FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Mann, AKP Wu, ZL Calaza, FC Overbury, SH AF Mann, Amanda K. P. Wu, Zili Calaza, Florencia C. Overbury, Steven H. TI Adsorption and Reaction of Acetaldehyde on Shape-Controlled CeO2 Nanocrystals: Elucidation of Structure-Function Relationships SO ACS CATALYSIS LA English DT Article DE CeO2 nanoshapes; structure dependence; acetaldehyde reaction; DRIFTS; temperature-programmed reaction; Aldol condensation; Cannizzaro disproportionation ID DEFINED SURFACE PLANES; STRUCTURE DEPENDENCE; OXIDE SURFACES; CO OXIDATION; CERIUM OXIDE; THIN-FILMS; CATALYSTS; FORMALDEHYDE; PATHWAYS; NANORODS AB CeO2 cubes with {100} facets, octahedra with {111} facets, and wires with highly defective structures were utilized to probe the structure-dependent reactivity of acetaldehyde. Using temperature-programmed desorption (TPD), temperature-programmed surface reactions (TPSR), and in situ infrared spectroscopy, it was determined that acetaldehyde desorbs unreacted or undergoes reduction, coupling, or C-C bond scission reactions, depending on the surface structure of CeO2. Room-temperature FTIR indicates that acetaldehyde binds primarily as eta(1)-acetaldehyde on the octahedra, in a variety of conformations on the cubes, including coupling products and acetate and enolate species, and primarily as coupling products on the wires. The percent consumption of acetaldehyde ranks in the following order: wires > cubes > octahedra. All the nanoshapes produce the coupling product crotonaldehyde; however, the selectivity to produce ethanol ranks in the following order: wires approximate to cubes >> octahedra. The selectivity and other differences can be attributed to the variation in the basicity of the surfaces, defects densities, coordination numbers of surface atoms, and the reducibility of the nanoshapes. C1 [Overbury, Steven H.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Overbury, SH (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM overburysh@ornl.gov RI Wu, Zili/F-5905-2012; Overbury, Steven/C-5108-2016 OI Wu, Zili/0000-0002-4468-3240; Overbury, Steven/0000-0002-5137-3961 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Science, U.S. Department of Energy FX This research is sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. Part of the work including synthesis, XRD, TEM, and SEM was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Science, U.S. Department of Energy. NR 56 TC 24 Z9 24 U1 16 U2 152 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD AUG PY 2014 VL 4 IS 8 BP 2437 EP 2448 DI 10.1021/cs500611g PG 12 WC Chemistry, Physical SC Chemistry GA AM6OF UT WOS:000339983800005 ER PT J AU Li, G Jiang, DE Kumar, S Chen, YX Jin, RC AF Li, Gao Jiang, De-en Kumar, Santosh Chen, Yuxiang Jin, Rongchao TI Size Dependence of Atomically Precise Gold Nanoclusters in Chemoselective Hydrogenation and Active Site Structure SO ACS CATALYSIS LA English DT Article DE Au nanocluster; water-soluble; hydrogenation; chemoselective; size dependence ID OPTICAL-PROPERTIES; SELECTIVE HYDROGENATION; AU-25 CLUSTERS; NANOPARTICLES; CATALYSTS; 4-NITROPHENOL; REDUCTION; OXIDATION; ALDEHYDES; LIGAND AB We investigate the catalytic properties of water-soluble Au-n(SG)(m) nanocluster catalysts (H-SG = glutathione) of different sizes, including Au-15(SG)(13), Au-18(SG)(14), Au-25(SG)(18), Au-38(SG)(24), and captopril-capped Au-25(Capt)(18) nanoclusters. These Au-n(SR)(m) nanoclusters (SR represents thiolate generally) are used as homogeneous catalysts (i.e., without supports) in the chemoselective hydrogenation of 4-nitrobenzaldehyde (4-NO2PhCHO) to 4-nitrobenzyl alcohol (4-NO2PhCH2OH) with similar to 100% selectivity in water using H-2 gas (20 bar) as the hydrogen source. These nanocluster catalysts, except Au-18(SG)(14), remain intact after the catalytic reaction, evidenced by UV-vis spectra, which are characteristic of nanoclusters of each size and thus serve as spectroscopic "fingerprints". We observe a drastic size dependence and steric effect of protecting ligands on the gold nanocluster catalysts in the hydrogenation reaction. Density functional theory (DFT) modeling of the 4-nitrobenzaldehyde adsorption shows that both the -CHO and -NO2 groups closely interact with the S-Au-S staples on the gold nanocluster surface. The adsorptions of the 4-nitrobenzaldehyde molecule on the four different sized Au-n(SR)(m) nanoclusters are moderately strong and similar in strength. The DFT results suggest that the catalytic activity of the Au-n(SR)(m) nanoclusters is primarily determined by the surface area of the Au nanocluster, consistent with the observed trend of the conversion of 4-nitrobenzaldehyde versus the cluster size. Overall, this work offers molecular insight into the hydrogenation of 4-nitrobenzaldehyde and the catalytically active site structure on gold nanocluster catalysts. C1 [Li, Gao; Kumar, Santosh; Chen, Yuxiang; Jin, Rongchao] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Jin, RC (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA. EM rongchao@andrew.cmu.edu RI Jiang, De-en/D-9529-2011 OI Jiang, De-en/0000-0001-5167-0731 FU U.S. Department of Energy Office of Basic Energy Sciences [DE-FG02-12ER16354]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work is financially supported by the U.S. Department of Energy Office of Basic Energy Sciences (Grant DE-FG02-12ER16354). The DFT calculations were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, and used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy (Grant DE-AC02-05CH11231). NR 40 TC 42 Z9 42 U1 15 U2 177 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD AUG PY 2014 VL 4 IS 8 BP 2463 EP 2469 DI 10.1021/cs500533h PG 7 WC Chemistry, Physical SC Chemistry GA AM6OF UT WOS:000339983800007 ER PT J AU Liu, HQ Koenigsmann, C Adzic, RR Wong, SS AF Liu, Haiqing Koenigsmann, Christopher Adzic, Radoslav R. Wong, Stanislaus S. TI Probing Ultrathin One-Dimensional Pd-Ni Nanostructures As Oxygen Reduction Reaction Catalysts SO ACS CATALYSIS LA English DT Article DE Pd-Ni; binary electrocatalyst; ORR; methanol tolerance; core-shell structure ID FUEL-CELL ELECTRODES; MONOLAYER ELECTROCATALYSTS; SURFACE SEGREGATION; ACID-MEDIUM; ALLOYS; PALLADIUM; NANOWIRES; METHANOL; PERFORMANCE; METAL AB An ambient, surfactant-based synthetic means was used to prepare ultrathin binary (d similar to 2 nm) Pd-Ni nanowires, which were subsequently purified using a novel butylamine-based surfactant-exchange process coupled with an electrochemical CO adsorption and stripping treatment to expose active surface sites. We were able to systematically vary the chemical composition of as-prepared Pd-Ni nanowires from pure elemental Pd to Pd0.50Ni0.50 (atomic ratio), as verified using EDS analysis. The overall morphology of samples possessing >60 atom % Pd consisted of individual, discrete one-dimensional nanowires. The electrocatalytic performances of elemental Pd, Pd0.90Ni0.10, Pd0.83Ni0.17, and Pd0.75Ni0.25 nanowires in particular were examined. Our results highlight a "volcano"-type relationship between chemical composition and corresponding ORR activities with Pd0.90Ni0.10, yielding the highest activity (i.e., 1.96 mA/cm(2) at 0.8 V) among all nanowires tested. Moreover, the Pd0.90Ni0.10 sample exhibited outstanding methanol tolerance ability. In essence, there was only a relatively minimal 15% loss in the specific activity in the presence of 4 mM methanol, which was significantly better than analogous data on Pt nanoparticles and Pt nanowires. In addition, we also studied ultrathin, core-shell Pt similar to Pd0.90Ni0.10 nanowires, which exhibited a specific activity of 0.62 mA/cm(2) and a corresponding mass activity of 1.44 A/mg(Pt), at 0.9 V. Moreover, our as-prepared core shell electrocatalysts maintained excellent electrochemical durability. We postulate that one-dimensional Pd-Ni nanostructures represent a particularly promising platform for designing ORR catalysts with high performance. C1 [Liu, Haiqing; Koenigsmann, Christopher; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM stanislaus.wong@stonybrook.edu FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886] FX Research (including funding for H.L., C.K., and S.S.W., and electrochemical experiments) was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. We also would like to thank M. B. Vukmirovic for technical assistance with electrochemical measurements at Brookhaven National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. NR 50 TC 34 Z9 34 U1 11 U2 137 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD AUG PY 2014 VL 4 IS 8 BP 2544 EP 2555 DI 10.1021/cs500125y PG 12 WC Chemistry, Physical SC Chemistry GA AM6OF UT WOS:000339983800017 ER PT J AU Martinez-Macias, C Xu, PH Hwang, SJ Lu, J Chen, CY Browning, ND Gates, BC AF Martinez-Macias, Claudia Xu, Pinghong Hwang, Son-Jong Lu, Jing Chen, Cong-Yan Browning, Nigel D. Gates, Bruce C. TI Iridium Complexes and Clusters in Dealuminated Zeolite HY: Distribution between Crystalline and Impurity Amorphous Regions SO ACS CATALYSIS LA English DT Article DE iridium; zeolite; scanning transmission electron microscopy; amorphous region of zeolite; supported metal catalyst ID Y-ZEOLITES; RHODIUM COMPLEXES; CO; CATALYSTS; ACIDITY; SUPPORT; ETHENE; IR AB Dealuminated zeolite HY was used to support Ir(CO)(2) complexes formed from Ir(CO)(2)(C5H7O2). Infrared and X-ray absorption spectra and atomic resolution electron microscopy images identify these complexes, and the images and (27)AI NMR spectra identify impurity amorphous regions in the zeolite where the iridium is more susceptible to aggregation than in the crystalline regions. The results indicate the value of electron microscopy in characterizing the amorphous impurity regions of zeolites and a significant stability limitation of metals in these regions of zeolite catalyst supports. C1 [Martinez-Macias, Claudia; Xu, Pinghong; Lu, Jing; Chen, Cong-Yan; Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, Nigel D.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Chen, Cong-Yan] Chevron Energy Technol Co, Richmond, CA 94708 USA. [Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. RP Gates, BC (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM bcgates@ucdavis.edu RI ID, MRCAT/G-7586-2011; OI Browning, Nigel/0000-0003-0491-251X FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences [DE-FG02-04ER15513, DE-FG02-03ER46057]; DOE [DE-AC05-76RL01830]; UC MEXUS-CONACYT; DOE by Argonne National Laboratory [DE-AC02-06CH11357]; National Science Foundation (NSF) [9724240]; NSF MRSEC Program [DMR-520565] FX This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Grants DE-FG02-04ER15513 (C.M.M.) and DE-FG02-03ER46057 (P.X.) through the University of California, Davis; the Laboratory Directed Research and Development Program: Chemical Imaging Initiative, at Pacific Northwest National Laboratory (PNNL); and the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL, a multiprogram national laboratory operated by Battelle for DOE under Contract DE-AC05-76RL01830. C.M.M. was supported in part by the UC MEXUS-CONACYT doctoral fellowship program. Use of the Advanced Photon Source, an Office of Science User Facility operated for DOE by Argonne National Laboratory, was supported by Contract No. DE-AC02-06CH11357. We thank the beamline staff of the MR-CAT. The NMR facility at Caltech was supported by the National Science Foundation (NSF) Grant 9724240 and supported in part by the NSF MRSEC Program Award DMR-520565. NR 22 TC 4 Z9 4 U1 2 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD AUG PY 2014 VL 4 IS 8 BP 2662 EP 2666 DI 10.1021/cs5006426 PG 5 WC Chemistry, Physical SC Chemistry GA AM6OF UT WOS:000339983800031 ER PT J AU Alia, SM Pylypenko, S Neyerlin, KC Cullen, DA Kocha, SS Pivovar, BS AF Alia, Shaun M. Pylypenko, Svitlana Neyerlin, K. C. Cullen, David A. Kocha, Shyam S. Pivovar, Bryan S. TI Platinum-Coated Cobalt Nanowires as Oxygen Reduction Reaction Electrocatalysts SO ACS CATALYSIS LA English DT Article DE oxygen reduction reaction; fuel cells; electrochemistry; galvanic displacement; extended surfaces ID FUEL-CELL; NANOTUBES; ALLOY; CATALYSTS AB Cobalt nanowires (CoNWs) are coated with platinum (Pt) by partial galvanic displacement, forming core/shell wires 200-300 nm in diameter and 100-200 pm in length. Pt-coated CoNWs (PtCoNWs) are characterized for activity in the oxygen reduction reaction (ORR) with rotating disk electrode half-cells in 0.1 M perchloric acid electrolytes. The resulting catalysts demonstrate ORR-specific activities in the range 2053-2783 mu A cm(Pt)(-2), comparable to the specific activity of polycrystalline Pt. The specific activities of PtCoNWs increase with decreasing Pt content and exhibit a corresponding increase in Pt lattice compression. PtCoNWs have exhibited a maximum mass activity of 793 mA mgPt(-1), 2.6 times greater than carbon-supported Pt nanoparticles. C1 [Alia, Shaun M.; Neyerlin, K. C.; Kocha, Shyam S.; Pivovar, Bryan S.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Pylypenko, Svitlana] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Cullen, David A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Pivovar, BS (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. EM bryan.pivovar@nrel.gov RI Cullen, David/A-2918-2015 OI Cullen, David/0000-0002-2593-7866 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC36-08GO28308] FX Financial support is provided by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, by Contract No. DE-AC36-08GO28308. NR 27 TC 19 Z9 19 U1 13 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD AUG PY 2014 VL 4 IS 8 BP 2680 EP 2686 DI 10.1021/cs500370q PG 7 WC Chemistry, Physical SC Chemistry GA AM6OF UT WOS:000339983800034 ER PT J AU Chatterjee, S Jones, EB Clingenpeel, AC McKenna, AM Rios, O McNutt, NW Keffer, DJ Johs, A AF Chatterjee, Sabornie Jones, Eric B. Clingenpeel, Amy C. McKenna, Amy M. Rios, Orlando McNutt, Nicholas W. Keffer, David J. Johs, Alexander TI Conversion of Lignin Precursors to Carbon Fibers with Nanoscale Graphitic Domains SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Lignin; Carbon fibers; Carbon materials; Fourier-transform ion cyclotron resonance; Neutron scattering ID RESOLUTION MASS-SPECTROMETRY; FT-ICR-MS; KRAFT LIGNIN; ANODES; BATTERIES; SPECTRA AB Lignin is one of the most abundant and inexpensive natural biopolymers. It can be efficiently converted to low cost carbon fiber, monolithic structures, or powders that could be used directly in the production of anodes for lithium-ion batteries. In this work, we report thermomechanical processing methods relevant for the conversion of lignin precursors into carbon fiber-based anode materials, the impact of lignin precursor modification on melt processing, and the microstructure of the final carbon material. Modification of softwood lignin produced functionalities and rheological properties that more closely resemble hardwood lignin thereby enabling the melt processing of softwood lignin in oxidative atmospheres (air). The conversion process encompasses melt spinning of the lignin precursor, oxidative stabilization, and a low temperature carbonization step in a nitrogen/hydrogen atmosphere. We determined resistivities of individual carbon fiber samples and characterized the microstructure by scanning electron microscopy. Neutron diffraction reveals nanoscale graphitic domains embedded in an amorphous carbon matrix. These unique structural characteristics make biomass-derived carbon fibers a suitable material for energy storage applications with enhanced electrochemical performance. C1 [Chatterjee, Sabornie; Johs, Alexander] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Jones, Eric B.; Rios, Orlando] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Clingenpeel, Amy C.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32304 USA. [McKenna, Amy M.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [McNutt, Nicholas W.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Keffer, David J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Chatterjee, S (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM chatterjees@ornl.gov; johsa@ornl.gov RI Rios, Orlando/E-6856-2017 OI Rios, Orlando/0000-0002-1814-7815 FU Laboratory Directed Research and Development Program of the Oak Ridge National Laboratory (ORNL); U.S. Department of Energy [DE-AC05-00OR22725] FX This research was supported by the Laboratory Directed Research and Development Program of the Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract No. DE-AC05-00OR22725. NR 43 TC 20 Z9 20 U1 13 U2 134 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD AUG PY 2014 VL 2 IS 8 BP 2002 EP 2010 DI 10.1021/sc500189p PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AM6NM UT WOS:000339981900010 ER PT J AU Yung, MC Jiao, YQ AF Yung, Mimi C. Jiao, Yongqin TI Biomineralization of Uranium by PhoY Phosphatase Activity Aids Cell Survival in Caulobacter crescentus SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ALKALINE-PHOSPHATASE; METAL ACCUMULATION; SUBSURFACE SOILS; U(VI) REDUCTION; BACTERIA; BIOPRECIPITATION; GENE; REMOVAL; CYCLE AB Caulobacter crescentus is known to tolerate high levels of uranium [U(VI)], but its detoxification mechanism is poorly understood. Here we show that C. crescentus is able to facilitate U(VI) biomineralization through the formation of U-Pi precipitates via its native alkaline phosphatase activity. The U-Pi precipitates, deposited on the cell surface in the form of meta-autunite structures, have a lower U/P-i ratio than do chemically produced precipitates. The enzyme that is responsible for the phosphatase activity and thus the biomineralization process is identified as PhoY, a periplasmic alkaline phosphatase with broad substrate specificity. Furthermore, PhoY is shown to confer a survival advantage on C. crescentus toward U(VI) under both growth and nongrowth conditions. Results obtained in this study thus highlight U(VI) biomineralization as a resistance mechanism in microbes, which not only improves our understanding of bacterium-mineral interactions but also aids in defining potential ecological niches for metal-resistant bacteria. C1 [Yung, Mimi C.; Jiao, Yongqin] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Biosci & Biotechnol Div, Livermore, CA 94550 USA. RP Jiao, YQ (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Biosci & Biotechnol Div, Livermore, CA 94550 USA. EM jiao1@llnl.gov OI Yung, Mimi/0000-0003-0534-0728 FU U.S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-JRNL-652320)]; Office of Biological and Environmental Sciences FX This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 (LLNL-JRNL-652320). This study was supported by a Department of Energy Early Career Research Program award from the Office of Biological and Environmental Sciences (to Y.J.). NR 48 TC 8 Z9 8 U1 2 U2 18 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2014 VL 80 IS 16 BP 4795 EP 4804 DI 10.1128/AEM.01050-14 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AM7IC UT WOS:000340038400002 PM 24878600 ER PT J AU Currie, DH Guss, AM Herring, CD Giannone, RJ Johnson, CM Lankford, PK Brown, SD Hettich, RL Lynd, LR AF Currie, D. H. Guss, A. M. Herring, C. D. Giannone, R. J. Johnson, C. M. Lankford, P. K. Brown, S. D. Hettich, R. L. Lynd, L. R. TI Profile of Secreted Hydrolases, Associated Proteins, and SlpA in Thermoanaerobacterium saccharolyticum during the Degradation of Hemicellulose SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID S-LAYER PROTEINS; GRAM-POSITIVE BACTERIA; BIOCHEMICAL-CHARACTERIZATION; CLOSTRIDIUM-THERMOHYDROSULFURICUM; ESCHERICHIA-COLI; BETA-XYLOSIDASE; STRAIN B6A-RI; SULFATASES; EXPRESSION; PROTEOME AB Thermoanaerobacterium saccharolyticum, a Gram-positive thermophilic anaerobic bacterium, grows robustly on insoluble hemicellulose, which requires a specialized suite of secreted and transmembrane proteins. We report here the characterization of proteins secreted by this organism. Cultures were grown on hemicellulose, glucose, xylose, starch, and xylan in pH-controlled bioreactors, and samples were analyzed via spotted microarrays and liquid chromatography-mass spectrometry. Key hydrolases and transporters employed by T. saccharolyticum for growth on hemicellulose were, for the most part, hitherto uncharacterized and existed in two clusters (Tsac_1445 through Tsac_1464 for xylan/xylose and Tsac_1344 through Tsac_1349 for starch). A phosphotransferase system subunit, Tsac_0032, also appeared to be exclusive to growth on glucose. Previously identified hydrolases that showed strong conditional expression changes included XynA (Tsac_1459), XynC (Tsac_0897), and a pullulanase, Apu (Tsac_1342). An omnipresent transcript and protein making up a large percentage of the overall secretome, Tsac_0361, was tentatively identified as the primary S-layer component in T. saccharolyticum, and deletion of the Tsac_0361 gene resulted in gross morphological changes to the cells. The view of hemicellulose degradation revealed here will be enabling for metabolic engineering efforts in biofuel-producing organisms that degrade cellulose well but lack the ability to catabolize C-5 sugars. C1 [Currie, D. H.; Guss, A. M.; Lynd, L. R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. [Currie, D. H.; Herring, C. D.; Lynd, L. R.] Mascoma Corp, Lebanon, NH USA. [Guss, A. M.; Giannone, R. J.; Johnson, C. M.; Lankford, P. K.; Brown, S. D.; Hettich, R. L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Lynd, LR (reprint author), Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. EM lee.r.lynd@dartmouth.edu RI Guss, Adam/A-6204-2011; Brown, Steven/A-6792-2011; Hettich, Robert/N-1458-2016 OI Guss, Adam/0000-0001-5823-5329; Brown, Steven/0000-0002-9281-3898; Hettich, Robert/0000-0001-7708-786X FU Mascoma Corporation, Lebanon, NH; BioEnergy Science Center (BESC); Oak Ridge National Laboratory; U.S. Department of Energy (DOE) Bioenergy Research Center - Office of Biological and Environmental Research in the DOE Office of Science FX This research was supported by Mascoma Corporation, Lebanon, NH, and a grant from the BioEnergy Science Center (BESC), Oak Ridge National Laboratory, a U.S. Department of Energy (DOE) Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 72 TC 8 Z9 8 U1 0 U2 20 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2014 VL 80 IS 16 BP 5001 EP 5011 DI 10.1128/AEM.00998-14 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AM7IC UT WOS:000340038400024 PM 24907337 ER PT J AU Ossenkoppele, R Madison, C Oh, H Wirth, M van Berckel, BNM Jagust, WJ AF Ossenkoppele, Rik Madison, Cindee Oh, Hwamee Wirth, Miranka van Berckel, Bart N. M. Jagust, William J. TI Is Verbal Episodic Memory in Elderly with Amyloid Deposits Preserved Through Altered Neuronal Function? SO CEREBRAL CORTEX LA English DT Article DE aging; [C-11]PIB; beta-amyloid; cognition; [F-18]FDG; glucose metabolism; PET ID PITTSBURGH COMPOUND-B; PRECLINICAL ALZHEIMERS-DISEASE; MILD COGNITIVE IMPAIRMENT; A-BETA DEPOSITION; OLDER-ADULTS; BRAIN ACTIVITY; GLUCOSE-METABOLISM; PET; DECLINE; RESERVE AB A potential mechanism that enables intellectual preservation in cognitively normal elderly that harbor beta-amyloid (A beta) pathology is heightened cerebral glucose metabolism. To investigate cross-sectional inter-relationships between A beta, glucose metabolism, and cognition, 81 subjects (mean age: 75 +/- 7 years) underwent [C-11]Pittsburgh Compound-B and [F-18]fluorodeoxyglucose positron emission tomography scans and neuropsychological testing. They were divided into low-A beta (n = 53), intermediate-A beta (n = 13) and high-A beta (n = 15) groups as defined by their global cortical [C-11]PIB retention. Glucose metabolism was assessed using a MetaROI mask that covers metabolically critical regions in Alzheimer's disease (AD) (i.e., posterior cingulate and bilateral angular and inferior temporal gyri). Previously validated factor scores for verbal and visual episodic memory, semantic memory, working memory, and executive functioning were used to evaluate cognitive performances. Greater A beta deposition in the precuneus was associated with higher metabolic activity (at trend level) and lower visual episodic memory scores. Glucose metabolism did not correlate with cognition across all subjects. However, heightened metabolic activity was associated with better verbal episodic memory performance in subjects with elevated amyloid levels. This preliminary study suggests that neural compensation, as a manifestation of brain reserve, enables elderly supposedly on the path to AD, at least temporarily, to preserve cognitive function. C1 [Ossenkoppele, Rik; Madison, Cindee; Oh, Hwamee; Wirth, Miranka; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Ossenkoppele, Rik; van Berckel, Bart N. M.] Vrije Univ Amsterdam Med Ctr, Dept Nucl Med & PET Res, NL-1007 MB Amsterdam, Netherlands. [Ossenkoppele, Rik] Vrije Univ Amsterdam Med Ctr, Dept Neurol, Amsterdam, Netherlands. [Ossenkoppele, Rik] Vrije Univ Amsterdam Med Ctr, Alzheimer Ctr, Amsterdam, Netherlands. [Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Ossenkoppele, R (reprint author), Vrije Univ Amsterdam Med Ctr, Dept Nucl Med & PET Res, POB 7057, NL-1007 MB Amsterdam, Netherlands. EM r.ossenkoppele@vumc.nl FU NIH [AG034570] FX This work was supported by NIH grant AG034570. NR 65 TC 5 Z9 5 U1 0 U2 1 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1047-3211 EI 1460-2199 J9 CEREB CORTEX JI Cereb. Cortex PD AUG PY 2014 VL 24 IS 8 BP 2210 EP 2218 DI 10.1093/cercor/bht076 PG 9 WC Neurosciences SC Neurosciences & Neurology GA AM7SL UT WOS:000340068500022 PM 23537530 ER PT J AU Lewis, CS Wang, L Liu, HQ Han, JK Wong, SS AF Lewis, Crystal S. Wang, Lei Liu, Haiqing Han, Jinkyu Wong, Stanislaus S. TI Synthesis, Characterization, and Formation Mechanism of Crystalline Cu and Ni Metallic Nanowires under Ambient, Seedless, Surfactant less Conditions SO CRYSTAL GROWTH & DESIGN LA English DT Article ID TRANSPARENT CONDUCTING FILMS; ULTRALONG COPPER NANOWIRES; LARGE-SCALE SYNTHESIS; NICKEL NANOPARTICLES; PHOTOCATALYTIC ACTIVITY; SINGLE-CRYSTAL; ASPECT-RATIO; MAGNETIC-PROPERTIES; AQUEOUS SUSPENSION; PERFORMANCE AB In this report, crystalline elemental Cu and Ni nanowires have been successfully synthesized through a simplistic, malleable, solution-based protocol involving the utilization of a U-tube double diffusion apparatus under ambient conditions. The nanowires prepared within the SO and 200 nm template membrane pore channels maintain diameters ranging from similar to 90-230 nm with lengths attaining the micrometer scale. To mitigate for the unwanted but very facile oxidation of these nanomaterials to their oxide analogues, our synthesis mechanism relies on a carefully calibrated reaction between the corresponding metal precursor solution and an aqueous reducing agent solution, resulting in the production of pure, monodisperse metallic nanostructures. These as-prepared nanowires were subsequently characterized from an applications' perspective so as to investigate their optical and photocatalytic properties. C1 [Lewis, Crystal S.; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Han, Jinkyu; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM stanislaus.wong@stonybrook.edu FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886] FX Research (including support for all authors) was provided by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Certain experiments in this manuscript, such as TEM and EELS, were performed in part at the Center for Functional Nanomaterials, located at Brookhaven National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. NR 79 TC 1 Z9 1 U1 2 U2 66 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD AUG PY 2014 VL 14 IS 8 BP 3825 EP 3838 DI 10.1021/cg500324j PG 14 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA AM7WW UT WOS:000340080400018 ER PT J AU Fowler, DA Pfeiffer, CR Teat, SJ Baker, GA Atwood, JL AF Fowler, Drew A. Pfeiffer, Constance R. Teat, Simon J. Baker, Gary A. Atwood, Jerry L. TI Solvent-Modulated Formation of "Pac-man" and Capsular Host-Guest Bilayers from a Dicationic Ionic Liquid and C-Butylpyrogallol[4]arene SO CRYSTAL GROWTH & DESIGN LA English DT Article ID COORDINATION CAGES; NANOCAPSULES; IMIDAZOLIUM; ENCAPSULATION; FERROCENE AB The pyrogallol[4]arenes have been shown to act as versatile host macrocycles for a wide variety of guest molecules, including the imidazolium-based cations of ionic liquids. This report demonstrates the use of alkyl-linked geminal dications in the design of bilayers comprising dimeric host guest complexes. The pivotal role of solvent choice in controlling the resultant solid-state structure is particularly highlighted. The synthesis and single-crystal X-ray diffraction structures of two dimeric host-guest cocrystals generated by the use of different solvents while employing identical host and guest species are presented to illustrate this point. In one solvent, a "Pac-man"-type dimeric host-guest complex is assembled into bilayer galleries. With a switch to an alternate crystallization solvent, a bilayer-type structure in which each layer is composed of alternating complexes of a capsule and two "offset dimers" is instead constructed. C1 [Fowler, Drew A.; Pfeiffer, Constance R.; Baker, Gary A.; Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Baker, GA (reprint author), Univ Missouri, Dept Chem, 601 South Coll Ave, Columbia, MO 65211 USA. EM bakergar@missouri.edu; atwoodj@missouri.edu RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 FU National Science Foundation; University of Missouri-Columbia; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX J.L.A thanks the National Science Foundation for funding. G.A.B. acknowledges start-up funding from the University of Missouri-Columbia used to support this work. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 33 TC 8 Z9 8 U1 3 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD AUG PY 2014 VL 14 IS 8 BP 4199 EP 4204 DI 10.1021/cg500793z PG 6 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA AM7WW UT WOS:000340080400058 ER PT J AU Quach, TT AF Tu-Thach Quach TI Extracting hidden messages in steganographic images SO DIGITAL INVESTIGATION LA English DT Article; Proceedings Paper CT 14th Annual DFRWS Conference (DFRWS) CY 2014 CL Denver, CO DE Steganography; Steganalysis; Payload location; Message extraction; Embedding key; Logical order AB The eventual goal of steganalytic forensic is to extract the hidden messages embedded in steganographic images. A promising technique that addresses this problem partially is steganographic payload location, an approach to reveal the message bits, but not their logical order. It works by finding modified pixels, or residuals, as an artifact of the embedding process. This technique is successful against simple least-significant bit steganography and group-parity steganography. The actual messages, however, remain hidden as no logical order can be inferred from the located payload. This paper establishes an important result addressing this shortcoming: we show that the expected mean residuals contain enough information to logically order the located payload provided that the size of the payload in each stego image is not fixed. The located payload can be ordered as prescribed by the mean residuals to obtain the hidden messages without knowledge of the embedding key, exposing an inherent vulnerability in these embedding algorithms. Experimental results are provided to support our analysis. (C) 2014 Digital Forensics Research Workshop. Published by Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Quach, TT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tong@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 17 TC 0 Z9 0 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-2876 EI 1873-202X J9 DIGIT INVEST JI Digit. Investig. PD AUG PY 2014 VL 11 SU 2 BP S40 EP S45 DI 10.1016/j.diin.2014.05,003 PG 6 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Computer Science GA AN0VB UT WOS:000340301000006 ER PT J AU Chadderdon, DJ Xin, L Qi, J Qiu, Y Krishna, P More, KL Li, WZ AF Chadderdon, David J. Xin, Le Qi, Ji Qiu, Yang Krishna, Phani More, Karren L. Li, Wenzhen TI Electrocatalytic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid on supported Au and Pd bimetallic nanoparticles SO GREEN CHEMISTRY LA English DT Article ID MEMBRANE FUEL-CELLS; SOLVENT-FREE OXIDATION; SELECTIVE OXIDATION; AEROBIC OXIDATION; PHASE OXIDATION; ANODE CATALYSTS; GLYCEROL; BIOMASS; GOLD; CHEMICALS AB This work explores the potential-dependent electrocatalytic oxidation of 5-hydroxymethylfurfural (HMF) in alkaline media over supported Au and Pd nanoparticies and demonstrates the synergistic effects of bimetallic Pd-Au catalysts for the selective formation of 2,5-furandicarboxylic acid (FDCA). Results from electrolysis product analysis at various electrode potentials, along with cyclic voltammetry of HMF and its oxidation intermediates, revealed the unique catalytic properties of Pd and Au for competitive oxidation of alcohol and aldehyde side-groups present in HMF. Aldehyde oxidation was greatly favored over alcohol oxidation on the Au/C catalyst, which was very active for HMF oxidation to 5-hydroxymethy1-2-furancarboxylic acid (HFCA), however high electrode potentials were required for further oxidation of the alcohol group to FDCA. HMF oxidation on Pd/C followed two competitive routes to FDCA and the pathway was dependent on the electrode potential. Oxidation of aldehyde groups occurred much slower on Pd/C than on Au/C at low potentials, but was greatly enhanced at increased potentials or by alloying with Au. It was found that Pd-Au bimetallic catalysts achieved deeply oxidized products (FFCA and FDCA) at lower potentials than monometallic catalysts and the product distribution was dependent on the electrode potential and surface alloy composition. Bimetallic catalysts with 2 :1 and 1: 2 Pd-Au molar ratios (Pd2Au1/C and Pd1Au2/C) exhibited advantages of both single components with facile alcohol and aldehyde group oxidation, resulting in greatly improved HMF conversion rate and selectivity to fully oxidized FDCA. C1 [Chadderdon, David J.; Xin, Le; Qi, Ji; Qiu, Yang; Krishna, Phani; Li, Wenzhen] Michigan Technol Univ, Dept Chem Engn, Houghton, MI 49931 USA. [More, Karren L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Chadderdon, DJ (reprint author), Michigan Technol Univ, Dept Chem Engn, 1400 Townsend Dr, Houghton, MI 49931 USA. EM wzli@mtu.edu RI More, Karren/A-8097-2016; OI More, Karren/0000-0001-5223-9097; Qi, Ji/0000-0002-4435-8181 FU US National Science Foundation [CBET-1159448]; Michigan Tech Research Excellence Fund [E49290]; Chinese Scholarship Council FX We acknowledge partial financial support from the US National Science Foundation (CBET-1159448) and Michigan Tech Research Excellence Fund (E49290). J. Qi is grateful to the Chinese Scholarship Council for support. NR 48 TC 21 Z9 23 U1 13 U2 118 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD AUG PY 2014 VL 16 IS 8 BP 3778 EP 3786 DI 10.1039/c4gc00401a PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AM7AL UT WOS:000340017000016 ER PT J AU Shi, J Balamurugan, K Parthasarathi, R Sathitsuksanoh, N Zhang, S Stavila, V Subramanian, V Simmons, BA Singh, S AF Shi, Jian Balamurugan, Kanagasabai Parthasarathi, Ramakrishnan Sathitsuksanoh, Noppadon Zhang, Sonny Stavila, Vitalie Subramanian, Venkatesan Simmons, Blake A. Singh, Seema TI Understanding the role of water during ionic liquid pretreatment of lignocellulose: co-solvent or anti-solvent? SO GREEN CHEMISTRY LA English DT Article ID ENZYMATIC SACCHARIFICATION; CELLULOSE REGENERATION; BIOMASS RECALCITRANCE; EUCALYPTUS-GLOBULUS; MOLECULAR-DYNAMICS; LIGNIN; SWITCHGRASS; SYSTEMS; DISSOLUTION; STRAW AB Biomass pretreatment with certain ionic liquids (IL) can be highly effective at generating a substrate that can be easily saccharified into fermentable sugars with high yields. In order to improve overall process economics, using mixtures of these ILs with water are more favored over the use of anhydrous IL; however, the solvent property of IL-water mixtures and correlations between cellulose digestibility, cellulose solvation and lignin depolymerization during IL-water pretreatment of lignocellulosic biomass are not well understood. We investigated pretreatment of switchgrass with mixtures of 1-ethyl-3-methylimidazolium acetate, [C(2)mim][OAc], and water at 160 degrees C. Results indicate that the chemical composition and crystallinity of the pretreated biomass, and the corresponding lignin dissolution and depolymerization, were dependent on [C(2)mim][OAd] concentration that correlated strongly with cellulose digestibility. In addition, the hydrogen bond basicity of the [C(2)mim][OAc]-water mixtures was found to be a good indicator of cellulose dissolution, lignin depolymerization, and sugar yields. Molecular dynamics simulations provided molecular level explanations on cellulose I-beta dissolution at different [C(2)mim][OAc]-water loadings. The knowledge gained from this study provides a better understanding of the duality of water as a co-solvent/anti-solvent in dissolving cellulose and serves as a design basis for the targeted design of IL-water mixtures that are effective at biomass pretreatment. C1 [Shi, Jian; Parthasarathi, Ramakrishnan; Sathitsuksanoh, Noppadon; Zhang, Sonny; Stavila, Vitalie; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [Shi, Jian; Parthasarathi, Ramakrishnan; Stavila, Vitalie; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA USA. [Balamurugan, Kanagasabai; Subramanian, Venkatesan] CSIR, Cent Leather Res Inst, Chem Lab, Madras 600020, Tamil Nadu, India. RP Shi, J (reprint author), Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. EM seesing@sandia.gov RI Parthasarathi, Ramakrishnan/C-2093-2008; sathitsuksanoh, noppadon/O-6305-2014; Kanagasabai, Balamurugan/H-1526-2012; OI Parthasarathi, Ramakrishnan/0000-0001-5417-5867; sathitsuksanoh, noppadon/0000-0003-1521-9155; Simmons, Blake/0000-0002-1332-1810 FU Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center (NERSC). We acknowledge Dr Ping Yu at UC Davis for conducting solid state NMR measurements and Taylor Cu for the assistance in lab work. NR 59 TC 28 Z9 28 U1 10 U2 115 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD AUG PY 2014 VL 16 IS 8 BP 3830 EP 3840 DI 10.1039/c4gc00373j PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AM7AL UT WOS:000340017000022 ER PT J AU Williams, TJ Allen, MA DeMaere, MZ Kyrpides, NC Tringe, SG Woyke, T Cavicchioli, R AF Williams, Timothy J. Allen, Michelle A. DeMaere, Matthew Z. Kyrpides, Nikos C. Tringe, Susannah G. Woyke, Tanja Cavicchioli, Ricardo TI Microbial ecology of an Antarctic hypersaline lake: genomic assessment of ecophysiology among dominant haloarchaea SO ISME JOURNAL LA English DT Article DE genomics; Antarctic microbial ecology; nutrient cycles; ecophysiology; ecotype ID DEHYDROGENASE MULTIENZYME COMPLEX; ARCHAEON THERMOPLASMA-ACIDOPHILUM; HALOFERAX-VOLCANII; GAS VESICLES; DEEP LAKE; HALOBACTERIUM-SALINARIUM; HALOPHILIC BACTERIUM; ABC-TRANSPORTER; VESTFOLD HILLS; SP-NOV AB Deep Lake in Antarctica is a cold, hypersaline system where four types of haloarchaea representing distinct genera comprise >70% of the lake community: strain tADL similar to 44%, strain DL31 similar to 18%, Halorubrum lacusprofundi similar to 10% and strain DL1 similar to 0.3%. By performing comparative genomics, growth substrate assays, and analyses of distribution by lake depth, size partitioning and lake nutrient composition, we were able to infer important metabolic traits and ecophysiological characteristics of the four Antarctic haloarchaea that contribute to their hierarchical persistence and coexistence in Deep Lake. tADL is characterized by a capacity for motility via flagella (archaella) and gas vesicles, a highly saccharolytic metabolism, a preference for glycerol, and photoheterotrophic growth. In contrast, DL31 has a metabolism specialized in processing proteins and peptides, and appears to prefer an association with particulate organic matter, while lacking the genomic potential for motility. H. lacusprofundi is the least specialized, displaying a genomic potential for the utilization of diverse organic substrates. The least abundant species, DL1, is characterized by a preference for catabolism of amino acids, and is the only one species that lacks genes needed for glycerol degradation. Despite the four haloarchaea being distributed throughout the water column, our analyses describe a range of distinctive features, including preferences for substrates that are indicative of ecological niche partitioning. The individual characteristics could be responsible for shaping the composition of the haloarchaeal community throughout the lake by enabling selection of ecotypes and maintaining sympatric speciation. C1 [Williams, Timothy J.; Allen, Michelle A.; DeMaere, Matthew Z.; Cavicchioli, Ricardo] Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia. [Kyrpides, Nikos C.; Tringe, Susannah G.; Woyke, Tanja] Dept Energy Joint Genome Inst, Walnut Creek, CA USA. RP Cavicchioli, R (reprint author), Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia. EM r.cavicchioli@unsw.edu.au OI Tringe, Susannah/0000-0001-6479-8427; DeMaere, Matthew/0000-0002-7601-5108; Kyrpides, Nikos/0000-0002-6131-0462 FU Australian Research Council; Australian Antarctic Science program; Australian Government; Office of Science of the United States Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Australian Research Council and the Australian Antarctic Science program and undertaken with the assistance of resources provided at the NCI National Facility systems at the Australian National University through the National Computational Merit Allocation Scheme supported by the Australian Government. The work conducted by the United States Department of Energy Joint Genome Institute is supported by the Office of Science of the United States Department of Energy under contract no. DE-AC02-05CH11231. We thank Bernhard Tschitschko for his assistance with growth studies. We warmly acknowledge the positive and constructive comments made by reviewers during the review process. NR 60 TC 16 Z9 16 U1 3 U2 48 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD AUG PY 2014 VL 8 IS 8 BP 1645 EP 1658 DI 10.1038/ismej.2014.18 PG 14 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA AM7FJ UT WOS:000340029800009 PM 24553470 ER PT J AU Devi, VM Benner, DC Kleiner, I Sams, RL Fletcher, LN AF Devi, V. Malathy Benner, D. Chris Kleiner, Isabelle Sams, Robert L. Fletcher, Leigh N. TI Line shape parameters of PH3 transitions in the Pentad near 4-5 mu m: Self-broadened widths, shifts, line mixing and speed dependence SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE PH3; Self-broadened widths; Self-shifts; Line mixing; Off-diagonal relaxation matrix elements; Speed-dependence; PH3 Pentad ID PURE ROTATIONAL SPECTRUM; N-2-BROADENING COEFFICIENTS; NU(4) BANDS; TEMPERATURE-DEPENDENCE; MULTISPECTRUM ANALYSIS; FITTING TECHNIQUE; ROOM-TEMPERATURE; PHOSPHINE LINES; HALF-WIDTHS; V(4) BANDS AB Accurate knowledge of spectroscopic line parameters of PH3 is important for remote sensing of the outer planets, especially Jupiter and Saturn. In a recent study, line positions and intensities for the Pentad bands of PH3 have been reported from analysis of high-resolution, high signal-to noise room-temperature spectra recorded with two Fourier transform spectrometers (2014) W. The results presented in this study were obtained during the analysis of positions and intensities, but here we focus on the measurements of spectral line shapes (e.g. widths, shifts, line mixing) for the 2v(4), v(2) + v(4), v(1) and v(3) bands. A multispectrum nonlinear least squares curve fitting technique employing a non-Voigt line shape to include line mixing and speed dependence of the Lorentz width was employed to fit the spectra simultaneously. The least squares fittings were performed on five room-temperature spectra recorded at various PH3 pressures (similar to 2-50 Torr) with the Bruker IFS-125HR Fourier transform spectrometer (FTS) located at the Pacific Northwest National Laboratory (PNNL), in Richland, Washington. Over 840 Lorentz self-broadened half-width coefficients, 620 self-shift coefficients and 185 speed dependence parameters were measured. Line mixing was detected for transitions in the 2v(4), v(1) and v(3) bands, and their values were quantified for 10 A+A- pairs of transitions via off-diagonal relaxation matrix element formalism. The dependences of the measured half-width coefficients on the J and K rotational quanta of the transitions are discussed. The self-width coefficients for the v(1) and v(3) bands from this study are compared to the self-width coefficients for transitions with the same rotational quanta U, K) reported for the Dyad (v(2) and v(4)) bands. The measurements from present study should be useful for the development of a reliable theoretical modeling of pressure-broadened widths, shifts and line mixing in symmetric top molecules with C-3v symmetry in general, and of PH3 in particular. (C) 2014 Elsevier Inc. All rights reserved. C1 [Devi, V. Malathy; Benner, D. Chris] Coll William & Mary, Dept Phys, Williamsburg, VA 23185 USA. [Kleiner, Isabelle] Univ Paris Est & Diderot, LISA, CNRS IPSL, UMR 7583, F-94010 Creteil, France. [Sams, Robert L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Fletcher, Leigh N.] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. RP Devi, VM (reprint author), Coll William & Mary, Dept Phys, Box 8795, Williamsburg, VA 23185 USA. EM malathy.d.venkataraman@nasa.gov RI Fletcher, Leigh/D-6093-2011 OI Fletcher, Leigh/0000-0001-5834-9588 FU United States Department of Energy; Battelle Memorial Institute [DEACO5-76RL0 1830]; Royal Society Research Fellowship at the University of Oxford FX NASA's Outer Planet Research Program supported the work performed at the College of William and Mary. The United States Department of Energy supported part of this research and was conducted at the W.R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by the Battelle Memorial Institute under Contract DEACO5-76RL0 1830. L.N. Fletcher was supported by a Royal Society Research Fellowship at the University of Oxford. Malathy Devi expresses her sincere thanks to Dr. L.R. Brown for the many useful discussions and suggestions she had on the various topics presented in this work. NR 46 TC 1 Z9 1 U1 2 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-2852 EI 1096-083X J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD AUG PY 2014 VL 302 BP 17 EP 33 DI 10.1016/j.jms.2014.06.003 PG 17 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA AM7CF UT WOS:000340021600004 ER PT J AU Bui-Nguyen, TM Dennis, WE Jackson, DA Stallings, JD Lewis, JA AF Bui-Nguyen, Tri M. Dennis, William E. Jackson, David A. Stallings, Jonathan D. Lewis, John A. TI Detection of Dichlorvos Adducts in a Hepatocyte Cell Line SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE dichlorvos; HepaRG; protein adduct; organophosphate pesticide ID ACTIVE-SITE SERINE; GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; MASS-SPECTROMETRY; INDUCED APOPTOSIS; ORGANOPHOSPHORUS AGENTS; GENE-EXPRESSION; HUMAN ALBUMIN; FP-BIOTIN; IN-VITRO; EXPOSURE AB The toxicity of dichlorvos (DDVP), an organophosphate (OP) pesticide, classically results from modification of the serine in the active sites of cholinesterases. However, DDVP also forms adducts on unrelated targets such as transferrin and albumin, suggesting that DDVP could cause perturbations in cellular processes by modifying noncholinesterase targets. Here we identify novel DDVP-modified targets in lysed human hepatocyte-like cells (HepaRG) using a direct liquid chromatography mass spectrometry (LC-MS) assay of cell lysates incubated with DDVP or using a competitive pull-down experiments with a biotin-linked organophosphorus compound (10-fluoroethoxyphosphinyl-N-biotinamidopentyldecanamide; FP-biotin), which competes with DDVP for similar binding sites. We show that DDVP forms adducts to several proteins important for the cellular metabolic pathways and differentiation, including glyceraldehyde-3-phosphate dehydrogenase (GAPDH) and actin. We validated the results using purified proteins and enzymatic assays. The study not only identified novel DDVP-modified targets but also suggested that the modification directly inhibits the enzymes. The current approach provides information for future hypothesis-based studies to understand the underlying mechanism of toxicity of DDVP in non-neuronal tissues. The MS data have been deposited to the ProteomeXchange with identifier PXD001107. C1 [Bui-Nguyen, Tri M.] US Army Ctr Environm Hlth Res, ORISE, Ft Detrick, MD 21702 USA. [Dennis, William E.; Jackson, David A.; Stallings, Jonathan D.; Lewis, John A.] US Army Ctr Environm Hlth Res, Ft Detrick, MD 21702 USA. RP Lewis, JA (reprint author), US Army Ctr Environm Hlth Res, 568 Doughten Dr, Ft Detrick, MD 21702 USA. EM john.a.lewis1@us.army.mil OI Stallings, Jonathan/0000-0002-6430-5888 FU Military Operational Medicine Research Program of the U.S. Army Medical Research and Materiel Command; U.S. Army Center for Environmental Health Research FX We thank Alan Rosencrance for quantitative analysis of dichlorvos stocks and media and the PRIDE team for assistance in uploading the mass spectral data. The research was supported by the Military Operational Medicine Research Program of the U.S. Army Medical Research and Materiel Command. Opinions, interpretations, conclusions, and recommendations are those of the authors and are not necessarily endorsed by the U.S. Army. Citations of commercial organizations or trade names in this report do not constitute an official Department of the Army endorsement or approval of the products or services of these organizations. This research was partially supported by an appointment to the Postgraduate Research Participation Program at the U.S. Army Center for Environmental Health Research administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and USAMRMC. NR 50 TC 1 Z9 1 U1 2 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD AUG PY 2014 VL 13 IS 8 BP 3583 EP 3595 DI 10.1021/pr5000076 PG 13 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AM6OD UT WOS:000339983600009 PM 24978939 ER PT J AU Zhao, DB Wang, XJ Peng, JH Wang, CY Li, FD Sun, QQ Zhang, YB Zhang, JH Cai, G Zuo, XB Wu, JH Shi, YY Zhang, ZY Gong, QG AF Zhao, Debiao Wang, Xuejuan Peng, Junhui Wang, Chongyuan Li, Fudong Sun, Qianqian Zhang, Yibo Zhang, Jiahai Cai, Gang Zuo, Xiaobing Wu, Jihui Shi, Yunyu Zhang, Zhiyong Gong, Qingguo TI Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE CAP; Focal adhesion; Proline-rich peptide; Tandem SH3 domains; Vinculin ID PROLINE-RICH PEPTIDES; CELL-MATRIX ADHESIONS; CYTOSKELETAL ORGANIZATION; SH3-LIGAND INTERACTIONS; MOLECULAR-INTERACTIONS; DIPOLAR COUPLINGS; BINDING PROTEINS; FOCAL ADHESIONS; GENERAL-MODEL; NMR SYSTEM AB c-Cbl-associated protein (CAP) is an important cytoskeletal adaptor protein involved in the regulation of adhesion turnover. The interaction between CAP and vinculin is critical for the recruitment of CAP to focal adhesions. The tandem SH3 domains (herein termed SH3a and SH3b) of CAP are responsible for its interaction with vinculin. However, the structural mechanism underlying the interaction between CAP and vinculin is poorly understood. In this manuscript, we report the solution structure of the tandem SH3 domains of CAP. Our NMR and ITC data indicate that the SH3a and SH3b domains of CAP simultaneously bind to a long proline-rich region of vinculin with different binding specificities. Furthermore, the crystal structures of the individual SH3a and SH3b domains complexed with their substrate peptides indicate that Q807(SH3a) and D881(SH3b) are the critical residues determining the different binding specificities of the SH3 domains. Based on the obtained structural information, a model of the SH3ab-vinculin complex was generated using MD simulation and SAXS data. (C) 2014 Elsevier Inc. All rights reserved. C1 [Zhao, Debiao; Wang, Xuejuan; Peng, Junhui; Wang, Chongyuan; Li, Fudong; Sun, Qianqian; Zhang, Yibo; Zhang, Jiahai; Cai, Gang; Wu, Jihui; Shi, Yunyu; Zhang, Zhiyong; Gong, Qingguo] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Zhao, Debiao; Wang, Xuejuan; Peng, Junhui; Wang, Chongyuan; Li, Fudong; Sun, Qianqian; Zhang, Yibo; Zhang, Jiahai; Cai, Gang; Wu, Jihui; Shi, Yunyu; Zhang, Zhiyong; Gong, Qingguo] Univ Sci & Technol China, Sch Life Sci, Hefei 230026, Anhui, Peoples R China. [Zuo, Xiaobing] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60349 USA. RP Zhang, ZY (reprint author), Univ Sci & Technol China, Sch Life Sci, Hefei 230026, Anhui, Peoples R China. EM zzyzhang@ustc.edu.cn; qgg@ustc.edu.cn RI Cai, Gang/B-1103-2012 OI Cai, Gang/0000-0001-8622-3907 FU U.S. DOE [DE-AC02-06CH11357]; National Basic Research Program of China [2011CB911104, 2013CB910200]; Chinese National Natural Science Foundation [31170693, 31270760] FX We gratefully thank Professor Ke Ruan and Dr. Jianping Liu and Chao He for helpful suggestion and discussion in RDC experiments; Dr. Lei Liu, Yu Qiu, Su Qin, Zhenwei Song and Peng Ji for help in NMR structure calculation; Dr. Minhao Wu for help in crystal structure refinement. We thank the staff at BL17U of Shanghai Synchrotron Radiation Facilities (SSRF) for assistance with X-ray data collection. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.This work was financially supported by National Basic Research Program of China (2011CB911104 and 2013CB910200), Chinese National Natural Science Foundation (Grant 31170693 and 31270760). "Outstanding Technical Talent" project of the Chinese Academy of Sciences. Fundamental Research Funds for the Central Universities (WK2070000017 and WK2070000020). NR 63 TC 1 Z9 2 U1 1 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 EI 1095-8657 J9 J STRUCT BIOL JI J. Struct. Biol. PD AUG PY 2014 VL 187 IS 2 BP 194 EP 205 DI 10.1016/j.jsb.2014.05.009 PG 12 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA AM9QY UT WOS:000340217300010 PM 24878663 ER PT J AU Unocic, RR Sun, XG Sacci, RL Adamczyk, LA Alsem, DH Dai, S Dudney, NJ More, KL AF Unocic, Raymond R. Sun, Xiao-Guang Sacci, Robert L. Adamczyk, Leslie A. Alsem, Daan Hein Dai, Sheng Dudney, Nancy J. More, Karren L. TI Direct Visualization of Solid Electrolyte Interphase Formation in Lithium-Ion Batteries with In Situ Electrochemical Transmission Electron Microscopy SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE electrochemical liquid cell; in situ TEM; solid electrolyte interphase; lithium-ion batteries ID SURFACE-CHEMISTRY; SNO2 NANOWIRE; LIQUID; GRAPHITE; GROWTH; INTERCALATION; MECHANISMS; ANODES; MODEL; PERFORMANCE AB Complex, electrochemically driven transport processes form the basis of electrochemical energy storage devices. The direct imaging of electrochemical processes at high spatial resolution and within their native liquid electrolyte would significantly enhance our understanding of device functionality, but has remained elusive. In this work we use a recently developed liquid cell for in situ electrochemical transmission electron microscopy to obtain insight into the electrolyte decomposition mechanisms and kinetics in lithium-ion (Li-ion) batteries by characterizing the dynamics of solid electrolyte interphase (SEI) formation and evolution. Here we are able to visualize the detailed structure of the SEI that forms locally at the electrode/electrolyte interface during lithium intercalation into natural graphite from an organic Li-ion battery electrolyte. We quantify the SEI growth kinetics and observe the dynamic self-healing nature of the SEI with changes in cell potential. C1 [Unocic, Raymond R.; More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sun, Xiao-Guang; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Sacci, Robert L.; Adamczyk, Leslie A.; Dudney, Nancy J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Alsem, Daan Hein] Hummingbird Sci, Lacey, WA 98516 USA. RP Unocic, RR (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM unocicrr@ornl.gov RI More, Karren/A-8097-2016; Dudney, Nancy/I-6361-2016; Dai, Sheng/K-8411-2015; OI More, Karren/0000-0001-5223-9097; Dudney, Nancy/0000-0001-7729-6178; Dai, Sheng/0000-0002-8046-3931; Unocic, Raymond/0000-0002-1777-8228 FU Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, US Department of Energy (DOE); Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US DOE; Oak Ridge National Laboratory's Center for NanophaseMaterials Sciences (CNMS); Scientific User Facilities Division, BES- DOE; ORNL's Alvin M. Weinberg Early Career Fellowship Program FX This research was supported by the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, US Department of Energy (DOE) (R. R. U. and K. L. M. (in situ TEM)) for the development of the in situ electrochemical TEM characterization system and by the Fluid Interface Reactions Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the Office of Basic Energy Sciences (BES)- DOE (R. L. S., L. A. A., and N. J. D. (for electrochemistry studies)). Additional support was provided by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US DOE (X. S. and S. D. (for electrochemistry studies)). The research was also supported as part of a user proposal by Oak Ridge National Laboratory's Center for NanophaseMaterials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, BES- DOE. R. R. U. acknowledges support from ORNL's Alvin M. Weinberg Early Career Fellowship Program in the early stages of this study. NR 38 TC 12 Z9 12 U1 9 U2 131 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2014 VL 20 IS 4 BP 1029 EP 1037 DI 10.1017/S1431927614012744 PG 9 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AN0FR UT WOS:000340259800008 PM 24994021 ER PT J AU Patterson, BM Henderson, K Gilbertson, RD Tornga, S Cordes, NL Chavez, ME Smith, Z AF Patterson, Brian M. Henderson, Kevin Gilbertson, Robert D. Tornga, Stephanie Cordes, Nikolaus L. Chavez, Manuel E. Smith, Zachary TI Morphological and Performance Measures of Polyurethane Foams Using X-Ray CT and Mechanical Testing SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE cellular foams; material processing; mechanical properties; PU foam; X-Ray micro computed tomography ID IN-SITU; TOMOGRAPHY; BEHAVIOR; MICROTOMOGRAPHY; DEFORMATION; PROPERTY AB Meso-scale structure in polymeric foams determines the mechanical properties of the material. Density variations, even more than variations in the anisotropic void structure, can greatly vary the compressive and tensile response of the material. With their diverse use as both a structural material and space filler, polyurethane (PU) foams are widely studied. In this manuscript, quantitative measures of the density and anisotropic structure are provided by using micro X-ray computed tomography (microCT) to better understand the results of mechanical testing. MicroCT illustrates the variation in the density, cell morphology, size, shape, and orientation in different regions in blown foam due to the velocity profile near the casting surface. "Interrupted" in situ imaging of the material during compression of these sub-regions indicates the pathways of the structural response to the mechanical load and the changes in cell morphology as a result. It is found that molded PU foam has a 6 mm thick "skin" of higher density and highly eccentric morphological structure that leads to wide variations in mechanical performance depending upon sampling location. This comparison is necessary to understand the mechanical performance of the anisotropic structure. C1 [Patterson, Brian M.; Henderson, Kevin; Gilbertson, Robert D.; Tornga, Stephanie; Cordes, Nikolaus L.; Chavez, Manuel E.; Smith, Zachary] Los Alamos Natl Lab, Div Mat Sci & Technol, Polymers & Coating Grp, Los Alamos, NM 87545 USA. RP Patterson, BM (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Polymers & Coating Grp, POB 1663,MS E549, Los Alamos, NM 87545 USA. EM bpatterson@lanl.gov OI Cordes, Nikolaus/0000-0003-3367-5592; Patterson, Brian/0000-0001-9244-7376 FU Los Alamos National Security LLC [DE-AC52-06NA25396]; Enhanced Surveillance Campaign, Tom Zocco, Program Manager FX Los Alamos National Laboratory is operated by Los Alamos National Security LLC under contract number DE-AC52-06NA25396 for the US Department of Energy. Funding for this research was provided by the Enhanced Surveillance Campaign, Tom Zocco, Program Manager. The authors wish to also acknowledge John Martinez and Blaine Randolph for machining samples and technical feedback from LeRoy Whinnery from Sandia National Laboratory. NR 26 TC 1 Z9 1 U1 4 U2 30 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2014 VL 20 IS 4 BP 1284 EP 1293 DI 10.1017/S1431927614000993 PG 10 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AN0FR UT WOS:000340259800035 PM 24845035 ER PT J AU Zaluzec, NJ AF Zaluzec, Nestor J. TI Analytical Formulae for Calculation of X-Ray Detector Solid Angles in the Scanning and Scanning/Transmission Analytical Electron Microscope SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE solid angle; XEDS; microanalysis; STEM; TEM; SEM; SDD; SiLi; X-ray detectors; EDS; EDXS AB Closed form analytical equations used to calculate the collection solid angle of six common geometries of solid-state X-ray detectors in scanning and scanning/transmission analytical electron microscopy are presented. Using these formulae one can make realistic comparisons of the merits of the different detector geometries in modern electron column instruments. This work updates earlier formulations and adds new detector configurations. C1 Argonne Natl Lab, Ctr Electron Microscopy, Argonne, IL 60440 USA. RP Zaluzec, NJ (reprint author), Argonne Natl Lab, Ctr Electron Microscopy, Argonne, IL 60440 USA. EM Zaluzec@aaem.amc.anl.gov FU US DoE, Office of Basic Energy Sciences at the Electron Microscopy Center of Argonne National Laboratory [DE-AC02-06CH11357] FX This work was supported by the US DoE, Office of Basic Energy Sciences, Contract No. DE-AC02-06CH11357 at the Electron Microscopy Center of Argonne National Laboratory. NR 24 TC 13 Z9 13 U1 1 U2 16 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2014 VL 20 IS 4 BP 1318 EP 1326 DI 10.1017/S1431927614000956 PG 9 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AN0FR UT WOS:000340259800039 PM 24848939 ER PT J AU Kim, JH Chun, HY Sharman, RD Trier, SB AF Kim, Jung-Hoon Chun, Hye-Yeong Sharman, Robert D. Trier, Stanley B. TI The Role of Vertical Shear on Aviation Turbulence within Cirrus Bands of a Simulated Western Pacific Cyclone SO MONTHLY WEATHER REVIEW LA English DT Article ID CLEAR-AIR TURBULENCE; MESOSCALE CONVECTIVE SYSTEM; UPPER-LEVEL OUTFLOW; CLOUD BANDS; MODEL; ENVIRONMENT; WEATHER; MECHANISMS AB At 0300 UTC 9 September 2010, commercial aircraft traveling between Tokyo and Hawaii encountered regions of moderate and severe intensity turbulence at about 12-km elevation in or just above banded structures in the cirrus anvil associated with an oceanic cyclone located off the east coast of Japan. The generation mechanisms of the cirrus bands and turbulence are investigated using the Advanced Research Weather Research and Forecasting Model with five nested domains having a finest horizontal grid spacing of 370 m. The simulation reproduces the satellite-observed patterns of cloud brightness, including the bands, and suggests that synoptic-scale vertical shear within the anvil cloud layer and radiative effects, including long-wave cooling at cloud top and warming at cloud base, act together to produce banded structures within the southern edge of the cirrus cloud shield. The character of the bands within the nearly neutral or convectively unstable layer of the cirrus shield is similar to boundary layer rolls in that the vertical wind shear vectors are nearly parallel to the cirrus bands. The strong vertical shear aligned with the banded convection leads to flow deformations and mixing near the cloud top, resulting in localized moderate and severe turbulence. The estimated maximum value of the cube root of eddy dissipation rate within the bands is similar to 0.7 m(2/3) s(-1), consistent with severe turbulence levels experienced by large aircraft. C1 [Kim, Jung-Hoon] Oak Ridge Associated Univ, NASA, Ames Res Ctr, Moffett Field, CA USA. [Kim, Jung-Hoon; Chun, Hye-Yeong] Yonsei Univ, Dept Atmospher Sci, Seoul 120749, South Korea. [Sharman, Robert D.; Trier, Stanley B.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Kim, JH (reprint author), NASA, Aviat Syst Div, Ames Res Ctr, Mail Code 210-10, Moffett Field, CA 94035 USA. EM jung-hoon.kim@nasa.gov FU Korean Meteorological Administration Research and Development Program [CATER_2012-2011]; NOAA [NA-09NWS4670001]; Federal Aviation Administration (FAA) Aviation Weather Research Program FX This work was supported by the Korean Meteorological Administration Research and Development Program under Grant CATER_2012-2011 (HYC and JHK), NOAA Grant NA-09NWS4670001, and by the Federal Aviation Administration (FAA) Aviation Weather Research Program (RDS and SBT). The views expressed are those of the authors and do not necessarily represent the official policy or position of the FAA. The authors thank Melissa Thomas (Delta Air Lines) for a helpful review of a previous version of the manuscript and for informative discussions concerning real-time observations of the relation of cirrus bands to aviation turbulence. The authors also appreciate the informative comments from two anonymous reviewers, which helped clarify aspects of the paper. NR 44 TC 5 Z9 5 U1 3 U2 6 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD AUG PY 2014 VL 142 IS 8 BP 2794 EP 2813 DI 10.1175/MWR-D-14-00008.1 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AM6YZ UT WOS:000340013200013 ER PT J AU Ma, RM Ota, S Li, YM Yang, S Zhang, X AF Ma, Ren-Min Ota, Sadao Li, Yimin Yang, Sui Zhang, Xiang TI Explosives detection in a lasing plasmon nanocavity SO NATURE NANOTECHNOLOGY LA English DT Article ID ENHANCED RAMAN-SPECTROSCOPY; SENSING APPLICATIONS; SURFACE; NANOPARTICLES; SCATTERING; NANOLASER; POLYMERS; LASERS; VAPOR; FILM AB Perhaps the most successful application of plasmonics to date has been in sensing, where the interaction of a nanoscale localized field with analytes leads to high-sensitivity detection in real time and in a label-free fashion(1-9). However, all previous designs have been based on passively excited surface plasmons, in which sensitivity is intrinsically limited by the low quality factors induced by metal losses. It has recently been proposed theoretically that surface plasmon sensors with active excitation (gain-enhanced) can achieve much higher sensitivities due to the amplification of the surface plasmons(10-12). Here, we experimentally demonstrate an active plasmon sensor that is free of metal losses and operating deep below the diffraction limit for visible light. Loss compensation leads to an intense and sharp lasing emission that is ultrasensitive to adsorbed molecules. We validated the efficacy of our sensor to detect explosives in air under normal conditions and have achieved a sub-part-per-billion detection limit, the lowest reported to date for plasmonic sensors(7,13-18) with 2,4-dinitrotoluene and ammonium nitrate. The selectivity between 2,4-dinitrotoluene, ammonium nitrate and nitrobenzene is on a par with other state-of-the-art explosives detectors(19,20). Our results show that monitoring the change of the lasing intensity is a superior method than monitoring the wavelength shift, as is widely used in passive surface plasmon sensors. We therefore envisage that nanoscopic sensors that make use of plasmonic lasing could become an important tool in security screening and biomolecular diagnostics. C1 [Ma, Ren-Min; Ota, Sadao; Li, Yimin; Yang, Sui; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ma, RM (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Li, Yimin/F-5821-2012; Zhang, Xiang/F-6905-2011; Yang, Sui /H-4417-2016 FU US Air Force Office of Scientific Research (AFOSR) [FA9550-12-1-0197] FX The authors acknowledge financial support from the US Air Force Office of Scientific Research (AFOSR, grant no. FA9550-12-1-0197). NR 33 TC 40 Z9 40 U1 21 U2 130 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD AUG PY 2014 VL 9 IS 8 BP 600 EP 604 DI 10.1038/NNANO.2014.135 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AM8PS UT WOS:000340140100012 PM 25038780 ER PT J AU Bertelli, N Jaeger, EF Hosea, JC Phillips, CK Berry, L Gerhardt, SP Green, D LeBlanc, B Perkins, RJ Ryan, PM Taylor, G Valeo, EJ Wilson, JR AF Bertelli, N. Jaeger, E. F. Hosea, J. C. Phillips, C. K. Berry, L. Gerhardt, S. P. Green, D. LeBlanc, B. Perkins, R. J. Ryan, P. M. Taylor, G. Valeo, E. J. Wilson, J. R. TI Full wave simulations of fast wave heating losses in the scrape-off layer of NSTX and NSTX-U SO NUCLEAR FUSION LA English DT Article DE fast wave; heating losses; scrape-off layer ID DEVICE AB Full wave simulations of fusion plasmas show a direct correlation between the location of the fast-wave cut-off, radiofrequency (RF) field amplitude in the scrape-off layer (SOL) and the RF power losses in the SOL observed in the National Spherical Torus eXperiment (NSTX). In particular, the RF power losses in the SOL increase significantly when the launched waves transition from evanescent to propagating in that region. Subsequently, a large amplitude electric field occurs in the SOL, driving RF power losses when a proxy collisional loss term is added. A 3D reconstruction of absorbed power in the SOL is presented showing agreement with the RF experiments in NSTX. Loss predictions for the future experiment NSTX-Upgrade (NSTX-U) are also obtained and discussed. C1 [Bertelli, N.; Hosea, J. C.; Phillips, C. K.; Gerhardt, S. P.; LeBlanc, B.; Perkins, R. J.; Taylor, G.; Valeo, E. J.; Wilson, J. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN 37830 USA. [Berry, L.; Green, D.; Ryan, P. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bertelli, N (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM nbertell@pppl.gov FU SciDAC Center for Wave-Plasma Interactions [DE-FC02-01ER54648]; US DOE [DE-AC02-CH0911466] FX This work was supported by the SciDAC Center for Wave-Plasma Interactions under DE-FC02-01ER54648 and the US DOE under DE-AC02-CH0911466. NR 12 TC 15 Z9 15 U1 1 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083004 DI 10.1088/0029-5515/54/8/083004 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600008 ER PT J AU Burrell, KH Grierson, BA Solomon, WM Belli, EA AF Burrell, K. H. Grierson, B. A. Solomon, W. M. Belli, E. A. TI Comparison of measured impurity poloidal rotation in DIII-D with neoclassical predictions under low toroidal field conditions SO NUCLEAR FUSION LA English DT Article DE tokamak; transport experiment; poloidal rotation; neoclassical theory ID EXCHANGE RECOMBINATION SPECTROSCOPY; ARBITRARY COLLISIONALITY; BOOTSTRAP CURRENT; JT-60U TOKAMAK; TRANSPORT; CONFINEMENT; EXCITATION; TURBULENCE; VELOCITY; PLASMA AB Predictive understanding of plasma transport is a long-term goal of fusion research. This requires testing models of plasma rotation including poloidal rotation. The present experiment was motivated by recent poloidal rotation measurements on spherical tokamaks (NSTX and MAST) which showed that the poloidal rotation of C+6 is much closer to the neoclassical prediction than reported results in larger aspect ratio machines such as TFTR, DIII-D, JT-60U and JET working at significantly higher toroidal field and ion temperature. We investigated whether the difference in aspect ratio (1.44 on NSTX versus 2.7 on DIII-D) could explain this. We measured C+6 poloidal rotation in DIII-D under conditions which matched, as best possible, those in the NSTX experiment; we matched plasma current (0.65 MA), on-axis toroidal field (0.55 T), minor radius (0.6 m), and outer flux surface shape as well as the density and temperature profiles. DIII-D results from this work also show reasonable agreement with neoclassical theory. Accordingly, the different aspect ratio does not explain the previously mentioned difference in poloidal rotation results. C1 [Burrell, K. H.; Belli, E. A.] Gen Atom Co, San Diego, CA 92186 USA. [Grierson, B. A.; Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Burrell, KH (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. OI Solomon, Wayne/0000-0002-0902-9876 FU US Department of Energy [DE-FC02-04ER54698, DE-AC02-09CH11466] FX This work was supported by the US Department of Energy under DE-FC02-04ER54698, and DE-AC02-09CH11466. We thank R.E. Bell for fruitful discussions of the NSTX results. NR 38 TC 3 Z9 3 U1 2 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083020 DI 10.1088/0029-5515/54/8/083020 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600024 ER PT J AU Chapman, IT Becoulet, M Bird, T Canik, J Cianciosa, M Cooper, WA Evans, T Ferraro, N Fuchs, C Gryaznevich, M Gribov, Y Ham, C Hanson, J Huijsmans, G Kirk, A Lazerson, S Liang, Y Lupelli, I Moyer, RA Nuhrenberg, C Orain, F Orlov, D Suttrop, W Yadykin, D AF Chapman, I. T. Becoulet, M. Bird, T. Canik, J. Cianciosa, M. Cooper, W. A. Evans, T. Ferraro, N. Fuchs, C. Gryaznevich, M. Gribov, Y. Ham, C. Hanson, J. Huijsmans, G. Kirk, A. Lazerson, S. Liang, Y. Lupelli, I. Moyer, R. A. Nuehrenberg, C. Orain, F. Orlov, D. Suttrop, W. Yadykin, D. CA ASDEX Upgrade Team DIII-D Team MAST Team NSTX Team EFDA-JET Contributors TI Three-dimensional distortions of the tokamak plasma boundary: boundary displacements in the presence of resonant magnetic perturbations SO NUCLEAR FUSION LA English DT Article DE boundary displacement; resonant magnetic perturbation; non-axisymmetry ID EDGE-LOCALIZED MODES; PHYSICS; PEDESTAL; ITER; STABILITY AB The three-dimensional plasma boundary displacements induced by applied non-axisymmetric magnetic perturbations have been measured in ASDEX Upgrade, DIII-D, JET, MAST and NSTX. The displacements arising from applied resonant magnetic perturbations (RMPs) are measured up to +/- 5% of the minor radius in present-day machines. Good agreement can be found between different experimental measurements and a range of models-be it vacuum field line tracing, ideal three-dimensional MHD equilibrium modelling, or nonlinear plasma amplification. The agreement of the various experimental measurements with the different predictions from these models is presented, and the regions of applicability of each discussed. The measured displacement of the outboard boundary from various machines is found to correlate approximately linearly with the applied resonant field predicted by vacuum modelling (though it should be emphasized that one should not infer that vacuum modelling accurately predicts the displacement inside the plasma). The RMP-induced displacements foreseen in ITER are expected to lie within the range of those predicted by the different models, meaning less than +/- 1.75% (+/- 3.5 cm) of the minor radius in the H-mode baseline and less than +/- 2.5% (+/- 5 cm) in a 9MA plasma. Whilst a displacement of 7 cm peak-to-peak in the baseline scenario is marginally acceptable from both a plasma control and heat loading perspective, it is important that ITER adopts a plasma control system which can account for a three-dimensional boundary corrugation to avoid an n = 0 correction which would otherwise locally exacerbate the displacement caused by the applied fields. C1 [Chapman, I. T.; Gryaznevich, M.; Ham, C.; Kirk, A.; Lupelli, I.] Culham Sci Ctr, CCFE Fus Assoc, EURATOM, Abingdon OX14 3DB, Oxon, England. [Becoulet, M.; Orain, F.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Bird, T.; Nuehrenberg, C.] EURATOM, Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Canik, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Cianciosa, M.; Hanson, J.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Cooper, W. A.] Ecole Polytech Fed Lausanne, CRPP, Assoc EURATOM Confederat Suisse, CH-1015 Lausanne, Switzerland. [Evans, T.; Ferraro, N.] Gen Atom Co, San Diego, CA 92186 USA. [Fuchs, C.; Suttrop, W.] EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Gribov, Y.; Huijsmans, G.] ITER Org, F-13115 St Paul Les Durance, France. [Lazerson, S.] Princeton Univ, PPPL, Princeton, NJ 08543 USA. [Liang, Y.] Forschungszentrum Julich, D-52425 Julich, Germany. [Moyer, R. A.; Orlov, D.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Yadykin, D.] Chalmers, EURATOM, VR Assoc, S-41296 Gothenburg, Sweden. RP Chapman, IT (reprint author), Culham Sci Ctr, CCFE Fus Assoc, EURATOM, Abingdon OX14 3DB, Oxon, England. EM ian.chapman@ccfe.ac.uk RI Orain, Francois/L-6816-2015; Lazerson, Samuel/E-4816-2014; Orlov, Dmitriy/D-2406-2016; EPFL, Physics/O-6514-2016; OI Lazerson, Samuel/0000-0001-8002-0121; Orlov, Dmitriy/0000-0002-2230-457X; Lupelli, Ivan/0000-0001-5053-1502; Canik, John/0000-0001-6934-6681 FU RCUK Energy Programme [EP/I501045]; European Communities; US Department of Energy [DE-AC02-09CH11466, DE-FG02-07ER54917, DE-AC05-00OR22725, DE-FC03-04ER54698, DE-FG02-03ER54692, DE-FG02-95ER54309] FX This work was conducted in part under the auspices of the ITPA MHD Stability Topical Group. This work was part-funded by the RCUK Energy Programme [grant number EP/I501045]; the European Communities under the contract of Association between EURATOM and CCFE, CEA, IPP, CRPP, FZJ and VR; and US Department of Energy under DE-AC02-09CH11466, DE-FG02-07ER54917, DE-AC05-00OR22725, DE-FC03-04ER54698, DE-FG02-03ER54692 and DE-FG02-95ER54309. To obtain further information on the data and models underlying this paper please contact PublicationsManager@ccfe.ac.uk. The views and opinions expressed herein do not necessarily reflect those of the European Commission or the ITER Organization. This work was carried out within the framework of the European Fusion Development Agreement. NR 65 TC 26 Z9 26 U1 2 U2 35 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083006 DI 10.1088/0029-5515/54/8/083006 PG 17 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600010 ER PT J AU Chapman, IT Brunetti, D Buratti, P Cooper, WA Graves, JP Harrison, JR Holgate, J Jardin, S Sabbagh, SA Tritz, K AF Chapman, I. T. Brunetti, D. Buratti, P. Cooper, W. A. Graves, J. P. Harrison, J. R. Holgate, J. Jardin, S. Sabbagh, S. A. Tritz, K. CA MAST Team NSTX Team EFDA-JET Contributors TI Three-dimensional distortions of the tokamak plasma boundary: boundary displacements in the presence of saturated MHD instabilities SO NUCLEAR FUSION LA English DT Article DE non-axisymmetry; 3d displacements; saturated MHD instabilities ID NEOCLASSICAL TEARING MODES; HIGH-BETA; DIII-D; WALL; ITER; STABILITY AB The three-dimensional plasma boundary displacement induced by long-lasting core magnetohydrodynamic (MHD) instabilities has been measured in JET, MAST and NSTX. Only saturated instabilities are considered here since transient rapidly growing modes which degrade confinement and act as potential triggers for disruptions bring more fundamental concerns than boundary displacements. The measured displacements are usually small, although in extreme cases in MAST when the rotation braking is strong, a significant global displacement can be observed. The instability most likely to saturate and exist for many energy confinement times whilst distorting the boundary of ITER is the saturated internal kink, or helical core, which can be found in plasmas with a wide region of low magnetic shear such as the hybrid scenario. This mode can lead to non-negligible boundary displacements. Nonetheless, the boundary displacement resultant from core MHD instabilities in ITER is predicted to be less than +/- 1.5% of the minor radius, well within tolerable limits for heat loads to plasma-facing components. C1 [Chapman, I. T.; Harrison, J. R.; Holgate, J.] Culham Sci Ctr, CCFE Fus Assoc, EURATOM, Abingdon OX14 3DB, Oxon, England. [Brunetti, D.; Cooper, W. A.; Graves, J. P.] Ecole Polytech Fed Lausanne, CRPP, Assoc EURATOM Confederat Suisse, CH-1015 Lausanne, Switzerland. [Buratti, P.] CR Frascati, Assoc EURATOM ENEA Fus, Rome, Italy. [Holgate, J.] Univ Cambridge, Cavendish Lab, Dept Phys, Cambridge CB3 0HE, England. [Jardin, S.] Princeton Univ, PPPL, Princeton, NJ 08543 USA. [Sabbagh, S. A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY USA. [Tritz, K.] Johns Hopkins Univ, Baltimore, MD USA. RP Chapman, IT (reprint author), Culham Sci Ctr, CCFE Fus Assoc, EURATOM, Abingdon OX14 3DB, Oxon, England. EM ian.chapman@ccfe.ac.uk RI EPFL, Physics/O-6514-2016 FU RCUK Energy Programme [EP/I501045]; European Communities; US Department of Energy [DE-AC02-09CH11466, DE-FG02-09ER55012, DE-FG02-99ER54524] FX This work was conducted under the auspices of the ITPA MHD Stability Topical Group. This work was partly funded by the RCUK Energy Programme (grant number EP/I501045); the European Communities under the contract of Association between EURATOM and CCFE, CRPP and ENEA; and US Department of Energy under DE-AC02-09CH11466, DE-FG02-09ER55012 and DE-FG02-99ER54524. To obtain further information on the data and models underlying this paper please contact PublicationsManager@ccfe.ac.uk. The views and opinions expressed herein do not necessarily reflect those of the European Commission. This work was carried out within the framework of the European Fusion Development Agreement. NR 35 TC 11 Z9 11 U1 1 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083007 DI 10.1088/0029-5515/54/8/083007 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600011 ER PT J AU Chen, X Kramer, GJ Heidbrink, WW Fisher, RK Pace, DC Petty, CC Podesta, M Van Zeeland, MA AF Chen, Xi Kramer, G. J. Heidbrink, W. W. Fisher, R. K. Pace, D. C. Petty, C. C. Podesta, M. Van Zeeland, M. A. TI Non-linear wave-particle interactions and fast ion loss induced by multiple Alfven eigenmodes in the DIII-D tokamak SO NUCLEAR FUSION LA English DT Article DE non-linear; energetic particles; multi-wave particle interactions ID CASCADES; PLASMAS; DRIVEN; MODES AB A new non-linear feature has been observed in fast-ion loss from tokamak plasmas in the form of oscillations at the sum, difference and second harmonic frequencies of two independent Alfven eigenmodes (AEs). Full orbit calculations and analytic theory indicate this non-linearity is due to coupling of fast-ion orbital response as it passes through each AE-a change in wave-particle phase k.r by one mode alters the force exerted by the next. The loss measurement is of barely confined, non-resonant particles, while similar non-linear interactions can occur between well-confined particles and multiple AEs leading to enhanced fast-ion transport. C1 [Chen, Xi; Heidbrink, W. W.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Kramer, G. J.; Podesta, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Fisher, R. K.; Pace, D. C.; Petty, C. C.; Van Zeeland, M. A.] Gen Atom Co, San Diego, CA 92186 USA. RP Chen, X (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. EM chenxi@fusion.gat.com FU US Department of Energy [DE-FG03-94ER54271, DE-AC02-09CH11466, DE-FC02-04ER54698] FX This work was supported by the US Department of Energy under DE-FG03-94ER54271, DE-AC02-09CH11466 and DE-FC02-04ER54698. The authors thank the DIII-D Team for their support and Professor L. Chen, Dr R. Nazikian and Dr M.E. Austin for their help. NR 24 TC 4 Z9 4 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083005 DI 10.1088/0029-5515/54/8/083005 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600009 ER PT J AU Gao, C Rice, JE Sun, HJ Reinke, ML Howard, NT Mikkelson, D Hubbard, AE Chilenski, MA Walk, JR Hughes, JW Ennever, PC Porkolab, M White, AE Sung, C Delgado-Aparicio, L Baek, SG Rowan, WL Brookman, MW Greenwald, MJ Granetz, RS Wolfe, SW Marmar, ES AF Gao, C. Rice, J. E. Sun, H. J. Reinke, M. L. Howard, N. T. Mikkelson, D. Hubbard, A. E. Chilenski, M. A. Walk, J. R. Hughes, J. W. Ennever, P. C. Porkolab, M. White, A. E. Sung, C. Delgado-Aparicio, L. Baek, S. G. Rowan, W. L. Brookman, M. W. Greenwald, M. J. Granetz, R. S. Wolfe, S. W. Marmar, E. S. CA Alcator C-Mod Team TI Non-local heat transport in Alcator C-Mod ohmic L-mode plasmas SO NUCLEAR FUSION LA English DT Article DE non-local; plasma rotation; Alcator C-Mod; heat transport ID PERTURBATIVE TRANSPORT; TORE-SUPRA; IMPROVED CONFINEMENT; ENERGY CONFINEMENT; TEMPERATURE RISE; FUSION PLASMAS; ASDEX UPGRADE; TOKAMAK; DISCHARGES; SYSTEM AB Non-local heat transport experiments were performed in Alcator C-Mod ohmic L-mode plasmas by inducing edge cooling with laser blow-off impurity (CaF2) injection. The non-local effect, a cooling of the edge electron temperature with a rapid rise of the central electron temperature, which contradicts the assumption of 'local' transport, was observed in low collisionality linear ohmic confinement (LOC) regime plasmas. Transport analysis shows this phenomenon can be explained either by a fast drop of the core diffusivity, or the sudden appearance of a heat pinch. In high collisionality saturated ohmic confinement (SOC) regime plasmas, the thermal transport becomes 'local': the central electron temperature drops on the energy confinement time scale in response to the edge cooling. Measurements from a high resolution imaging x-ray spectrometer show that the ion temperature has a similar behaviour as the electron temperature in response to edge cooling, and that the transition density of non-locality correlates with the rotation reversal critical density. This connection may indicate the possible connection between thermal and momentum transport, which is also linked to a transition in turbulence dominance between trapped electron modes (TEMs) and ion temperature gradient (ITG) modes. Experiments with repetitive cold pulses in one discharge were also performed to allow Fourier analysis and to provide details of cold front propagation. These modulation experiments showed in LOC plasmas that the electron thermal transport is not purely diffusive, while in SOC the electron thermal transport is more diffusive like. Linear gyrokinetic simulations suggest the turbulence outside r/a = 0.75 changes from TEM dominance in LOC plasmas to ITG mode dominance in SOC plasmas. C1 [Gao, C.; Rice, J. E.; Reinke, M. L.; Howard, N. T.; Hubbard, A. E.; Chilenski, M. A.; Walk, J. R.; Hughes, J. W.; Ennever, P. C.; Porkolab, M.; White, A. E.; Sung, C.; Baek, S. G.; Greenwald, M. J.; Granetz, R. S.; Wolfe, S. W.; Marmar, E. S.; Alcator C-Mod Team] MIT, Cambridge, MA 02139 USA. [Sun, H. J.] Natl Fus Res Inst, World Class Inst, Ctr Fus Theory, Taejon 305333, South Korea. [Sun, H. J.] South Western Inst Phys, Chengdu 610041, Peoples R China. [Mikkelson, D.; Delgado-Aparicio, L.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Rowan, W. L.; Brookman, M. W.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. RP Gao, C (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM cgao@psfc.mit.edu OI Gao, Chi/0000-0001-8826-6556; Greenwald, Martin/0000-0002-4438-729X FU MIT by DoE [DE-FC02-99ER54512] FX The authors thank J. Irby for electron density measurements, C. Fiore for neutron measurements, R. Parker, I. Hutchinson and J. Irby for physics operations and the Alcator C-Mod operations group for expert running of the tokamak. Work supported at MIT by DoE Contract No DE-FC02-99ER54512 and in part by an appointment to the US DOE Fusion Energy Postdoctoral Research Program administered by ORISE. Computer simulations using GYRO were carried out on the MIT PSFC parallel AMD Opteron/Infiniband cluster Loki. Power balance and profile calculations were performed using TRANSP on the PPPL Unix cluster. NR 61 TC 8 Z9 9 U1 1 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083025 DI 10.1088/0029-5515/54/8/083025 PG 14 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600029 ER PT J AU Gerhardt, SP Canik, JM Maingi, R Battaglia, D Bell, RE Guttenfelder, W LeBlanc, BP Smith, DR Yuh, H Sabbagh, S AF Gerhardt, S. P. Canik, J. M. Maingi, R. Battaglia, D. Bell, R. E. Guttenfelder, W. LeBlanc, B. P. Smith, D. R. Yuh, H. Sabbagh, S. TI Progress in understanding the enhanced pedestal H-mode in NSTX SO NUCLEAR FUSION LA English DT Article DE EP H-mode; H-mode; NSTX; spherical torus ID SPHERICAL TORUS EXPERIMENT; DIII-D TOKAMAK; HIGH-CONFINEMENT; VH-MODE; ASPECT-RATIO; C-MOD; PLASMA; TRANSPORT; FACILITY; ELM AB This paper describes the enhanced pedestal (EP) H-mode observed in the National Spherical Torus Experiment (NSTX). The defining characteristics of EP H-mode are given, namely (i) transition after the L- to H-mode transition, (ii) region of very steep ion temperature gradient, and (iii) associated region of strong rotational shear. A newly observed long-pulse EP H-mode example shows quiescent behaviour for as long as the heating and current drive sources are maintained. Cases are shown where the region of steep ion temperature gradient is located at the very edge, and cases where it is shifted up to 10 cm inward from the plasma edge; these cases are united by a common dependence of the ion temperature gradient on the toroidal rotation frequency shear. EP H-mode examples have been observed across a wide range of q(95) and pedestal collisionality. No strong changes in the fluctuation amplitudes have been observed following the EP H-mode transition, and transport analysis indicates that the ion thermal transport is comparable to or less than anticipated from a simple neoclassical transport model. Cases are shown where EP H-modes were reliably generated, though these low-q(95) examples were difficult to sustain. A case where an externally triggered edge localized mode (ELM) precipitates the transition to EP H-mode is also shown, though an initial experiment designed to trigger EP H-modes in this fashion was unsuccessful. C1 [Gerhardt, S. P.; Maingi, R.; Battaglia, D.; Bell, R. E.; Guttenfelder, W.; LeBlanc, B. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Canik, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Smith, D. R.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Yuh, H.] Nova Photon, Princeton, NJ 08540 USA. [Sabbagh, S.] Columbia Univ, Dept Appl Phys, New York, NY 10027 USA. RP Gerhardt, SP (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM sgerhard@pppl.gov OI Canik, John/0000-0001-6934-6681 FU United States Department of Energy (DoE) [DE-AC02-09CH11466] FX This research was funded by the United States Department of Energy (DoE) under contract DE-AC02-09CH11466; it was largely conducted as part of the FY2013 DoE Joint Research Target (JRT) on the physics of high-performance operating regimes without large ELMs. The authors would like to acknowledge helpful discussions with Stan Kaye. NR 92 TC 3 Z9 3 U1 0 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083021 DI 10.1088/0029-5515/54/8/083021 PG 19 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600025 ER PT J AU Kim, HS Jeon, YM Na, YS Ghim, YC Ahn, JW Yoon, SW Bak, JG Bae, YS Kim, JS Joung, M Jeong, JH Hong, SH Kim, KM Suzuki, T Kim, WC Kwak, JG AF Kim, H. -S. Jeon, Y. M. Na, Y. -S. Ghim, Y. -c. Ahn, J. -W. Yoon, S. W. Bak, J. G. Bae, Y. S. Kim, J. S. Joung, M. Jeong, J. -H. Hong, S. H. Kim, K. M. Suzuki, T. Kim, W. C. Kwak, J. -G. CA KSTAR Team TI Characteristics of global energy confinement in KSTAR L- and H-mode plasmas SO NUCLEAR FUSION LA English DT Article DE KSTAR; global energy confinement time; multi-machine scaling; confinement enhancement; L-mode; H-mode; regression analysis ID NEUTRAL-BEAM; DOUBLET-III; TOKAMAK; DISCHARGES; ITER; TRANSPORT; DATABASE; REGIME; ASDEX AB We evaluate the characteristics of global energy confinement in KSTAR (tau(E, KSTAR)) quantitatively in three ways; firstly by comparing it with multi-machine scalings, secondly by deriving multiple regression equations for the L- and the H-mode plasmas, respectively, and lastly by comparing confinement enhancement of the H-mode phase with respect to the L-mode phase in each discharge defined as H-exp. The KSTAR database exhibits tau(E, KSTAR) of similar to 0.04 to similar to 0.16 s and of similar to 0.06 to similar to 0.19 s in L-mode and in H-mode plasmas, respectively. The multiple regression equations derived by statistical analysis present the similar dependency on P-L and higher dependency on I-p compared with the multi-machine scalings, however the dependency on kappa in both L- and H-mode plasmas draw the negative power dependency of kappa(-0.68) and kappa(-0.76) for H-mode and for L-mode database, respectively on the contrary to the positive dependency in all multi-machine empirical scalings. It is found that the energy confinement of both L-mode and H-mode of the discharges with H-exp > 1.5 can be well-predicted by multi-machine scalings, tau(E, 89L) and tau(E, 92H). Apart from this, the H-mode confinement with 1.5 < H-exp < 2.0 is well-predicted by using the multi-machine empirical L-mode scaling tau(E, 89L). C1 [Kim, H. -S.; Na, Y. -S.] Seoul Natl Univ, Dept Nucl Engn, Seoul, South Korea. [Jeon, Y. M.; Yoon, S. W.; Bak, J. G.; Bae, Y. S.; Kim, J. S.; Joung, M.; Jeong, J. -H.; Hong, S. H.; Kwak, J. -G.] Natl Fus Res Inst, Taejon, South Korea. [Ghim, Y. -c.] Korea Adv Inst Sci & Technol, Dept Nucl & Quantum Engn, Taejon 305701, South Korea. [Ahn, J. -W.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Kim, K. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Suzuki, T.] Japan Atom Energy Agcy, Naka, Ibaraki, Japan. [Kim, W. C.] ITER Org, St Paul Les Durance, France. RP Kim, HS (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul, South Korea. EM ysna@snu.ac.kr RI Ghim, Young-chul/A-4365-2009 OI Ghim, Young-chul/0000-0003-4123-9416 FU National R&D Program through the National Research Foundation of Korea (NRF) - Ministry of Science, ICT & Future Planning [2013036099]; R&D Program through the National Fusion Research Institute of Korea (NFRI) - Government funds FX This research was supported by National R&D Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (No. 2013036099) and the R&D Program through the National Fusion Research Institute of Korea (NFRI) funded by the Government funds. NR 20 TC 1 Z9 1 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083012 DI 10.1088/0029-5515/54/8/083012 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600016 ER PT J AU Miyamoto, S Isayama, A Bandyopadhyay, I Jardin, SC Khayrutdinov, RR Lukash, VE Kusama, Y Sugihara, M AF Miyamoto, S. Isayama, A. Bandyopadhyay, I. Jardin, S. C. Khayrutdinov, R. R. Lukash, V. E. Kusama, Y. Sugihara, M. TI Inter-code comparison benchmark between DINA and TSC for ITER disruption modelling SO NUCLEAR FUSION LA English DT Article DE code benchmark; DINA; TSC; disruption; halo current; ITER ID HALO CURRENTS; TOKAMAK; SIMULATION; PLASMA; TRANSPORT AB Results of 2D disruption modelling for validation of benchmark ITER scenarios using two established codes-DINA and TSC, are compared. Although the simulation models employed in those two codes ought to be equivalent in the resistive time scale, quite different defining equations and formulations are adopted in their approaches. Moreover there are considerable differences in the implemented model of solid conducting structures placed on the periphery of the plasma such as the vacuum vessel and blanket modules. Thus it has long been unanswered whether the one of the two codes is really able to reproduce the other's results correctly, since a large number of code-wise differences render the comparison task exceedingly complicated. In this paper, it is demonstrated that after the simulations are set up accounting for the model differences, a reasonably good agreement is generally obtained, corroborating the correctness of the code results. When the halo current generation and its poloidal path in the first wall are included, however, the situation is more complicated. Because of the surface averaged treatment of the magnetic field (current density) diffusion equation, DINA can only approximately handle the poloidal electric currents in the first wall that cross the field lines. Validation is carried out for DINA simulations of the halo current generation by comparing with TSC simulations, where the treatment of halo current dynamics is more justifiable. The specific details of each code, affecting the consequence in ITER disruption prediction, are highlighted and discussed. C1 [Miyamoto, S.; Isayama, A.; Kusama, Y.] Japan Atom Energy Agcy, Naka Fus Inst, Naka, Ibaraki 3110193, Japan. [Bandyopadhyay, I.] ITER India, Inst Plasma Res, Bhat, Gandhinagar, India. [Jardin, S. C.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Khayrutdinov, R. R.; Lukash, V. E.] NRC Kurchatov Inst, Inst Tokamak Phys, Moscow 123182, Russia. [Sugihara, M.] ITER Org, F-13115 St Paul Les Durance, France. RP Miyamoto, S (reprint author), Res Org Informat Sci & Technol, 2-4 Shirakata, Tokai, Ibaraki, Japan. EM seiji.miyamoto@iferc.org NR 18 TC 4 Z9 4 U1 3 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083002 DI 10.1088/0029-5515/54/8/083002 PG 19 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600006 ER PT J AU Prater, R Moeller, CP Pinsker, RI Porkolab, M Meneghini, O Vdovin, VL AF Prater, R. Moeller, C. P. Pinsker, R. I. Porkolab, M. Meneghini, O. Vdovin, V. L. TI Application of very high harmonic fast waves for off-axis current drive in the DIII-D and FNSF-AT tokamaks SO NUCLEAR FUSION LA English DT Article DE current drive; fast wave; tokamak ID LOWER-HYBRID FREQUENCY; GENERATION; TRANSPORT AB Fast waves at frequencies far above the ion cyclotron frequency and approaching the lower hybrid frequency (also called 'helicons' or 'whistlers') have application to off-axis current drive in tokamaks with high electron beta. The high frequency causes the whistler-like behaviour of the wave power nearly following field lines, but with a small radial component, so the waves spiral slowly towards the plasma centre. The high frequency also contributes to strong damping. Modelling predicts robust off-axis current drive with good efficiency compared to alternatives in high performance discharges in DIII-D and Fusion Nuclear Science Facility (FNSF) when the electron beta is above about 1.8%. Detailed analysis of ray behaviour shows that ray trajectories and damping are deterministic (that is, not strongly affected by plasma profiles or initial ray conditions), unlike the chaotic ray behaviour in lower frequency fast wave experiments. Current drive was found to not be sensitive to the launched value of the parallel index of refraction n(parallel to), so wave accessibility issues can be reduced. Use of a travelling wave antenna provides a very narrow n(parallel to)spectrum, which also helps avoid accessibility problems. C1 [Prater, R.; Moeller, C. P.; Pinsker, R. I.; Porkolab, M.] Gen Atom, San Diego, CA 92186 USA. [Meneghini, O.] Oak Ridge Inst Sci Educ, Oak Ridge, TN 37830 USA. [Vdovin, V. L.] Kurchatov Inst, Moscow 123182, Russia. RP Prater, R (reprint author), Gen Atom, POB 85608, San Diego, CA 92186 USA. EM prater@fusion.gat.com FU US Department of Energy [DE-FC02-04ER54698, DE-AC05-06OR23100] FX This work was supported in part by the US Department of Energy under DE-FC02-04ER54698 and DE-AC05-06OR23100. NR 32 TC 16 Z9 16 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083024 DI 10.1088/0029-5515/54/8/083024 PG 13 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600028 ER PT J AU White, AE Barnes, M Dominguez, A Greenwald, M Howard, NT Hubbard, AE Hughes, JW Mikkelsen, DR Parra, FI Reinke, ML Sung, C Walk, J Whyte, DG AF White, A. E. Barnes, M. Dominguez, A. Greenwald, M. Howard, N. T. Hubbard, A. E. Hughes, J. W. Mikkelsen, D. R. Parra, F. I. Reinke, M. L. Sung, C. Walk, J. Whyte, D. G. TI Reduction of core turbulence in I-mode plasmas in Alcator C-Mod SO NUCLEAR FUSION LA English DT Article DE I-mode; H-mode; core turbulence; edge turbulence; core transport; confinement transition ID ALPHA H-MODE; DIII-D; VELOCITY SHEAR; TRANSPORT; FLUCTUATIONS; TOKAMAK; EDGE AB In this paper, we report observations of reduced core (0.40 < rho < 0.95) fluctuations in the edge localized mode (ELM)free high-confinement regime, I-mode, at Alcator C-Mod (Marmar et al 2009 Nucl. Fusion 49 104014). Long wavelength (k(theta)rho(s) < 0.5) density fluctuation levels are observed to decrease from L-mode levels by up to 30% in I-mode, while long wavelength (k(theta)rho(s) < 0.3) electron temperature fluctuation levels are observed to decrease by up to 70% in I-mode. This reduction in core turbulence is correlated with the increases in confinement in I-mode compared to L-mode. As the pedestal temperature increases across the L-I transition, core density fluctuations (0.40 < rho < 0.95) are reduced prior to the onset of the edge-localized (rho similar to 0.99-1.0) weakly coherent mode (WCM) and prior to the reduction of low-frequency (rho similar to 0.99-1.0) turbulence in the edge/pedestal region. This result helps add to our understanding of the dynamics of confinement transitions such as I-mode and H-mode, where changes in edge turbulence are more typically observed to occur prior to changes in core turbulence. C1 [White, A. E.; Barnes, M.; Greenwald, M.; Howard, N. T.; Hubbard, A. E.; Hughes, J. W.; Parra, F. I.; Sung, C.; Walk, J.; Whyte, D. G.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Dominguez, A.; Mikkelsen, D. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Reinke, M. L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP White, AE (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM whitea@psfc.mit.edu RI Parra, Felix I./C-1442-2012; OI Parra, Felix I./0000-0001-9621-7404; Greenwald, Martin/0000-0002-4438-729X FU US Department of Energy [DE-SC0006419-CECE, DE-FC02-99ER54512-CMOD]; DOE postdoctoral fellow through Oak Ridge Institute for Science and Education (ORISE) FX The authors would like to thank the entire Alcator C-Mod team for their support of these experiments. This work supported by the US Department of Energy under DE-SC0006419-CECE and DE-FC02-99ER54512-CMOD. M.L. Reinke was supported as a DOE postdoctoral fellow through Oak Ridge Institute for Science and Education (ORISE). NR 26 TC 5 Z9 5 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2014 VL 54 IS 8 AR 083019 DI 10.1088/0029-5515/54/8/083019 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AM6RF UT WOS:000339991600023 ER PT J AU Wang, Z Rutqvist, J Wang, Y Leung, C Hoch, A Dai, Y AF Wang, Zhen Rutqvist, Jonny Wang, Yuan Leung, Colin Hoch, Andrew Dai, Ying TI THE EFFECT OF STRESS ON FLOW AND TRANSPORT IN FRACTURED ROCK MASSES USING AN EXTENDED MULTIPLE INTERACTING CONTINUA METHOD WITH CRACK TENSOR THEORY SO NUCLEAR TECHNOLOGY LA English DT Article DE fractured rock; extended multiple interacting continua method; crack tensor theory ID FLUID-FLOW; RESERVOIRS; BEHAVIOR AB We present an extended multiple interacting continua (Ex-MINC) model of fractured rock masses that uses Oda's crack tensor theory to upscale the hydraulic and mechanical properties. The Ex-MINC concept includes separate connected continua representing active fractures, inactive fractures, and matrix to represent the fracture-matrix system. The crack tensor theory was used to calculate the stress-dependent permeability tensor and compliance tensor for individual grid blocks. By doing this, we transformed a discrete fracture network model into a grid-based continuum model. The Ex-MINC model was verified against an existing analytical solution, and the entire Ex-MINC/crack tensor model approach was applied to a benchmark test (BMT) related to coupled stress, fluid flow, and transport through a 20- X 20-m model domain of heavily fractured media. This BMT was part of the international DECOVALEX project for the development of coupled models and their validation, thus providing us with the opportunity to compare our results with the results of independent models. We conducted the coupled hydraulic and mechanical modeling with TOUGH-FLAC, a simulator based on the TOUGH2 multiphase flow code and the FLAC3D geomechanical code. The results of our simulations were generally consistent with the results of the other independent modeling approaches and showed how inactive fractures impeded solute transport through the fractured system by providing an additional fracture surface area as an avenue for increasing fracture matrix diffusion. C1 [Wang, Zhen; Rutqvist, Jonny; Wang, Yuan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Wang, Zhen; Dai, Ying] Tongji Univ, Sch Aerosp Engn & Appl Mech, Shanghai 200092, Peoples R China. [Wang, Yuan] Hohai Univ, Nanjing, Jiangsu, Peoples R China. [Leung, Colin; Hoch, Andrew] AMEC, Didcot, Oxon, England. RP Wang, Z (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM wangzhen_hn@hotmail.com RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU National Basic Research Program of China (973 Program) [2011CB013800]; China Scholarship Council; UK Nuclear Decommissioning Authority through the National Energy Technology Laboratory, under U.S. Department of Energy [DE-AC02-05CH11231] FX The first author would like to acknowledge the financial support from the National Basic Research Program of China (973 Program: 2011CB013800) and the China Scholarship Council. Financial support was also provided by the UK Nuclear Decommissioning Authority to LBNL through the National Energy Technology Laboratory, under U.S. Department of Energy contract DE-AC02-05CH11231. NR 17 TC 0 Z9 0 U1 1 U2 16 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD AUG PY 2014 VL 187 IS 2 BP 158 EP 168 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AN0ZD UT WOS:000340311600005 ER PT J AU Bousso, R Casini, H Fisher, Z Maldacena, J AF Bousso, Raphael Casini, Horacio Fisher, Zachary Maldacena, Juan TI Proof of a quantum Bousso bound SO PHYSICAL REVIEW D LA English DT Article ID FIELD-THEORY; ENTROPY AB We prove the generalized covariant entropy bound, Delta S <= (A - A')/4Gh, for light-sheets with initial area A and final area A'. The entropy Delta S is defined as a difference of von Neumann entropies of an arbitrary state and the vacuum, with both states restricted to the light-sheet under consideration. The proof applies to free fields, in the limit where gravitational backreaction is small. We do not assume the null energy condition. In regions where it is violated, we find that the bound is protected by the defining property of light-sheets: that their null generators are nowhere expanding. C1 [Bousso, Raphael; Fisher, Zachary] Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. [Bousso, Raphael; Fisher, Zachary] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bousso, Raphael; Fisher, Zachary] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Casini, Horacio] Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. [Casini, Horacio; Maldacena, Juan] Inst Adv Study, Princeton, NJ 08540 USA. RP Bousso, R (reprint author), Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. FU Berkeley Center for Theoretical Physics; National Science Foundation [1214644, 1316783]; Foundational Questions Institute [FQXi-RFP3-1323]; New Frontiers in Astronomy and Cosmology; U.S. Department of Energy [DE-AC02-05CH11231, DE-SC0009988]; Institute for Advanced Study; CONICET; CNEA; Universidad Nacional de Cuyo, Argentina FX We thank D. Marolf, A. Strominger and A. Wall for discussions. In particular, we thank D. Marolf for suggestions for generalizing the bound to curved space. R. B. and Z. F. are supported in part by the Berkeley Center for Theoretical Physics, by the National Science Foundation (Awards No. 1214644 and No. 1316783), by the Foundational Questions Institute Grant No. FQXi-RFP3-1323, by "New Frontiers in Astronomy and Cosmology," and by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. H. C. thanks the Institute for Advanced Study for hospitality and financial support. H. C. is partially supported by CONICET, CNEA, and Universidad Nacional de Cuyo, Argentina. J. M. is supported in part by U.S. Department of Energy Grant No. DE-SC0009988. NR 32 TC 26 Z9 26 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD AUG 1 PY 2014 VL 90 IS 4 AR 044002 DI 10.1103/PhysRevD.90.044002 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM6UC UT WOS:000339999700004 ER PT J AU Chheda, TD Mookherjee, M Mainprice, D dos Santos, AM Molaison, JJ Chantel, J Manthilake, G Bassett, WA AF Chheda, Tanvi D. Mookherjee, Mainak Mainprice, David dos Santos, Antonio M. Molaison, Jamie J. Chantel, Julien Manthilake, Geeth Bassett, William A. TI Structure and elasticity of phlogopite under compression: Geophysical implications SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS LA English DT Article DE Elasticity; Seismic Anisotropy; Hydrous phases; Subduction zone ID GENERALIZED GRADIENT APPROXIMATION; LITHOSPHERE-ASTHENOSPHERE BOUNDARY; DENSITY-FUNCTIONAL-THEORY; TOTAL-ENERGY CALCULATIONS; EARTHS UPPER-MANTLE; WAVE BASIS-SET; HIGH-PRESSURE; SEISMIC ANISOTROPY; SINGLE-CRYSTAL; SUBDUCTION ZONES AB We investigated the response of the crystal structure, lattice parameters, and unit-cell volume of hydrous layered silicate phlogopite at conditions relevant to subduction zone settings. We have used first principles simulation based on density functional theory to calculate the equation of state and full elastic constant tensor. Based on the generalized gradient approximation, the full single crystal elastic constant tensor with monoclinic symmetry shows significant anisotropy with the compressional elastic constants: c(11) = 181 GPa, c(22) = 185 GPa, c(33) = 62 GPa, the shear elastic constants c(44) = 14 GPa, c(55) = 20 GPa, c(66) = 68 Ga, and c(46) = -6 GPa; the off diagonal elastic constants c(12) = 48 GPa, c(13) = 12 GPa, c(23) =12 GPa, c(15) = -16 GPa, c(25) = -5 GPa and c(35) = -1 GPa at zero pressure. The elastic anisotropy of phlogopite is larger than most of the layered hydrous phases relevant in the subduction zone conditions. The shear anisotropy, AV(s) for phlogopite is similar to 77% at zero pressure condition and although it decreases upon compression it remains relatively high compared to other hydrous phases relevant in the subduction zone settings. We also note that the shear elastic constants for phlogopite are relatively low. Phlogopite also has a high isotropic bulk V-p/V-S ratio similar to 2.0. However, the V-p/V-S ratio also exhibits significant anisotropy with values as low as 1.49. Thus, phlogopite bearing metasomatized mantle could readily explain unusual V-p/V-S ratio as observed from seismological studies from the mantle wedge regions of the subduction zone. (C) 2014 Elsevier B.V. All rights reserved. C1 [Chheda, Tanvi D.; Mookherjee, Mainak; Bassett, William A.] Cornell Univ, Ithaca, NY 14853 USA. [Mainprice, David] Univ Montpellier 2, Geosci Montpellier UMR CNRS 5243, F-34095 Montpellier 05, France. [dos Santos, Antonio M.; Molaison, Jamie J.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Chantel, Julien; Manthilake, Geeth] Univ Clermont Ferrand, Univ Clermont Ferrand 2, Lab Magmas & Volcans, F-63000 Clermont Ferrand, France. [Chantel, Julien; Manthilake, Geeth] CNRS, UMR 6524, LMV, F-63038 Clermont Ferrand, France. [Chantel, Julien; Manthilake, Geeth] IRD, R 163, LMV, F-63038 Clermont Ferrand, France. RP Mookherjee, M (reprint author), Cornell Univ, Ithaca, NY 14853 USA. EM mainak.mookherjee@cornell.edu RI Mookherjee, Mainak/F-7949-2010; dos Santos, Antonio/A-5602-2016 OI Mookherjee, Mainak/0000-0002-0605-5964; dos Santos, Antonio/0000-0001-6900-0816 FU US National Science Foundation [EAR-1250477]; Extreme Science and Engineering Discovery Environment (XSEDE) [EAR130015]; National Science Foundation [OCI-1053575]; French PNP program (INSU-CNRS); Scientific User Facilities Division, Office of Basic Energy Sciences of the U.S. Department of Energy FX MM is supported by the US National Science Foundation grant (EAR-1250477). M.M. acknowledges computing resources (request #EAR130015) from the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575. G.M. acknowledges funding from the French PNP program (INSU-CNRS). AMS and JJM are supported by the Scientific User Facilities Division, Office of Basic Energy Sciences of the U.S. Department of Energy. NR 84 TC 8 Z9 9 U1 5 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0031-9201 EI 1872-7395 J9 PHYS EARTH PLANET IN JI Phys. Earth Planet. Inter. PD AUG PY 2014 VL 233 BP 1 EP 12 DI 10.1016/j.pepi.2014.05.004 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AN1GD UT WOS:000340329800001 ER PT J AU Liu, J Lin, JF Alatas, A Bi, WL AF Liu, Jin Lin, Jung-Fu Alatas, Ahmet Bi, Wenli TI Sound velocities of bcc-Fe and Fe0.85Si0.15 alloy at high pressure and temperature SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS LA English DT Article DE Compressional wave velocity; High pressure-temperature; Light elements; Inelastic X-ray scattering ID EARTHS INNER-CORE; IRON-SILICON ALLOYS; X-RAY-SCATTERING; AB-INITIO CALCULATIONS; CENTERED-CUBIC PHASE; CLOSE-PACKED IRON; EQUATION-OF-STATE; ELASTIC-CONSTANTS; BIRCHS LAW; SINGLE-CRYSTALS AB Studying the velocity-density profiles of iron and iron-silicon alloy at high pressures and temperatures is critical for understanding the Earths core as well as the interiors of other planetary bodies. Here we have investigated the compressional wave velocity (V-P) and density (rho) profiles of polycrystalline bcc-Fe and Fe0.85Si0.15 alloy (8 wt.% Si) using in situ high-energy resolution inelastic X-ray scattering (HERIX) and synchrotron X-ray diffraction spectroscopies in an externally-heated diamond anvil cell (EHDAC) up to 15 GPa and 700 K. Based on the measured velocity-density (V-P-rho) and velocity-pressure (V-P-P) relations of bcc-Fe at simultaneous high pressure and temperature (P-T) conditions, our results show a strong V-P reduction at elevated temperatures at a constant density. Comparison of the V-P-rho profiles between the bcc-Fe and bcc-Fe0.85Si0.15 alloy indicates that the alloying effect of additional 8 wt.% Si on the V-P-rho relationship of bcc-Fe is predominant via a constant density decrease of approximately 0.6 g/cm(3) (7%). Compared with the literature velocity results for bcc and hcp Fe-Si alloys, the bcc-Fe and Fe-Si alloys exhibit higher V-P than their hcp phase counterparts at the given bcc-hcp transition pressures. Our results here strongly support the notion that high temperature has a strong effect on the V-P of Fe and that the V-P-rho profile of Fe can be affected by structural and magnetic transitions. Analyses on literature elastic constants of the bcc Fe-Si alloys, as a function of P-T and Si content, show that the bcc phase displays extremely high V-P anisotropy of 16-30% and V-S splitting anisotropy of 40-90% at high temperatures, while the addition of Si further enhances the anisotropy. Due to the extremely high elastic anisotropy of the bcc Fe-Si alloy, a certain portion of the bcc Fe-Si alloy with the lattice-preferred orientation may produce V-P and V-S anisotropies to potentially account for the observed seismic anisotropy in the inner core. (C) 2014 Elsevier B.V. All rights reserved. C1 [Liu, Jin; Lin, Jung-Fu] Univ Texas Austin, Dept Geol Sci, Jackson Sch Geosci, Austin, TX 78712 USA. [Alatas, Ahmet; Bi, Wenli] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Bi, Wenli] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. RP Liu, J (reprint author), Univ Texas Austin, Dept Geol Sci, Jackson Sch Geosci, Austin, TX 78712 USA. EM jinliu@utexas.edu RI Lin, Jung-Fu/B-4917-2011; Liu, Jin/C-6558-2011 OI Liu, Jin/0000-0002-1670-8199 FU U.S. National Science Foundation [EAR-1053446, EAR-1056670]; Carnegie/DOE Alliance Center (CDAC); National Science Foundation - Earth Sciences [EAR-1128799]; Department of Energy, Geosciences [DE-FG02-94ER14466]; U.S. DOE [DE-AC02-06CH11357] FX We thank J. Zhu, J. Zhao, and D. Fan for experimental assistance. We are grateful to X. Wu, J. Yang, and B. Chen for their helpful discussions and L. Dafov for editing the manuscript. J. F. Lin acknowledges supports from the U.S. National Science Foundation (EAR-1053446 and EAR-1056670) and the Carnegie/DOE Alliance Center (CDAC). We also thank HPCAT and GeoSoilEnviroCARS of the APS, ANL for the use of the optical ruby and diffraction systems and the Keithley thermometer. GeoSoilEnviroCARS (Sector 13) is supported by the National Science Foundation - Earth Sciences (EAR-1128799), and the Department of Energy, Geosciences (DE-FG02-94ER14466). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, is supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 108 TC 4 Z9 5 U1 3 U2 33 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0031-9201 EI 1872-7395 J9 PHYS EARTH PLANET IN JI Phys. Earth Planet. Inter. PD AUG PY 2014 VL 233 BP 24 EP 32 DI 10.1016/j.pepi.2014.05.008 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AN1GD UT WOS:000340329800003 ER PT J AU Niinemets, U Fares, S Harley, P Jardine, KJ AF Niinemets, Uelo Fares, Silvano Harley, Peter Jardine, Kolby J. TI Bidirectional exchange of biogenic volatiles with vegetation: emission sources, reactions, breakdown and deposition SO PLANT CELL AND ENVIRONMENT LA English DT Review DE catabolism; compound breakdown; compound reactivity; emission controls; physicochemical characteristics; reactive oxygen species; volatile uptake ID ORGANIC-COMPOUND EMISSIONS; PROTON-TRANSFER-REACTION; REACTION MASS-SPECTROMETRY; CARBONYL SULFIDE COS; METHYL VINYL KETONE; AMMONIA COMPENSATION POINT; INTERCELLULAR AIR SPACES; GASEOUS DRY DEPOSITION; GREEN LEAF VOLATILES; PINUS-SYLVESTRIS L. AB Biogenic volatile organic compound (BVOC) emissions are widely modelled as inputs to atmospheric chemistry simulations. However, BVOC may interact with cellular structures and neighbouring leaves in a complex manner during volatile diffusion from the sites of release to leaf boundary layer and during turbulent transport to the atmospheric boundary layer. Furthermore, recent observations demonstrate that the BVOC emissions are bidirectional, and uptake and deposition of BVOC and their oxidation products are the rule rather than the exception. This review summarizes current knowledge of within-leaf reactions of synthesized volatiles with reactive oxygen species (ROS), uptake, deposition and storage of volatiles, and their oxidation products as driven by adsorption on leaf surface and solubilization and enzymatic detoxification inside leaves. The available evidence indicates that because of the reactions with ROS and enzymatic metabolism, the BVOC gross production rates are much larger than previously thought. The degree to which volatiles react within leaves and can be potentially taken up by vegetation depends upon compound reactivity, physicochemical characteristics, as well as upon their participation in leaf metabolism. We argue that future models should be based upon the concept of bidirectional BVOC exchange and consider modification of BVOC sink/source strengths by within-leaf metabolism and storage. C1 [Niinemets, Uelo; Harley, Peter] Estonian Univ Life Sci, Inst Agr & Environm Sci, EE-51014 Tartu, Estonia. [Niinemets, Uelo] Estonian Acad Sci, EE-10130 Tallinn, Estonia. [Fares, Silvano] Consiglio Ric Sperimentaz Agr, Ctr Ric Studio Relaz Tra Pianta & Suolo, I-00184 Rome, Italy. [Jardine, Kolby J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Climate Sci Dept, Berkeley, CA 94720 USA. RP Niinemets, U (reprint author), Estonian Univ Life Sci, Inst Agr & Environm Sci, EE-51014 Tartu, Estonia. EM ylo.niinemets@emu.ee RI Niinemets, Ulo/A-3816-2008; Fares, Silvano/H-4322-2011; Jardine, Kolby/N-2802-2013 OI Niinemets, Ulo/0000-0002-3078-2192; Fares, Silvano/0000-0002-1990-0928; Jardine, Kolby/0000-0001-8491-9310 FU Estonian Ministry of Science and Education [IUT-8-3]; Estonian Science Foundation [9253]; European Commission through the European Regional Fund (Center of Excellence in Environmental Adaptation); European Research Council [322603]; Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231] FX UN's research on BVOC is funded by the Estonian Ministry of Science and Education (institutional grant IUT-8-3), Estonian Science Foundation (grant 9253), and the European Commission through the European Regional Fund (Center of Excellence in Environmental Adaptation) and the European Research Council (advanced grant 322603, SIP-VOL+). K.J.'s work on BVOC is supported by the Office of Biological and Environmental Research of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 as part of their Terrestrial Ecosystem Science Program. The authors thank the reviewers and Francesco Loreto for insightful comments on the manuscript. NR 233 TC 18 Z9 18 U1 6 U2 79 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD AUG PY 2014 VL 37 IS 8 SI SI BP 1790 EP 1809 DI 10.1111/pce.12322 PG 20 WC Plant Sciences SC Plant Sciences GA AN0RN UT WOS:000340291800006 PM 24635661 ER PT J AU Gordon, SP Priest, H Marais, DLD Schackwitz, W Figueroa, M Martin, J Bragg, JN Tyler, L Lee, CR Bryant, D Wang, WQ Messing, J Manzaneda, AJ Barry, K Garvin, DF Budak, H Tuna, M Mitchell-Olds, T Pfender, WF Juenger, TE Mockler, TC Vogel, JP AF Gordon, Sean P. Priest, Henry Marais, David L. Des Schackwitz, Wendy Figueroa, Melania Martin, Joel Bragg, Jennifer N. Tyler, Ludmila Lee, Cheng-Ruei Bryant, Doug Wang, Wenqin Messing, Joachim Manzaneda, Antonio J. Barry, Kerrie Garvin, David F. Budak, Hikmet Tuna, Metin Mitchell-Olds, Thomas Pfender, William F. Juenger, Thomas E. Mockler, Todd C. Vogel, John P. TI Genome diversity in Brachypodium distachyon: deep sequencing of highly diverse inbred lines SO PLANT JOURNAL LA English DT Article DE Brachypodium distachyon; natural diversity; genome sequencing; transcriptome; drought ID ARABIDOPSIS-THALIANA; GENE-EXPRESSION; MODEL SYSTEM; SHORT READS; DROUGHT; STRESS; RICE; OVEREXPRESSION; POPULATIONS; PATTERNS AB Brachypodium distachyon is small annual grass that has been adopted as a model for the grasses. Its small genome, high-quality reference genome, large germplasm collection, and selfing nature make it an excellent subject for studies of natural variation. We sequenced six divergent lines to identify a comprehensive set of polymorphisms and analyze their distribution and concordance with gene expression. Multiple methods and controls were utilized to identify polymorphisms and validate their quality. mRNA-Seq experiments under control and simulated drought-stress conditions, identified 300 genes with a genotype-dependent treatment response. We showed that large-scale sequence variants had extremely high concordance with altered expression of hundreds of genes, including many with genotype-dependent treatment responses. We generated a deep mRNA-Seq dataset for the most divergent line and created a de novo transcriptome assembly. This led to the discovery of >2400 previously unannotated transcripts and hundreds of genes not present in the reference genome. We built a public database for visualization and investigation of sequence variants among these widely used inbred lines. C1 [Gordon, Sean P.; Bragg, Jennifer N.; Vogel, John P.] USDA ARS, Western Reg Res Ctr, Albany, CA 94710 USA. [Priest, Henry; Bryant, Doug; Mockler, Todd C.] Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. [Marais, David L. Des; Juenger, Thomas E.] Univ Texas Austin, Dept Integrat Biol, Austin, TX 78712 USA. [Schackwitz, Wendy; Martin, Joel; Barry, Kerrie] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Figueroa, Melania; Pfender, William F.] USDA ARS, Corvallis, OR 97331 USA. [Figueroa, Melania; Pfender, William F.] Univ Minnesota, St Paul, MN 55108 USA. [Bragg, Jennifer N.] Univ Calif Davis, Davis, CA 95616 USA. [Tyler, Ludmila] Univ Massachusetts, Amherst, MA 01003 USA. [Lee, Cheng-Ruei; Mitchell-Olds, Thomas] Duke Biol, Durham, NC 27708 USA. [Wang, Wenqin; Messing, Joachim] Rutgers State Univ, Waksman Inst, Piscataway, NJ 08854 USA. [Manzaneda, Antonio J.] Univ Jaen, Jaen 23071, Spain. [Garvin, David F.] USDA ARS, Plant Sci Res Unit, St Paul, MN 55108 USA. [Budak, Hikmet] Sabanci Univ, TR-34956 Orhanli, Tuzla Istanbul, Turkey. [Tuna, Metin] Namik Kemal Univ, Dept Field Crops, Tekirdag 59030, Turkey. [Pfender, William F.] Oregon State Univ, Corvallis, OR 97331 USA. RP Vogel, JP (reprint author), USDA ARS, Western Reg Res Ctr, 800 Buchanan St, Albany, CA 94710 USA. EM brachypodium@gmail.com RI Budak, Hikmet/F-4708-2010; Mockler, Todd/L-2609-2013; Mitchell-Olds, Thomas/K-8121-2012; OI Budak, Hikmet/0000-0002-2556-2478; Mockler, Todd/0000-0002-0462-5775; Mitchell-Olds, Thomas/0000-0003-3439-9921; Martin, Joel/0000-0001-9511-6441; Manzaneda Avila, Antonio Jose/0000-0001-9384-7910; Vogel, John/0000-0003-1786-2689; Wang, Wenqin/0000-0001-6427-6338 FU Office of Science (BER), US Department of Energy, USDA NIFA; USDA CRIS [5325-21000-017-00] FX We thank Uffe Hellsten for help with population genetics. Genomic DNA sequencing was performed at the US Department of Energy Joint Genome Institute through the Community Sequencing Program. Deep sequencing of the Bd1-1 transcriptome was performed at the Center of Genome Research and Biocomputing, Oregon State University, Corvallis, OR. This work was supported by the Office of Science (BER), US Department of Energy, USDA NIFA, and by the USDA CRIS project 5325-21000-017-00. NR 49 TC 23 Z9 23 U1 1 U2 42 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD AUG PY 2014 VL 79 IS 3 BP 361 EP 374 DI 10.1111/tpj.12569 PG 14 WC Plant Sciences SC Plant Sciences GA AM8XV UT WOS:000340163500001 PM 24888695 ER PT J AU Lao, JM Oikawa, A Bromley, JR McInerney, P Suttangkakul, A Smith-Moritz, AM Plahar, H Chiu, TY Fernandez-Nino, SMG Ebert, B Yang, F Christiansen, KM Hansen, SF Stonebloom, S Adams, PD Ronald, PC Hillson, NJ Hadi, MZ Vega-Sanchez, ME Loque, D Scheller, HV Heazlewood, JL AF Lao, Jeemeng Oikawa, Ai Bromley, Jennifer R. McInerney, Peter Suttangkakul, Anongpat Smith-Moritz, Andreia M. Plahar, Hector Chiu, Tsan-Yu Fernandez-Nino, Susana M. Gonzalez Ebert, Berit Yang, Fan Christiansen, Katy M. Hansen, Sara F. Stonebloom, Solomon Adams, Paul D. Ronald, Pamela C. Hillson, Nathan J. Hadi, Masood Z. Vega-Sanchez, Miguel E. Loque, Dominique Scheller, Henrik V. Heazlewood, Joshua L. TI The plant glycosyltransferase clone collection for functional genomics SO PLANT JOURNAL LA English DT Article DE glycosyltransferase; Arabidopsis; rice; particle bombardment; GT14; cell wall; endomembrane; subcellular localization; biolistics ID CELL-WALL BIOSYNTHESIS; PROTEIN-PROTEIN INTERACTIONS; INFORMATION RESOURCE TAIR; ARABIDOPSIS-THALIANA; SUBCELLULAR LOCATION; TRANSGENIC PLANTS; GOLGI-APPARATUS; VECTORS; RICE; ANNOTATION AB The glycosyltransferases (GTs) are an important and functionally diverse family of enzymes involved in glycan and glycoside biosynthesis. Plants have evolved large families of GTs which undertake the array of glycosylation reactions that occur during plant development and growth. Based on the Carbohydrate-Active enZymes (CAZy) database, the genome of the reference plant Arabidopsis thaliana codes for over 450 GTs, while the rice genome (Oryza sativa) contains over 600 members. Collectively, GTs from these reference plants can be classified into over 40 distinct GT families. Although these enzymes are involved in many important plant specific processes such as cell-wall and secondary metabolite biosynthesis, few have been functionally characterized. We have sought to develop a plant GTs clone resource that will enable functional genomic approaches to be undertaken by the plant research community. In total, 403 (88%) of CAZy defined Arabidopsis GTs have been cloned, while 96 (15%) of the GTs coded by rice have been cloned. The collection resulted in the update of a number of Arabidopsis GT gene models. The clones represent full-length coding sequences without termination codons and are Gateway (R) compatible. To demonstrate the utility of this JBEI GT Collection, a set of efficient particle bombardment plasmids (pBullet) was also constructed with markers for the endomembrane. The utility of the pBullet collection was demonstrated by localizing all members of the Arabidopsis GT14 family to the Golgi apparatus or the endoplasmic reticulum (ER). Updates to these resources are available at the JBEI GT Collection website http://www.addgene.org/. C1 [Lao, Jeemeng; Oikawa, Ai; Bromley, Jennifer R.; McInerney, Peter; Suttangkakul, Anongpat; Smith-Moritz, Andreia M.; Plahar, Hector; Chiu, Tsan-Yu; Fernandez-Nino, Susana M. Gonzalez; Ebert, Berit; Yang, Fan; Christiansen, Katy M.; Hansen, Sara F.; Stonebloom, Solomon; Adams, Paul D.; Ronald, Pamela C.; Hillson, Nathan J.; Hadi, Masood Z.; Vega-Sanchez, Miguel E.; Loque, Dominique; Scheller, Henrik V.; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Lao, Jeemeng; Oikawa, Ai; Bromley, Jennifer R.; McInerney, Peter; Suttangkakul, Anongpat; Smith-Moritz, Andreia M.; Plahar, Hector; Chiu, Tsan-Yu; Fernandez-Nino, Susana M. Gonzalez; Ebert, Berit; Yang, Fan; Christiansen, Katy M.; Hansen, Sara F.; Stonebloom, Solomon; Adams, Paul D.; Ronald, Pamela C.; Hillson, Nathan J.; Hadi, Masood Z.; Vega-Sanchez, Miguel E.; Loque, Dominique; Scheller, Henrik V.; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [McInerney, Peter; Hadi, Masood Z.] Sandia Natl Labs, Livermore, CA 94551 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Ronald, Pamela C.] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA. [Ronald, Pamela C.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. [Scheller, Henrik V.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Heazlewood, JL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. EM JLHeazlewood@lbl.gov RI Ebert, Berit/F-1856-2016; Heazlewood, Joshua/A-2554-2008; Scheller, Henrik/A-8106-2008; Bromley, Jennifer/C-6632-2015; Yang, Fan/I-4438-2015; Loque, Dominique/A-8153-2008; Adams, Paul/A-1977-2013 OI Ebert, Berit/0000-0002-6914-5473; Heazlewood, Joshua/0000-0002-2080-3826; Scheller, Henrik/0000-0002-6702-3560; Bromley, Jennifer/0000-0002-2333-1238; Adams, Paul/0000-0001-9333-8219 FU Office of Science, Office of Biological and Environmental Research, of the United States Department of Energy [DE-AC02-05CH11231] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the United States Department of Energy under Contract No. DE-AC02-05CH11231. NR 66 TC 14 Z9 62 U1 2 U2 35 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD AUG PY 2014 VL 79 IS 3 BP 517 EP 529 DI 10.1111/tpj.12577 PG 13 WC Plant Sciences SC Plant Sciences GA AM8XV UT WOS:000340163500013 PM 24905498 ER PT J AU Albert, F Pollock, BB Shaw, JL Marsh, KA Ralph, JE Chen, YH Alessi, D Pak, A Clayton, CE Glenzer, SH Joshi, C AF Albert, F. Pollock, B. B. Shaw, J. L. Marsh, K. A. Ralph, J. E. Chen, Y-H Alessi, D. Pak, A. Clayton, C. E. Glenzer, S. H. Joshi, C. TI Measuring the angular dependence of betatron x-ray spectra in a laser-wakefield accelerator SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Laser and Plasma Accelerators Workshop CY SEP 02-06, 2013 CL Fort Aguada, INDIA DE betatron x-rays; laser-wakefield accelerator; plasma ID ELECTRON-BEAMS; PLASMA AB This paper presents a new technique to measure the angular dependence of betatron x-ray spectra in a laser-wakefield accelerator. Measurements are performed with a stacked image plates spectrometer, capable of detecting broadband x-ray radiation up to 1 MeV. It can provide measurements of the betatron x-ray spectrum at any angle of observation (within a 40 mrad cone) and of the beam profile. A detailed description of our data analysis is given, along with comparison for several shots. These measurements provide useful information on the dynamics of the electrons are they are accelerated and wiggled by the wakefield. C1 [Albert, F.; Pollock, B. B.; Ralph, J. E.; Chen, Y-H; Alessi, D.; Pak, A.] Lawrence Livermore Natl Lab, NIF & Photon Sci, Livermore, CA 94550 USA. [Shaw, J. L.; Marsh, K. A.; Clayton, C. E.; Joshi, C.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Glenzer, S. H.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. RP Albert, F (reprint author), Lawrence Livermore Natl Lab, NIF & Photon Sci, 7000 East Ave, Livermore, CA 94550 USA. EM albert6@llnl.gov RI Chen, Yu-hsin/I-3400-2012; Albert, Felicie/G-2645-2013 OI Chen, Yu-hsin/0000-0002-9603-7371; FU US Department of Energy at LLNL [DE-AC52-07NA27344]; UCLA [DE-FG02-92-ER40727]; Laboratory Directed Research and Development (LDRD) [13-LW-076]; DOE Office of Science, Fusion Energy Sciences [FWP 100182] FX This work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at LLNL, DE-FG02-92-ER40727 at UCLA, and supported by the Laboratory Directed Research and Development (LDRD) Program under tracking code 13-LW-076. This work was partially supported by the DOE Office of Science, Fusion Energy Sciences under FWP 100182. The authors thank R C Cauble, J Bonlie and S Maricle for their support of the Callisto laser system at the Jupiter Laser Facility, and C Haefner for advice on lasers. FA acknowledges discussions with F V Hartemann on theory and modeling and thanks C D Chen for discussions on the spectrometer layout. NR 36 TC 3 Z9 3 U1 1 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2014 VL 56 IS 8 AR 084016 DI 10.1088/0741-3335/56/8/084016 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AM7NT UT WOS:000340055300017 ER PT J AU Albert, F Thomas, AGR Mangles, SPD Banerjee, S Corde, S Flacco, A Litos, M Neely, D Vieira, J Najmudin, Z Bingham, R Joshi, C Katsouleas, T AF Albert, F. Thomas, A. G. R. Mangles, S. P. D. Banerjee, S. Corde, S. Flacco, A. Litos, M. Neely, D. Vieira, J. Najmudin, Z. Bingham, R. Joshi, C. Katsouleas, T. TI Laser wakefield accelerator based light sources: potential applications and requirements SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Laser and Plasma Accelerators Workshop CY SEP 02-06, 2013 CL Fort Aguada, INDIA DE laser wakefield; betatron radiation; Compton scattering; x-ray phase contrast imaging; x-ray absorption ID FREE-ELECTRON LASER; NONLINEAR THOMSON SCATTERING; X-RAY SOURCE; PLASMA ACCELERATOR; PHASE RETRIEVAL; GAMMA-RAYS; CONTRAST; BEAMS; RADIATION; INTENSE AB In this article we review the prospects of laser wakefield accelerators as next generation light sources for applications. This work arose as a result of discussions held at the 2013 Laser Plasma Accelerators Workshop. X-ray phase contrast imaging, x-ray absorption spectroscopy, and nuclear resonance fluorescence are highlighted as potential applications for laser-plasma based light sources. We discuss ongoing and future efforts to improve the properties of radiation from plasma betatron emission and Compton scattering using laser wakefield accelerators for these specific applications. C1 [Albert, F.] Lawrence Livermore Natl Lab, NIF & Photon Sci, Livermore, CA 94550 USA. [Thomas, A. G. R.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Mangles, S. P. D.; Najmudin, Z.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, John Adams Inst Accelerator Sci, London SW7 2AZ, England. [Banerjee, S.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Corde, S.; Litos, M.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. [Flacco, A.] Ecole Polytech, CNRS, ENSTA, Lab Opt Appl,UMR 7639, F-91761 Palaiseau, France. [Neely, D.; Bingham, R.] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, Oxon, England. [Vieira, J.] Univ Lisbon, Inst Super Tecn, GoLP, Inst Plasmas & Fusao Nucl,Lab Associado, P-1699 Lisbon, Portugal. [Joshi, C.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Katsouleas, T.] Duke Univ, Platt Sch Engn, Durham, NC 27708 USA. RP Albert, F (reprint author), Lawrence Livermore Natl Lab, NIF & Photon Sci, Livermore, CA 94550 USA. EM albert6@llnl.gov RI Albert, Felicie/G-2645-2013; Mangles, Stuart/F-9070-2014; OI Mangles, Stuart/0000-0003-2443-4201; Vieira, Jorge/0000-0002-5515-3624; Thomas, Alexander/0000-0003-3206-8512 FU John Adams Institute for Accelerator Science (STFC) [ST/J002062/1]; US Department of Energy at LLNL [DE-AC52-07NA27344]; Laboratory Directed Research and Development (LDRD) Program [13-LW-076]; NSF CAREER [1054164] FX The authors acknowledge discussions with all the participants of the 2013 Laser Plasma Accelerators Workshop. The conference was supported by the John Adams Institute for Accelerator Science (STFC grant ST/J002062/1). Part of this work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at LLNL and supported by the Laboratory Directed Research and Development (LDRD) Program under tracking code 13-LW-076. AGRT acknowledges funding from NSF CAREER under grant 1054164. NR 123 TC 18 Z9 18 U1 5 U2 51 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2014 VL 56 IS 8 AR 084015 DI 10.1088/0741-3335/56/8/084015 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AM7NT UT WOS:000340055300016 ER PT J AU Assmann, R Bingham, R Bohl, T Bracco, C Buttenschoen, B Butterworth, A Caldwell, A Chattopadhyay, S Cipiccia, S Feldbaumer, E Fonseca, RA Goddard, B Gross, M Grulke, O Gschwendtner, E Holloway, J Huang, C Jaroszynski, D Jolly, S Kempkes, P Lopes, N Lotov, K Machacek, J Mandry, SR McKenzie, JW Meddahi, M Militsyn, BL Moschuering, N Muggli, P Najmudin, Z Noakes, TCQ Norreys, PA Oez, E Pardons, A Petrenko, A Pukhov, A Rieger, K Reimann, O Ruhl, H Shaposhnikova, E Silva, LO Sosedkin, A Tarkeshian, R Trines, RMGN Tueckmantel, T Vieira, J Vincke, H Wing, M Xia, G AF Assmann, R. Bingham, R. Bohl, T. Bracco, C. Buttenschoen, B. Butterworth, A. Caldwell, A. Chattopadhyay, S. Cipiccia, S. Feldbaumer, E. Fonseca, R. A. Goddard, B. Gross, M. Grulke, O. Gschwendtner, E. Holloway, J. Huang, C. Jaroszynski, D. Jolly, S. Kempkes, P. Lopes, N. Lotov, K. Machacek, J. Mandry, S. R. McKenzie, J. W. Meddahi, M. Militsyn, B. L. Moschuering, N. Muggli, P. Najmudin, Z. Noakes, T. C. Q. Norreys, P. A. Oez, E. Pardons, A. Petrenko, A. Pukhov, A. Rieger, K. Reimann, O. Ruhl, H. Shaposhnikova, E. Silva, L. O. Sosedkin, A. Tarkeshian, R. Trines, R. M. G. N. Tueckmantel, T. Vieira, J. Vincke, H. Wing, M. Xia, G. TI Proton-driven plasma wakefield acceleration: a path to the future of high-energy particle physics SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Laser and Plasma Accelerators Workshop CY SEP 02-06, 2013 CL Fort Aguada, INDIA DE proton-driven plasma wakefield acceleration; accelerators; plasma physics ID ELECTRONS; BOSON; LHC AB New acceleration technology is mandatory for the future elucidation of fundamental particles and their interactions. A promising approach is to exploit the properties of plasmas. Past research has focused on creating large-amplitude plasma waves by injecting an intense laser pulse or an electron bunch into the plasma. However, the maximum energy gain of electrons accelerated in a single plasma stage is limited by the energy of the driver. Proton bunches are the most promising drivers of wakefields to accelerate electrons to the TeV energy scale in a single stage. An experimental program at CERN-the AWAKE experiment-has been launched to study in detail the important physical processes and to demonstrate the power of proton-driven plasma wakefield acceleration. Here we review the physical principles and some experimental considerations for a future proton-driven plasma wakefield accelerator. C1 [Assmann, R.] DESY, Hamburg, Germany. [Bingham, R.; Holloway, J.; Norreys, P. A.; Trines, R. M. G. N.] Rutherford Appleton Lab, Chilton, England. [Bingham, R.; Cipiccia, S.; Jaroszynski, D.] Univ Strathclyde, Glasgow, Lanark, Scotland. [Bohl, T.; Bracco, C.; Butterworth, A.; Cipiccia, S.; Feldbaumer, E.; Goddard, B.; Gschwendtner, E.; Meddahi, M.; Petrenko, A.; Shaposhnikova, E.; Vincke, H.] CERN, Geneva, Switzerland. [Buttenschoen, B.; Caldwell, A.; Machacek, J.; Mandry, S. R.; Muggli, P.; Oez, E.; Rieger, K.; Reimann, O.; Tarkeshian, R.; Vieira, J.] Max Planck Inst Phys & Astrophys, Munich, Germany. [Chattopadhyay, S.; Xia, G.] Cockroft Inst, Daresbury, England. [Chattopadhyay, S.] Univ Lancaster, Dept Phys, Lancaster LA1 4YW, England. [Chattopadhyay, S.] Univ Liverpool, Dept Phys, Liverpool L69 3BX, Merseyside, England. [Buttenschoen, B.; Xia, G.] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Fonseca, R. A.] Univ Lisbon, ISCTE, DCTI, P-1699 Lisbon, Portugal. [Fonseca, R. A.; Lopes, N.; Silva, L. O.; Vieira, J.] Univ Lisbon, GoLP Inst Plasmas & Fusao Nucl, Inst Super Tecn, Lisbon, Portugal. [Grulke, O.; Kempkes, P.] Max Planck Inst Plasma Phys, EURATOM Assoc, Greifswald, Germany. [Holloway, J.; Jolly, S.; Mandry, S. R.; Wing, M.] UCL, London, England. [Huang, C.] Los Alamos Natl Lab, Los Alamos, NM USA. [Lopes, N.; Najmudin, Z.] Imperial Coll, John Adams Inst Accelerator Sci, London, England. [Lotov, K.; Petrenko, A.; Sosedkin, A.] Budker Inst Nucl Phys SB RAS, Novosibirsk, Russia. [Lotov, K.; Sosedkin, A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [McKenzie, J. W.; Militsyn, B. L.; Noakes, T. C. Q.] Accelerator Sci & Technol Ctr, STFC Daresbury Lab, ASTeC, Warrington, Cheshire, England. [Moschuering, N.; Ruhl, H.] Univ Munich, Munich, Germany. [Norreys, P. A.] Univ Oxford, Clarendon Lab, Oxford, England. [Pukhov, A.; Tueckmantel, T.] Clarendon Lab, Dusseldorf, Germany. RP Assmann, R (reprint author), DESY, Hamburg, Germany. EM m.wing@ucl.ac.uk RI Fonseca, Ricardo/B-7680-2009; Silva, Luis/C-3169-2009; Vieira, Jorge/M-4373-2013; pukhov, alexander/C-8082-2016; Lotov, Konstantin/H-6217-2016; Assmann, Ralph/L-8457-2016; Lopes, Nelson/C-6540-2009; Petrenko, Alexey/R-6313-2016; OI Fonseca, Ricardo/0000-0001-6342-6226; Silva, Luis/0000-0003-2906-924X; Vieira, Jorge/0000-0002-5515-3624; Lopes, Nelson/0000-0001-8355-4727; Petrenko, Alexey/0000-0002-7772-8206; Huang, Chengkun/0000-0002-3176-8042 FU BMBF, Germany [05H12PF5]; EU [312453]; EPSRC and STFC, United Kingdom; Ministry of Education and Science of the Russian Federation; DESY, Hamburg FX This work was supported in parts by: BMBF, Germany, project 05H12PF5; EU FP7 EuCARD-2, Grant Agreement 312453 (WP13, ANAC2); EPSRC and STFC, United Kingdom; and the Ministry of Education and Science of the Russian Federation. M Wing acknowledges the support of DESY, Hamburg. NR 36 TC 25 Z9 25 U1 8 U2 44 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2014 VL 56 IS 8 AR 084013 DI 10.1088/0741-3335/56/8/084013 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AM7NT UT WOS:000340055300014 ER PT J AU MacLellan, DA Carroll, DC Gray, RJ Robinson, APL Desjarlais, MP Neely, D McKenna, P AF MacLellan, D. A. Carroll, D. C. Gray, R. J. Robinson, A. P. L. Desjarlais, M. P. Neely, D. McKenna, P. TI Influence of laser-drive parameters on annular fast electron transport in silicon SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Laser and Plasma Accelerators Workshop CY SEP 02-06, 2013 CL Fort Aguada, INDIA DE laser-plasma interactions; fast electron transport; fast ignition ID SOLID TARGETS; IGNITION; PLASMAS AB Three-dimensional hybrid particle-in-cell simulations are used to investigate the sensitivity of annular fast electron transport patterns in silicon to the properties of the drive laser pulse. It is found that the annular transport, which is induced by self-generated resistive magnetic fields, is particularly sensitive to the peak laser pulse intensity. The radius of the annular fast electron distribution can be varied by changing the drive laser pulse properties, and in particular the focal spot size. An ability to optically 'tune' the properties of an annular fast electron transport pattern could have important implications for the development of advanced ignition schemes and for tailoring the properties of beams of laser-accelerated ions. C1 [MacLellan, D. A.; Gray, R. J.; McKenna, P.] Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland. [Carroll, D. C.; Robinson, A. P. L.; Neely, D.] Rutherford Appleton Lab, STFC, Cent Laser Facil, Didcot OX11 0QX, Oxon, England. [Desjarlais, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP MacLellan, DA (reprint author), Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland. EM paul.mckenna@strath.ac.uk RI McKenna, Paul/B-9764-2009 OI McKenna, Paul/0000-0001-8061-7091 FU EPSRC [EP/J003832/1, EP/L001357/1, EP/K022415/1]; LASERLAB-EUROPE [284464]; Air Force Office of Scientific Research, Air Force Material Command, USAF [FA8655-13-1-3008] FX We acknowledge computing resources provided by STFC's e-Science project. This work is financially supported by EPSRC (grant numbers EP/J003832/1, EP/L001357/1 and EP/K022415/1). The research leading to these results has also received funding from LASERLAB-EUROPE (grant agreement no 284464, EC's Seventh Framework Programme) and is sponsored by the Air Force Office of Scientific Research, Air Force Material Command, USAF, under grant number FA8655-13-1-3008. The US Government is authorized to reproduce and distribute reprints for Governmental purpose notwithstanding any copyright notation thereon. NR 28 TC 4 Z9 4 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2014 VL 56 IS 8 AR 084002 DI 10.1088/0741-3335/56/8/084002 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AM7NT UT WOS:000340055300003 ER PT J AU Mehrling, T Benedetti, C Schroeder, CB Osterhoff, J AF Mehrling, T. Benedetti, C. Schroeder, C. B. Osterhoff, J. TI HiPACE: a quasi-static particle-in-cell code SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Laser and Plasma Accelerators Workshop CY SEP 02-06, 2013 CL Fort Aguada, INDIA DE particle-in-cell simulations; quasi-static; plasma-wakefield acceleration; plasma-based acceleration ID LASER-PULSES; PLASMA; ACCELERATION; SIMULATION; ELECTRONS; INTENSE; PHYSICS; WAKE AB We introduce the Highly efficient Plasma Accelerator Emulation (HiPACE) code. It is a relativistic, electromagnetic, three-dimensional and fully parallelized particle-in-cell (PIC) code and uses the quasi-static approximation to efficiently simulate a variety of beam-driven plasma-wakefield acceleration scenarios. HiPACE exploits the disparity of time scales in the interaction of highly relativistic particle beams with plasma to decouple beam and plasma evolution. This enables time steps which are many times greater than those used in full PIC codes. Comparisons to the fully explicit PIC code OSIRIS show the capability of the quasi-static PIC code to consistently simulate problems in beam-driven plasma acceleration while reducing the required number of core hours by orders of magnitude. This work outlines the physical basis, describes the numerical implementation and assesses the parallel performance of the code which in combination lead to high computational efficiency. C1 [Mehrling, T.; Osterhoff, J.] Deutsch Elekt Synchrotron DESY, D-22607 Hamburg, Germany. [Benedetti, C.; Schroeder, C. B.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Mehrling, T (reprint author), Deutsch Elekt Synchrotron DESY, D-22607 Hamburg, Germany. EM timon.mehrling@desy.de; cbenedetti@lbl.gov; CBSchroeder@lbl.gov; jens.osterhoff@desy.de OI Schroeder, Carl/0000-0002-9610-0166; Mehrling, Timon J./0000-0002-1280-4642 FU Humboldt Foundation; Director, Office of Science, Office of High Energy Physics, of the US Department of Energy [DE-AC02-05CH11231] FX We thank the OSIRIS consortium (IST/UCLA) for access to the OSIRIS code and the permission to use OSIRIS for the presented benchmarks. We would like to thank DESY IT for the allocation of computation time at the HPC cluster and the Humboldt Foundation for financial support. Work at LBNL was supported by the Director, Office of Science, Office of High Energy Physics, of the US Department of Energy under Contract No DE-AC02-05CH11231. NR 38 TC 8 Z9 9 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2014 VL 56 IS 8 AR 084012 DI 10.1088/0741-3335/56/8/084012 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AM7NT UT WOS:000340055300013 ER PT J AU Pogorelsky, IV Ben-Zvi, I AF Pogorelsky, I. V. Ben-Zvi, I. TI Brookhaven National Laboratory's Accelerator Test Facility: research highlights and plans SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Laser and Plasma Accelerators Workshop CY SEP 02-06, 2013 CL Fort Aguada, INDIA DE plasma waves; particle beams; accelerators; lasers ID RELATIVISTIC ELECTRONS; LASER; PLASMA; CO2-LASER; AMPLIFICATION; DRIVEN; REGIME; PULSES AB The Accelerator Test Facility (ATF) at Brookhaven National Laboratory has served as a user facility for accelerator science for over a quarter of a century. In fulfilling this mission, the ATF offers the unique combination of a high-brightness 80 MeV electron beam that is synchronized to a 1 TW picosecond CO2 laser. We unveil herein our plan to considerably expand the ATF's floor space with an upgrade of the electron beam's energy to 300 MeV and the CO2 laser's peak power to 100 TW. This upgrade will propel the ATF even further to the forefront of research on advanced accelerators and radiation sources, supporting the most innovative ideas in this field. We discuss emerging opportunities for scientific breakthroughs, including the following: plasma wakefield acceleration studies in research directions already active at the ATF; laser wakefield acceleration (LWFA), where the longer laser wavelengths are expected to engender a proportional increase in the beam's charge while our linac will assure, for the first time, the opportunity to undertake detailed studies of seeding and staging of the LWFA; proton acceleration to the 100-200 MeV level, which is essential for medical applications; and others. C1 [Pogorelsky, I. V.; Ben-Zvi, I.] BNL, Collider Accelerator Dept, Accelerator Test Facil, Upton, NY 11973 USA. RP Pogorelsky, IV (reprint author), BNL, Collider Accelerator Dept, Accelerator Test Facil, Upton, NY 11973 USA. EM igor@bnl.gov FU US DOE [DE-AC02-98CH10886] FX This work is supported by the US DOE contract DE-AC02-98CH10886. The authors are grateful to all who contributed to the ATF Upgrade Proposal, the success of user experiments reviewed in this paper, and helpful discussions. Our special thanks go to V Platonenko, V Gordienko, J Osterhoff, N Andreev, W Kimura, P Muggli, M Polyanskiy, M Babzien, M Fedurin, K Mirabella, R Rock, C Swinson, J Skaritka, C Joshi, Z Najmudin, P Dover, O Tresca and C Maharjan. We also thank the ATF Program Advisory Committee, W Leemans, K Harkay, V Yakimenko, J Rosenzweig and K Krushelnick, and the ATF CO2 Laser Advisory Panel, C Barty, P Corkum, L DiMauro, H Kapteyn, S Tochitsky and W White. NR 30 TC 7 Z9 7 U1 2 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2014 VL 56 IS 8 AR 084017 DI 10.1088/0741-3335/56/8/084017 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AM7NT UT WOS:000340055300018 ER PT J AU Yeon, J Hardaway, JB Sefat, AS Latshaw, AM zur Loye, HC AF Yeon, Jeongho Hardaway, John B. Sefat, Athena S. Latshaw, Allison M. zur Loye, Hans-Conrad TI Crystal growth, structures, magnetic and photoluminescent properties of NaLnGeO(4) (Ln = Sm, Eu, Gd, Tb) SO SOLID STATE SCIENCES LA English DT Article DE Crystal growth; Hydroxide flux; Lanthanides; Germanates; Photoluminescence ID FRAMEWORK CERIUM SILICATE; BOND-VALENCE PARAMETERS; LANTHANIDE SILICATES; LUMINESCENCE PROPERTIES; PHASE-TRANSITION; HYDROTHERMAL SYNTHESIS; EUROPIUM GERMANATE; HIGH-TEMPERATURE; FLUX SYNTHESIS; ND AB Single crystals of NaLnGeO(4) (Ln = Sm, Eu, Gd) were grown out of a molten sodium hydroxide flux, and their crystal structures were determined by single crystal X-ray diffraction. The lanthanide containing germanates crystallize in the orthorhombic space group of Pnma, and exhibit a complex three-dimensional structure consisting of corner- or edge-shared LnO(6), GeO4, and NaO6 polyhedra. UV-vis diffuse reflectance spectra indicated that the reported oxides are insulating materials with wide band gaps. The magnetic susceptibility data shows paramagnetic behavior. For the NaEuGeO4 and NaTbGeO4 compositions intense room temperature photoluminescence was observed. (C) 2014 Elsevier Masson SAS. All rights reserved. C1 [Yeon, Jeongho; Hardaway, John B.; Latshaw, Allison M.; zur Loye, Hans-Conrad] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Sefat, Athena S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP zur Loye, HC (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. EM zurloye@mailbox.sc.edu RI Sefat, Athena/R-5457-2016; OI Sefat, Athena/0000-0002-5596-3504; zur Loye, Hans-Conrad/0000-0001-7351-9098 FU National Science Foundation [DMR-1301757]; Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This research was supported by the National Science Foundation through grant DMR-1301757. The research at ORNL was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 72 TC 5 Z9 5 U1 3 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1293-2558 EI 1873-3085 J9 SOLID STATE SCI JI Solid State Sci. PD AUG PY 2014 VL 34 BP 24 EP 30 DI 10.1016/j.solidstatesciences.2014.05.002 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA AN1IY UT WOS:000340337200005 ER PT J AU Ferdowsi, B Griffa, M Guyer, RA Johnson, PA Carmeliet, J AF Ferdowsi, B. Griffa, M. Guyer, R. A. Johnson, P. A. Carmeliet, J. TI Effect of boundary vibration on the frictional behavior of a dense sheared granular layer SO ACTA MECHANICA LA English DT Article ID LATTICE SOLID MODEL; STICK-SLIP; EARTHQUAKES; DEFORMATION; MECHANISM; WAVES AB We report results of 3D discrete element method simulations aiming at investigating the role of the boundary vibration in inducing frictional weakening in sheared granular layers. We study the role of different vibration amplitudes applied at various shear stress levels, for a granular layer in the stick-slip regime and in the steady-sliding regime. Results are reported in terms of friction drops and kinetic energy release associated with frictional weakening events. We find that a larger vibration amplitude induces larger frictional weakening events. The results show evidence of a threshold below which no induced frictional weakening takes place. Friction drop size is found to be dependent on the shear stress at the time of vibration. A significant increase in the ratio between the number of slipping contacts to the number of sticking contacts in the granular layer is observed for large vibration amplitudes. These vibration-induced contact rearrangements enhance particle mobilization and induce a friction drop and kinetic energy release. This observation provides some insight into the grain-scale mechanisms of frictional weakening by boundary vibration in a dense sheared granular layer. In addition to characterizing the basic physics of vibration-induced shear weakening, we are attempting to understand how a fault fails in the earth under seismic wave forcing. This is the well-known phenomenon of dynamic earthquake triggering. We believe that the granular physics are key to this understanding. C1 [Ferdowsi, B.] Swiss Fed Inst Technol Zurich, Dept Civil Environm & Geomat Engn, CH-8092 Zurich, Switzerland. [Ferdowsi, B.; Griffa, M.; Carmeliet, J.] ETH Domain, Swiss Fed Labs Mat Sci & Technol Empa, CH-8600 Dubendorf, Switzerland. [Guyer, R. A.; Johnson, P. A.] Los Alamos Natl Lab, Solid Earth Geophys Grp, Los Alamos, NM 87545 USA. [Guyer, R. A.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [Carmeliet, J.] Swiss Fed Inst Technol Zurich, Chair Bldg Phys, CH-8093 Zurich, Switzerland. RP Ferdowsi, B (reprint author), Swiss Fed Inst Technol Zurich, Dept Civil Environm & Geomat Engn, CH-8092 Zurich, Switzerland. EM behrooz.ferdowsi@empa.ch OI Ferdowsi, Behrooz (Bruce)/0000-0003-3406-7273 FU Swiss National Science Foundation [206021-128754, 200021-135492] FX We thank D. Weatherley and S. Abe for support during the implementation of our model in the ESyS-Particle code and D. Passerone and C. Pignedoli for the help related with the use of the high performance computing cluster, Ipazia, at Empa. Our work has been supported by the Swiss National Science Foundation (projects No. 206021-128754 and No. 200021-135492) and by the LDRD Program (Institutional Support) at the Los Alamos National Laboratory, Dept. of Energy, USA. NR 37 TC 7 Z9 7 U1 0 U2 13 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0001-5970 EI 1619-6937 J9 ACTA MECH JI Acta Mech. PD AUG PY 2014 VL 225 IS 8 BP 2227 EP 2237 DI 10.1007/s00707-014-1136-y PG 11 WC Mechanics SC Mechanics GA AM6GN UT WOS:000339961900006 ER PT J AU Sommer, YL Verdon, CP Fresquez, MR Ward, CD Wood, EB Pan, Y Caldwell, KL Jones, RL AF Sommer, Yuliya L. Verdon, Carl P. Fresquez, Mark R. Ward, Cynthia D. Wood, Elliott B. Pan, Yi Caldwell, Kathleen L. Jones, Robert L. TI Measurement of mercury species in human blood using triple spike isotope dilution with SPME-GC-ICP-DRC-MS SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Speciation; Mercury; Blood; Biomonitoring; Isotope dilution; SPME; GC; ICP-MS ID SOLID-PHASE MICROEXTRACTION; PLASMA-MASS SPECTROMETRY; FRACTIONATION; SYSTEM AB The measurement of different mercury compounds in human blood can provide valuable information about the type of mercury exposure. To this end, our laboratory developed a biomonitoring method for the quantification of inorganic (iHg), methyl (MeHg), and ethyl (EtHg) mercury in whole blood using a triple-spike isotope dilution (TSID) quantification method employing capillary gas chromatography (GC) and inductively coupled dynamic reaction cell mass spectrometry (ICP-DRC-MS). We used a robotic CombiPAL (R) sample handling station featuring twin fiber-based solid-phase microextraction (SPME) injector heads. The use of two SPME fibers significantly reduces sample analysis cycle times making this method very suitable for high sample throughput, which is a requirement for large public health biomonitoring studies. Our sample preparation procedure involved solubilization of blood samples with tetramethylammonium hydroxide (TMAH) followed by the derivatization with sodium tetra(n-propyl) borate (NaBPr4) to promote volatility of mercury species. We thoroughly investigated-mercury species stability in the blood matrix during the course of sample treatment and analysis. The method accuracy for quantifying iHg, MeHg, and EtHg was validated using NIST standard reference materials (SRM955c level 3) and the Centre de Toxicologie du Quebec (CTQ) proficiency testing (PT) samples. The limit of detection (LOD) for iHg, MeHg, and EtHg in human blood was determined to be 0.27, 0.12, and 0.16 mu g/L, respectively. C1 [Sommer, Yuliya L.; Verdon, Carl P.; Fresquez, Mark R.; Ward, Cynthia D.; Wood, Elliott B.; Pan, Yi; Caldwell, Kathleen L.; Jones, Robert L.] Ctr Dis Control & Prevent, Natl Ctr Environm Hlth, Div Analyt Sci, Inorgan & Radiat Analyt Toxicol Branch, Atlanta, GA 30341 USA. [Sommer, Yuliya L.; Fresquez, Mark R.] Battelle Mem Inst, Atlanta, GA 30329 USA. [Wood, Elliott B.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Sommer, YL (reprint author), Ctr Dis Control & Prevent, Natl Ctr Environm Hlth, Div Analyt Sci, Inorgan & Radiat Analyt Toxicol Branch, 4770 Buford Highway NE,MS F-50, Atlanta, GA 30341 USA. EM YSommer@cdc.gov FU Intramural CDC HHS [CC999999] NR 21 TC 10 Z9 11 U1 5 U2 51 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD AUG PY 2014 VL 406 IS 20 BP 5039 EP 5047 DI 10.1007/s00216-014-7907-4 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AM5FA UT WOS:000339880500022 PM 24948088 ER PT J AU Pantazides, BG Watson, CM Carter, MD Crow, BS Perez, JW Blake, TA Thomas, JD Johnson, RC AF Pantazides, Brooke G. Watson, Caroline M. Carter, Melissa D. Crow, Brian S. Perez, Jonas W. Blake, Thomas A. Thomas, Jerry D. Johnson, Rudolph C. TI An enhanced butyrylcholinesterase method to measure organophosphorus nerve agent exposure in humans SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Organophosphorus nerve agent; Butyrylcholinesterase; Cholinesterase inhibitors; Protein adduct; Immunomagnetic separation ID TANDEM MASS-SPECTROMETRY; CHEMICAL WARFARE AGENTS; HUMAN SERUM; ACETYLCHOLINESTERASE ACTIVITY; QUALITY-CONTROL; ALBUMIN; SARIN; CHOLINESTERASES; QUANTIFICATION; TYROSINE AB Organophosphorus nerve agent (OPNA) adducts to butyrylcholinesterase (BChE) can be used to confirm exposure in humans. A highly accurate method to detect G- and V-series OPNA adducts to BChE in 75 mu L of filtered blood, serum, or plasma has been developed using immunomagnetic separation (IMS) coupled with liquid chromatography tandem mass spectrometry (LC-MS/MS). The reported IMS method captures > 88 % of the BChE in a specimen and corrects for matrix effects on peptide calibrators. The optimized method has been used to quantify baseline BChE levels (unadducted and OPNA-adducted) in a matched-set of serum, plasma, and whole blood (later processed in-house for plasma content) from 192 unexposed individuals to determine the interchangeability of the tested matrices. The results of these measurements demonstrate the ability to accurately measure BChE regardless of the format of the blood specimen received. Criteria for accepting or denying specimens were established through a series of sample stability and processing experiments. The results of these efforts are an optimized and rugged method that is transferrable to other laboratories and an increased understanding of the BChE biomarker in matrix. C1 [Pantazides, Brooke G.; Carter, Melissa D.; Crow, Brian S.; Blake, Thomas A.; Thomas, Jerry D.; Johnson, Rudolph C.] Ctr Dis Control & Prevent, Div Sci Lab, Natl Ctr Environm Hlth, Atlanta, GA 30341 USA. [Watson, Caroline M.] Ctr Dis Control & Prevent, Oak Ridge Inst Sci & Educ, Atlanta, GA 30341 USA. [Perez, Jonas W.] Battelle Mem Inst, Atlanta, GA 30329 USA. RP Johnson, RC (reprint author), Ctr Dis Control & Prevent, Div Sci Lab, Natl Ctr Environm Hlth, 4770 Buford Highway NE, Atlanta, GA 30341 USA. EM rmj6@cdc.gov OI Blake, Thomas/0000-0001-8536-9998 FU Centers for Disease Control and Prevention, Defense Threat Reduction Agency; Oak Ridge Institute for Science and Education FX This work was funded by the Centers for Disease Control and Prevention, Defense Threat Reduction Agency, and Oak Ridge Institute for Science and Education. NR 30 TC 12 Z9 12 U1 9 U2 36 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD AUG PY 2014 VL 406 IS 21 BP 5187 EP 5194 DI 10.1007/s00216-014-7718-7 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AM5FE UT WOS:000339881100013 PM 24604326 ER PT J AU Hamelin, EI Schulze, ND Shaner, RL Coleman, RM Lawrence, RJ Crow, BS Jakubowski, EM Johnson, RC AF Hamelin, Elizabeth I. Schulze, Nicholas D. Shaner, Rebecca L. Coleman, Rebecca M. Lawrence, Richard J. Crow, Brian S. Jakubowski, E. M. Johnson, Rudolph C. TI Quantitation of five organophosphorus nerve agent metabolites in serum using hydrophilic interaction liquid chromatography and tandem mass spectrometry SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Organophosphorus nerve agents; Metabolites; Serum; Exposure ID ISOPROPYL METHYLPHOSPHONIC ACID; ISOTOPE-DILUTION; HUMAN URINE; DEGRADATION-PRODUCTS; QUANTIFICATION; SAMPLES; SARIN; SOMAN; IONIZATION; EXTRACTION AB Although nerve agent use is prohibited, concerns remain for human exposure to nerve agents during decommissioning, research, and warfare. Exposure can be detected through the analysis of hydrolysis products in urine as well as blood. An analytical method to detect exposure to five nerve agents, including VX, VR (Russian VX), GB (sarin), GD (soman), and GF (cyclosarin), through the analysis of the hydrolysis products, which are the primary metabolites, in serum has been developed and characterized. This method uses solid-phase extraction coupled with high-performance liquid chromatography for separation and isotopic dilution tandem mass spectrometry for detection. An uncommon buffer of ammonium fluoride was used to enhance ionization and improve sensitivity when coupled with hydrophilic interaction liquid chromatography resulting in detection limits from 0.3 to 0.5 ng/mL. The assessment of two quality control samples demonstrated high accuracy (101-105 %) and high precision (5-8 %) for the detection of these five nerve agent hydrolysis products in serum. C1 [Hamelin, Elizabeth I.; Shaner, Rebecca L.; Crow, Brian S.; Johnson, Rudolph C.] Ctr Dis Control & Prevent, Div Sci Lab, Natl Ctr Environm Hlth, Atlanta, GA 30341 USA. [Schulze, Nicholas D.; Coleman, Rebecca M.] ORISE, Oak Ridge, TN 37831 USA. [Lawrence, Richard J.; Jakubowski, E. M.] US Army Edgewood Chem Biol Ctr, R&T Directorate, Aberdeen, MD 21010 USA. RP Hamelin, EI (reprint author), Ctr Dis Control & Prevent, Div Sci Lab, Natl Ctr Environm Hlth, 4770 Buford Hwy, Atlanta, GA 30341 USA. EM ehamelin@cdc.gov FU Intramural CDC HHS [CC999999] NR 20 TC 10 Z9 10 U1 9 U2 33 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD AUG PY 2014 VL 406 IS 21 BP 5195 EP 5202 DI 10.1007/s00216-014-7702-2 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AM5FE UT WOS:000339881100014 PM 24633507 ER PT J AU Albo, RLF Valdez, CA Leif, RN Mulcahy, HA Koester, C AF Albo, Rebecca L. F. Valdez, Carlos A. Leif, Roald N. Mulcahy, Heather A. Koester, Carolyn TI Derivatization of pinacolyl alcohol with phenyldimethylchlorosilane for enhanced detection by gas chromatography-mass spectrometry SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Chemical warfare agents; Soman; Pinacolyl alcohol; Silylation; GC-MS; Phenyldimethylchlorosilane AB A derivatization procedure for the qualitative gas chromatography-mass spectrometry (GC-MS) analysis of pinacolyl alcohol (PA) that employs phenyldimethylchlorosilane (PhDMClS) and the promoter N-methylimidazole is described. While PA, underivatized, can be detected using conventional gas chromatographic methods, its polarity and low boiling point make its detection in complex matrices challenging. The silylation procedure described herein generates a PA-derivative exhibiting an increased on-column retention time, thus shifting its GC-MS signal away from commonly encountered, volatile, interfering analytes. Derivatized PA could be distinguished from other PhDMClS-derivatized isomeric alcohols by its unique retention time and mass spectrum. The derivatization was demonstrated to perform well in the GC-MS analysis and identification of PA in samples from Proficiency Tests administered by the Organisation for the Prohibition of Chemical Weapons (OPCW). C1 [Albo, Rebecca L. F.; Valdez, Carlos A.; Leif, Roald N.; Mulcahy, Heather A.; Koester, Carolyn] Lawrence Livermore Natl Lab, Forens Sci Ctr, Livermore, CA 94550 USA. RP Valdez, CA (reprint author), Lawrence Livermore Natl Lab, Forens Sci Ctr, 7000 East Ave, Livermore, CA 94550 USA. EM valdez11@llnl.gov FU agency of the US government; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This document (LLNL-JRNL-640762) was prepared as an account of work sponsored by an agency of the US government. Neither the US government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the US government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the US government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 7 TC 2 Z9 2 U1 1 U2 21 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD AUG PY 2014 VL 406 IS 21 BP 5231 EP 5234 DI 10.1007/s00216-014-7625-y PG 4 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AM5FE UT WOS:000339881100018 PM 24481624 ER PT J AU Qin, YF Du, GZ Chen, MJ Hu, WY Lu, CC Wu, W Hang, B Zhou, ZM Wang, XR Xia, YK AF Qin, Yufeng Du, Guizhen Chen, Minjian Hu, Weiyue Lu, Chuncheng Wu, Wei Hang, Bo Zhou, Zuomin Wang, Xinru Xia, Yankai TI Combined effects of urinary phytoestrogens metabolites and polymorphisms in metabolic enzyme gene on idiopathic male infertility SO ARCHIVES OF TOXICOLOGY LA English DT Article DE Phytoestrogens; Genetic polymorphisms; Metabolic enzymes; Male infertility ID PLANT LIGNANS SECOISOLARICIRESINOL; PREGNANE-X-RECEPTOR; BREAST-CANCER; SEMEN QUALITY; POSTMENOPAUSAL WOMEN; ER-ALPHA; SOY; GENISTEIN; ACTIVATION; DAIDZEIN AB Phytoestrogens are plant-derived compounds that may interact with estrogen receptors and mimic estrogenic effects. It remains unclear whether the individual variability in metabolizing phytoestrogens contributes to phytoestrogens-induced beneficial or detrimental effects. Our aim was to determine whether there is any interaction between metabolic rates (MR) of phytoestrogens and genetic polymorphisms in related xenobiotic metabolizing enzyme genes. MR was used to assess phytoestrogen exposure and individual metabolic ability. The amount of phytoestrogens in urine was measured by ultra-high performance liquid chromatography-tandem mass spectrometry in 600 idiopathic infertile male patients and 401 controls. Polymorphisms were genotyped using the SNPstream platform combined with the Taqman method. Prototypes and metabolites of secoisolariciresinol (SEC) have inverse effects on male reproduction. It was found that low MR of SEC increased the risk of male infertility (OR 2.49, 95 % CI 1.78, 3.48, P (trend) = 8.00 x 10(-8)). Novel interactions were also observed between the MR of SEC and rs1042389 in CYP2B6, rs1048943 in CYP1A1, and rs1799931 in NAT2 on male infertility (P (inter) = 1.06 x 10(-4), 1.14 x 10(-3), 3.55 x 10(-3), respectively). By analyzing the relationships between urinary phytoestrogen concentrations, their metabolites and male infertility, we found that individual variability in metabolizing SEC contributed to the interpersonal differences in SEC's effects on male reproduction. C1 [Qin, Yufeng; Du, Guizhen; Chen, Minjian; Hu, Weiyue; Lu, Chuncheng; Wu, Wei; Zhou, Zuomin; Wang, Xinru; Xia, Yankai] Nanjing Med Univ, Inst Toxicol, State Key Lab Reprod Med, Nanjing 211166, Jiangsu, Peoples R China. [Qin, Yufeng; Du, Guizhen; Chen, Minjian; Hu, Weiyue; Lu, Chuncheng; Wu, Wei; Wang, Xinru; Xia, Yankai] Nanjing Med Univ, Minist Educ, Key Lab Modern Toxicol, Nanjing 211166, Jiangsu, Peoples R China. [Hang, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Xia, YK (reprint author), Nanjing Med Univ, Inst Toxicol, State Key Lab Reprod Med, 818 East Tianyuan Rd, Nanjing 211166, Jiangsu, Peoples R China. EM xrwang@njmu.edu.cn; yankaixia@njmu.edu.cn FU National Natural Science Foundation of China [81072328]; National Science Fund for Outstanding Young Scholars [81322039]; National Natural Science Foundation [31371524]; Distinguished Young Scholars of Jiangsu Province [BK20130041]; University Natural Science Research Project in Jiangsu Province [11KJB330001]; The Program for Postgraduates Research Innovation in University of Jiangsu Province [CXZZ12-0600]; Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD) FX This study was supported by National Natural Science Foundation of China (81072328), National Science Fund for Outstanding Young Scholars (81322039), National Natural Science Foundation (31371524), Distinguished Young Scholars of Jiangsu Province (BK20130041), University Natural Science Research Project in Jiangsu Province (11KJB330001), The Program for Postgraduates Research Innovation in University of Jiangsu Province (CXZZ12-0600), and Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD). NR 44 TC 1 Z9 2 U1 2 U2 16 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0340-5761 EI 1432-0738 J9 ARCH TOXICOL JI Arch. Toxicol. PD AUG PY 2014 VL 88 IS 8 BP 1527 EP 1536 DI 10.1007/s00204-014-1205-y PG 10 WC Toxicology SC Toxicology GA AM5LB UT WOS:000339898700006 PM 24488272 ER PT J AU Weitzman, JN Forshay, KJ Kaye, JP Mayer, PM Koval, JC Walter, RC AF Weitzman, Julie N. Forshay, Kenneth J. Kaye, Jason P. Mayer, Paul M. Koval, Jason C. Walter, Robert C. TI Potential nitrogen and carbon processing in a landscape rich in milldam legacy sediments SO BIOGEOCHEMISTRY LA English DT Article DE Legacy sediments; Nitrogen; Biogeochemistry; Relict hydric soil ID ORGANIC-MATTER DECOMPOSITION; RIPARIAN WETLANDS; ECOENZYMATIC STOICHIOMETRY; MICROBIAL COMMUNITIES; CATABOLIC DIVERSITY; AQUATIC ECOSYSTEMS; STREAM RESTORATION; NITRATE DYNAMICS; ENZYME-ACTIVITY; SOIL-EROSION AB Recent identification of the widespread distribution of legacy sediments deposited in historic mill ponds has increased concern regarding their role in controlling land-water nutrient transfers in the mid-Atlantic region of the US. At Big Spring Run in Lancaster, Pennsylvania, legacy sediments now overlay a buried relict hydric soil (a former wetland soil). We compared C and N processing in legacy sediment to upland soils to identify soil zones that may be sources or sinks for N transported toward streams. We hypothesized that legacy sediments would have high nitrification rates (due to recent agricultural N inputs), while relict hydric soils buried beneath the legacy sediments would be N sinks revealed via negative net nitrification and/or positive denitrification (because the buried former wetland soils are C rich but low in O-2). Potential net nitrification ranged from 9.2 to 77.9 g m(-2) year(-1) and potential C mineralization ranged from 223 to 1,737 g m(-2) year(-1), with the highest rates in surface soils for both legacy sediments and uplands. Potential denitrification ranged from 0.37 to 21.72 g m(-2) year(-1), with the buried relict hydric soils denitrifying an average of 6.2 g m(-2) year(-1). Contrary to our hypothesis, relict hydric layers did not have negative potential nitrification or high positive potential denitrification rates, in part because microbial activity was low relative to surface soils, as indicated by low nitrifier population activity, low substrate induced respiration, and low exoenzyme activity. Despite high soil C concentrations, buried relict hydric soils do not provide the ecological services expected from a wetland soil. Thus, legacy sediments may dampen N removal pathways in buried relict hydric soils, while also acting as substantial sources of NO3 (-) to waterways. C1 [Weitzman, Julie N.; Kaye, Jason P.] Penn State Univ, Dept Ecosyst Sci & Management, University Pk, PA 16802 USA. [Forshay, Kenneth J.] US EPA, Natl Risk Management Res Lab, Ground Water & Ecosyst Restorat Div, Ada, OK 74820 USA. [Mayer, Paul M.] US EPA, Natl Hlth & Environm Effects Res Lab, Western Ecol Div, Corvallis, OR 97333 USA. [Koval, Jason C.] Argonne Natl Lab, Biosci Div, US Dept Energy, Argonne, IL 60439 USA. [Walter, Robert C.] Franklin & Marshall Coll, Dept Earth & Environm, Lancaster, PA 17604 USA. RP Weitzman, JN (reprint author), Penn State Univ, Dept Ecosyst Sci & Management, 116 ASI Bldg, University Pk, PA 16802 USA. EM jnw142@psu.edu RI Forshay, Ken/N-4068-2014; Forshay, Kenneth/P-3649-2015 OI Forshay, Ken/0000-0002-2867-8492; Forshay, Kenneth/0000-0002-2867-8492 FU National Science Foundation [DEB 0816668] FX We thank Dorothy Merritts, Stacey Sosenko, and Michael Rahnis from Franklin and Marshall College, Jeff Hartranft of PA DEP, and Angela Kent from the University of Illinois, who provided assistance in the development of the experimental design and sample collection. We would also like to thank the EPA ORD drilling crew members Ken Jewell and Russell Neil. LiDAR data was provided to the Project by the National Center for Airborne Laser Mapping to Merritts and Walter. This material is based upon work supported by the National Science Foundation under Grant No. DEB 0816668. Notice: The US Environmental Protection Agency through its Office of Research and Development partially funded and collaborated in the research described herein. It has been subject to an administrative review but does not necessarily reflect the views of the Agency. No official endorsement should be inferred. Mention of trade names, products, or services does not convey, and should not be interpreted as conveying, official EPA approval, endorsement, or recommendation. NR 97 TC 1 Z9 1 U1 4 U2 46 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0168-2563 EI 1573-515X J9 BIOGEOCHEMISTRY JI Biogeochemistry PD AUG PY 2014 VL 120 IS 1-3 BP 337 EP 357 DI 10.1007/s10533-014-0003-1 PG 21 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA AM5BX UT WOS:000339871700021 ER PT J AU Ross, PN AF Ross, Philip N. TI Catalysis and Interfacial Chemistry in Lithium Batteries: A Surface Science Approach SO CATALYSIS LETTERS LA English DT Article DE Reduction; XPS; Corrosion ID CLEAN LI SURFACES; ULTRAHIGH-VACUUM; DIMETHYL CARBONATE; PHOTOELECTRON-SPECTROSCOPY; PHOTOEMISSION-SPECTROSCOPY; PROPYLENE CARBONATE; DIETHYL CARBONATE; METALLIC LITHIUM; SMALL MOLECULES; REDUCTION AB Control of the interfacial chemistry of the electrodes in lithium batteries is vitally important to their safe and effective application. Water and virtually every organic solvent is thermodynamically unstable in the presence of metallic lithium. The electrode potential of a graphite electrode in a lithium-ion battery at the top of charge is at an equivalent chemical potential. In principle, the entire lithium or charged graphite electrode can be completely consumed by reaction with the solvent if the interfacial chemistry is not adventitious, i.e. does not form a reaction self-limiting passive film. A greater understanding of the reactions of the electrolyte and the nature of passivity will be essential to utilize metallic lithium or hosts like silicon that store equivalent amounts of lithium. A surface science approach, like that presented here but now out of fashion, may provide additional insight to approaches currently being used. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ross, PN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM pnross@lbl.gov FU Office of Science, Chemical Sciences Division of the U.S. Department of Energy FX The author's research using a surface science approach to the study of interfacial chemistry in lithium batteries was funded by the Office of Science, Chemical Sciences Division of the U.S. Department of Energy. NR 23 TC 3 Z9 3 U1 2 U2 22 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD AUG PY 2014 VL 144 IS 8 BP 1370 EP 1376 DI 10.1007/s10562-014-1287-4 PG 7 WC Chemistry, Physical SC Chemistry GA AM5YV UT WOS:000339938000002 ER PT J AU Xu, WQ Ramirez, PJ Stacchiola, D Rodriguez, JA AF Xu, Wenqian Ramirez, Pedro J. Stacchiola, Dario Rodriguez, Jose A. TI Synthesis of alpha-MoC1-x and beta-MoCy Catalysts for CO2 Hydrogenation by Thermal Carburization of Mo-oxide in Hydrocarbon and Hydrogen Mixtures SO CATALYSIS LETTERS LA English DT Article DE Molybdenum carbides; Molybdenum oxide; Carburization; CO2 hydrogenation; Methanol; Methane ID MOLYBDENUM CARBIDE CATALYSTS; SYNTHESIS GAS; TUNGSTEN CARBIDE; N-BUTANE; METHANE; CONVERSION; PHASE; PERFORMANCE; ACTIVATION; MECHANISMS AB Molybdenum carbide catalysts, including both alpha-MoC1-x (x < 0.5) and beta-MoCy (y a parts per thousand 0.5), were synthesized by thermal treatment of hexagonal molybdenum oxide (HMO) with mixtures of hydrogen and methane/ethane. In situ X-ray diffraction was used to follow the carburization processes. It was found that a high carbon concentration in the reactant gases favors the formation of alpha-MoC1-x while a low concentration favors beta-MoCy. Moreover, a lower concentration of carbon is needed to form alpha-MoC1-x when using ethane instead of methane as the carburization agent. It was also found that the transformation path from HMO to alpha-MoC1-x is dependent on the heating procedure. Baking HMO at 400 A degrees C in hydrogen for several hours leads to the formation of Mo oxyhydride, which can be further carburized to alpha-MoC1-x at a temperature as low as 450 A degrees C with 20 % ethane. Catalytic tests indicate that alpha-MoC1-x and beta-MoCy are both active as catalysts for the hydrogenation of CO2, but the overall activity and selectivity towards CO, CH4 and CH3OH production is strongly affected by the Mo/C ratio in the carbide. beta-MoCy is more active than alpha-MoC1-x for the conversion of CO2 and produces mainly methane and CO as reaction products. On the other hand, alpha-MoC1-x is less active but more selective for methanol production. C1 [Xu, Wenqian; Stacchiola, Dario; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Ramirez, Pedro J.] Cent Univ Venezuela, Fac Ciencias, Caracas 1020, Venezuela. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bnl.gov RI Stacchiola, Dario/B-1918-2009 OI Stacchiola, Dario/0000-0001-5494-3205 FU U.S. Department of Energy, Chemical Sciences Division [DE-AC02-98CH10886]; INTEVEP; IDB FX The research carried out at BNL was supported by the U.S. Department of Energy, Chemical Sciences Division (DE-AC02-98CH10886). P.J.R. is grateful to INTEVEP and IDB for support of the work carried out at UCV. NR 38 TC 11 Z9 11 U1 10 U2 72 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD AUG PY 2014 VL 144 IS 8 BP 1418 EP 1424 DI 10.1007/s10562-014-1278-5 PG 7 WC Chemistry, Physical SC Chemistry GA AM5YV UT WOS:000339938000009 ER PT J AU Xiao, H Mechoso, CR Sun, RY Han, J Pan, HL Park, S Hannay, C Bretherton, C Teixeira, J AF Xiao, Heng Mechoso, C. Roberto Sun, Ruiyu Han, Jongil Pan, Hua-Lu Park, Sungsu Hannay, Cecile Bretherton, Chris Teixeira, Joao TI Diagnosis of the marine low cloud simulation in the NCAR community earth system model (CESM) and the NCEP global forecast system (GFS)-modular ocean model v4 (MOM4) coupled model SO CLIMATE DYNAMICS LA English DT Article DE Marine low clouds; Stratocumulus; Shallow cumulus; Climate modeling; CESM; GFS; Parameterization; Stratocumulus to cumulus transition ID BOUNDARY-LAYER CLOUDS; GENERAL-CIRCULATION MODELS; ATMOSPHERE MODEL; SOUTHEAST PACIFIC; SEASONAL CYCLE; PART I; CLIMATE SIMULATIONS; CUMULUS CONVECTION; VERTICAL DIFFUSION; TROPICAL PACIFIC AB We present a diagnostic analysis of the marine low cloud climatology simulated by two state-of-the-art coupled atmosphere-ocean models: the National Center for Atmospheric Research community earth system model version 1 (CESM1) and the National Center for Environmental Predictions global forecasting system-modular ocean model version 4 (GFS-MOM4) coupled model. In the CESM1, the coastal stratocumulus (Sc)-topped planetary boundary layers (PBLs) in the subtropical Eastern Pacific are well-simulated but the climatological transition from Sc to shallow cumulus (Cu) is too abrupt and occurs too close to the coast. By contrast, in the GFS-MOM4 the coastal Sc amount and PBL depth are severely underestimated while the transition from Sc to shallow Cu is "delayed" and offshore Sc cover is too extensive in the subtropical Eastern Pacific. We discuss the possible connections between these differences in the simulations and differences in the parameterizations of shallow convection and boundary layer turbulence in the two models. C1 [Xiao, Heng; Mechoso, C. Roberto] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. [Sun, Ruiyu; Han, Jongil; Pan, Hua-Lu] NOAA, Natl Ctr Environm Predict, Silver Spring, MD USA. [Park, Sungsu; Hannay, Cecile] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Bretherton, Chris] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [Teixeira, Joao] CALTECH, Jet Prop Lab, Pasadena, CA USA. RP Xiao, H (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, POB 999, Richland, WA 99352 USA. EM Heng.Xiao@pnnl.gov FU NOAA MAPP/CPO; U.S. DOE OBER [KP/501021/58166]; US Department of Energy [DE-AC05-76RL01830]; National Science Foundation FX This work is supported by the NOAA MAPP/CPO program as part of the Sc-Cu Climate Process Team through grants to UCLA, NCAR, NCEP, UW and JPL. HX was supported by U.S. DOE OBER grant KP/501021/58166 at PNNL. We also acknowledge helpful suggestions from all four anonymous reviewers. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy under Contract No. DE-AC05-76RL01830. The National Center for Atmospheric Research is sponsored by the National Science Foundation. NR 69 TC 3 Z9 3 U1 1 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD AUG PY 2014 VL 43 IS 3-4 BP 737 EP 752 DI 10.1007/s00382-014-2067-y PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AM5LG UT WOS:000339899500010 ER PT J AU Gu, XD Gunkel, I Hexemer, A Russell, TP AF Gu, Xiaodan Gunkel, Ilja Hexemer, Alexander Russell, Thomas P. TI Solvent vapor annealing of block copolymer thin films: removal of processing history SO COLLOID AND POLYMER SCIENCE LA English DT Article DE Block copolymer thin films; GISAXS; Solvent vapor annealing; Processing history ID FILTRATION MEMBRANES; DIBLOCK COPOLYMERS; PHOTONIC CRYSTALS; ARRAYS; LITHOGRAPHY; TEMPLATES; ORIENTATION; EVOLUTION; PATTERNS; DENSITY AB The ordering processes of PS-b-P2VP block copolymer thin films with different processing histories were studied during solvent vapor annealing by in situ grazing incidence small-angle X-ray scattering (GISAXS). We compared cylinder-forming PS-b-P2VP thin films with 34 kg/mol molecular weight that were prepared in three different ways: spin coating, spin coating and subsequent solvent vapor annealing where the solvent vapor was removed instantaneously, and spin coating and subsequent solvent vapor annealing where the solvent vapor was removed slowly. Block copolymer thin films retained the morphology resulting from the different "processing histories" at smaller swelling ratios. This processing history was erased when the samples reached a higher swelling ratio (similar to 1.4). After the solvent was slowly removed from the swollen film, the surface morphology was characterized by ex situ AFM. All samples showed the same morphology after solvent annealing regardless of the initial morphology, indicating the morphology of solvent annealed samples is determined by the polymer concentration in the swollen film and the solvent vapor removal rate, but not the processing history. C1 [Gu, Xiaodan; Gunkel, Ilja; Russell, Thomas P.] Univ Massachusetts, Polymer Sci & Engn Dept, Amherst, MA 01003 USA. [Gunkel, Ilja; Hexemer, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Gunkel, Ilja; Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Russell, TP (reprint author), Univ Massachusetts, Polymer Sci & Engn Dept, 120 Governors Dr, Amherst, MA 01003 USA. EM IGunkel@lbl.gov; russell@mail.pse.umass.edu RI Gu, Xiaodan/E-9379-2015; Gu, Xiaodan/G-4029-2015; OI Gunkel, Ilja/0000-0001-5738-5309 FU U.S. Department of Energy BES [BES-DE-FG02-96ER45612]; ALS Doctoral Fellowship program; ALS Postdoctoral Fellowship program; DOE Early Career Research Program grant; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05ch11231] FX This work was supported by the U.S. Department of Energy BES under contract BES-DE-FG02-96ER45612. X. G. acknowledges ALS Doctoral Fellowship program for providing partial financial support. I. G. acknowledges the support by the ALS Postdoctoral Fellowship program. A. H. was supported by a DOE Early Career Research Program grant. GISAXS measurements were performed at Beamline 7.3.3 at the Advanced Light Source, Lawrence Berkeley National Laboratory, which is supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract No. DE-AC02-05ch11231. NR 44 TC 11 Z9 11 U1 10 U2 96 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0303-402X EI 1435-1536 J9 COLLOID POLYM SCI JI Colloid Polym. Sci. PD AUG PY 2014 VL 292 IS 8 SI SI BP 1795 EP 1802 DI 10.1007/s00396-014-3286-9 PG 8 WC Chemistry, Physical; Polymer Science SC Chemistry; Polymer Science GA AM5HW UT WOS:000339888900007 ER PT J AU Kimble, SJA Rhodes, OE Williams, RN AF Kimble, Steven J. A. Rhodes, O. E., Jr. Williams, Rod N. TI Relatedness and other finescale population genetic analyses in the threatened eastern box turtle (Terrapene c. carolina) suggest unexpectedly high vagility with important conservation implications SO CONSERVATION GENETICS LA English DT Article DE Dispersal; Gene flow; Metapopulations; Population structure; Transients ID MAXIMUM-LIKELIHOOD-ESTIMATION; TORTOISE GOPHERUS-AGASSIZII; MULTILOCUS GENOTYPE DATA; LONG-DISTANCE DISPERSAL; MICROSATELLITE LOCI; COMPUTER-PROGRAM; SPERM STORAGE; BUFFER ZONES; LANDSCAPE; SOFTWARE AB Genetic analyses of populations are essential to the conservation of threatened and cryptic taxa such as Chelonians. Turtles and tortoises are among the most imperiled vertebrate taxa worldwide, yet many of the natural history traits remain unknown leaving management decisions ill- or improperly informed. The eastern box turtle Terrapene c. carolina is no exception, with many gaps in our knowledge about traits such as juvenile dispersal and patterns of relatedness across the landscape, especially as it is a species not particularly tied to water and vulnerable to human disturbance. In addition, all long-term studies of this species have documented demographic population declines, even in protected habitats. In this study we explore finescale population structuring, gene flow, dispersal, and relatedness at four sites across the species range. These sites vary in habitat fragmentation and surrounding habitat quality. Many radiotelemtery and mark-recapture studies suggest that Terrapene spp. have a sedentary natural history, with small and temporally conserved home ranges and little propensity for dispersal. Based on these data we predicted that populations would be highly structured at fine geographic scales, closely related individuals (1st- and 2nd-degree relatives) would coexist in close proximity, and individuals exhibiting transient behavior would be true transients. All sites had low levels of population structuring, mean pairwise relatedness values were statistically zero, over 90 % of pairs of individuals were unrelated, 4.4-8.7 % were half-siblings, and fewer than 1.0 % were full siblings or parent-offspring pairs. These patterns were consistent across all four sites, regardless of habitat fragmentation. Furthermore, while some related pairs were found within a few meters of each other, others ranged up to 33 km apart. We found that one of two individuals with transient behavior was indeed a true genetic transient. These findings suggest that box turtles may be much more vagile than current management practices recognize. As most turtle species are strongly affected by anthropogenic disturbance, many may require much larger contiguous blocks of intact habitat for species persistence as the box turtle likely does. Management plans may therefore need to be updated to allow for safe and effective long-distance dispersal at the appropriate spatial scales in order to maintain genetic health of these species. C1 [Kimble, Steven J. A.; Williams, Rod N.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. [Rhodes, O. E., Jr.] Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Kimble, SJA (reprint author), Purdue Univ, Dept Forestry & Nat Resources, 715 West State St, W Lafayette, IN 47907 USA. EM sjkimble@gmail.com FU Indiana Department of Natural Resources, Division of Fish and Wildlife, Wildlife Diversity Section, State Wildlife Improvement Grant [E2-08-WDS15]; Indiana Division of Forestry Grant [E-9-6-A558]; Department of Forestry and Natural Resources, Purdue University FX We thank samplers including M. Allender, M. Baragona, K. Buhlmann, V. Clarkston, K. Creely, M. Cook, M. Cross, N. Engbrecht, E. Estabrook, J. Faller, S. Foertmeyer, A. Garcia, B. Geboy, S. Hagood, K. Hanauer, P. Henry, A. Hoffman, L. Jedele, B. Johnson, S. Johnson, N. Karraker, L. Keener-Eck, V. Kinney, J. Kissel, S. Klueh, A. Krainyk, K. Lilly, J. MacNeil, J. Mitchell, T. Mitchell, K. Norris, H. Powell, K. Powers, J. Richards, J. Riegel, S. Ritchie, J. Shuey, G. Stephens, B. Tomson, T. Tuberville, M. Turnquist, B. Weigel, K. Westerman, M. Wildnauer, and L. Woody. We thank all members of the Williams lab for improving the manuscript. R. Burke, G. Dharmarajan, K. Dodd, J. Fike, R. Howard, G. Nyberg, S. Klueh, M. Kremer, M. Lannoo, N. Lichti, Z. Olson, K. Smith, B. Pauli, and E. Latch also gave important support. Support provided by the Indiana Department of Natural Resources, Division of Fish and Wildlife, Wildlife Diversity Section, State Wildlife Improvement Grant E2-08-WDS15; Indiana Division of Forestry Grant E-9-6-A558; and the Department of Forestry and Natural Resources, Purdue University. Research was conducted under the Purdue University Animal Care and Use Protocol 07-037 and amendments thereto. NR 74 TC 0 Z9 0 U1 4 U2 55 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1566-0621 EI 1572-9737 J9 CONSERV GENET JI Conserv. Genet. PD AUG PY 2014 VL 15 IS 4 BP 967 EP 979 DI 10.1007/s10592-014-0592-1 PG 13 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA AM3DQ UT WOS:000339732800017 ER PT J AU Calvey, CH Willis, LB Jeffries, TW AF Calvey, Christopher H. Willis, Laura B. Jeffries, Thomas W. TI An optimized transformation protocol for Lipomyces starkeyi SO CURRENT GENETICS LA English DT Article DE Lipomyces starkeyi; Lithium acetate; Transformation; Oleaginous yeast ID INTACT YEAST-CELLS; CARRIER; DNA; SYSTEM; LIPIDS AB We report the development of an efficient genetic transformation system for Lipomyces starkeyi based on a modified lithium acetate transformation protocol. L. starkeyi is a highly lipogenic yeast that grows on a wide range of substrates. The initial transformation rate for this species was extremely low, and required very high concentrations of DNA. A systematic approach for optimizing the protocol resulted in an increase in the transformation efficiency by four orders of magnitude. Important parameters included cell density, the duration of incubation and recovery periods, the heat shock temperature, and the concentration of lithium acetate and carrier DNA within the transformation mixture. We have achieved efficiencies in excess of 8,000 transformants/A mu g DNA, which now make it possible to screen libraries in the metabolic engineering of this yeast. Metabolic engineering based on this transformation system could improve lipogenesis and enable formation of higher value products. C1 [Calvey, Christopher H.; Willis, Laura B.; Jeffries, Thomas W.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Calvey, Christopher H.; Willis, Laura B.; Jeffries, Thomas W.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. [Willis, Laura B.; Jeffries, Thomas W.] US Forest Serv, Inst Microbial & Biochem Technol, Forest Prod Lab, USDA, Madison, WI 53726 USA. RP Jeffries, TW (reprint author), US Forest Serv, Inst Microbial & Biochem Technol, Forest Prod Lab, USDA, Madison, WI 53726 USA. EM twjeffri@wisc.edu OI Jeffries, Thomas/0000-0001-7408-4065; Calvey, Christopher/0000-0002-7330-4983 FU Department of Energy Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; Graduate School of University of Wisconsin-Madison; USDA Forest Products Laboratory FX This work was funded in part by the Department of Energy Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). CHC was supported in part through a Grant entitled "Investigation of Lipid Accumulation in Lipomyces starkeyi" awarded by the Graduate School of University of Wisconsin-Madison to TWJ. CHC gratefully acknowledges Kenneth Hammel for sponsorship at the USDA Forest Products Laboratory. NR 20 TC 6 Z9 6 U1 0 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0172-8083 EI 1432-0983 J9 CURR GENET JI Curr. Genet. PD AUG PY 2014 VL 60 IS 3 BP 223 EP 230 DI 10.1007/s00294-014-0427-0 PG 8 WC Genetics & Heredity SC Genetics & Heredity GA AM5CB UT WOS:000339872100010 PM 24728863 ER PT J AU Li, LJ Chai, SH Dai, S Manthiram, A AF Li, Longjun Chai, Song-Hai Dai, Sheng Manthiram, Arumugam TI Advanced hybrid Li-air batteries with high-performance mesoporous nanocatalysts SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID OXYGEN REDUCTION REACTION; METAL-FREE ELECTROCATALYSTS; DOPED CARBON; FUEL-CELLS; RECHARGEABLE BATTERY; COMPOSITE CATALYSTS; LI-O-2 BATTERIES; ELECTROLYTES; GRAPHENE; ELECTRODES AB Hybrid Li-air batteries fabricated with mesoporous NiCo2O4 nanoflakes directly grown onto nickel foam and N-doped mesoporous carbon loaded onto a hydrophobic carbon paper, respectively, as the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts are found to exhibit the best reported cycle life. C1 [Li, Longjun; Manthiram, Arumugam] Univ Texas Austin, Texas Mat Inst, Mat Sci & Engn Program, Austin, TX 78712 USA. [Chai, Song-Hai; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Li, LJ (reprint author), Univ Texas Austin, Texas Mat Inst, Mat Sci & Engn Program, Austin, TX 78712 USA. EM manth@austin.utexas.edu RI Chai, Song-Hai/A-9299-2012; Li, Longjun/E-6956-2014; Dai, Sheng/K-8411-2015 OI Chai, Song-Hai/0000-0002-4152-2513; Li, Longjun/0000-0003-3057-7292; Dai, Sheng/0000-0002-8046-3931 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0005397] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under award number DE-SC0005397. NR 45 TC 63 Z9 63 U1 18 U2 193 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2014 VL 7 IS 8 BP 2630 EP 2636 DI 10.1039/c4ee00814f PG 7 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AM4YJ UT WOS:000339861800017 ER PT J AU Cuisinier, M Cabelguen, PE Adams, BD Garsuch, A Balasubramanian, M Nazar, LF AF Cuisinier, M. Cabelguen, P. -E. Adams, B. D. Garsuch, A. Balasubramanian, M. Nazar, L. F. TI Unique behaviour of nonsolvents for polysulphides in lithium-sulphur batteries SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID LI-S BATTERIES; ELECTROCHEMICAL PERFORMANCE; ELECTROLYTES; DISCHARGE; CATHODE; CELL; REVERSIBILITY; SOLVATION; CARBONATE; CHARGE AB Combination of a solvent-salt complex lacetonitrile(ACN)(2)-LiTFSI] with a hydrofluoroether (HFE) co-solvent unveil a new class of Li-S battery electrolytes. They possess stability against Li metal and viscosities which approach that of conventional ethers, but they have the benefit of low volatility and minimal solubility for lithium polysulphides while exhibiting an uncharacteristic sloping voltage profile. In the optimal system, cells can be discharged to full theoretical capacity under quasi-equilibrium conditions while sustaining high reversible capacities (1300-1400 mA h g(-1)) at moderate rates, and capacities of 1000 mA h g(-1) with almost no capacity fade at fast discharge rates under selected cycling protocols. A combination of operando X-ray absorption spectroscopy at the S K-edge, and electrochemical studies demonstrate that lithium polysulphides are indeed formed in these ACN-complexed systems. Their limited dissolution and mobility in the electrolyte strongly affect the speciation and polysulphide equilibria, leading to controlled precipitation of Li2S. C1 [Cuisinier, M.; Cabelguen, P. -E.; Adams, B. D.; Nazar, L. F.] Univ Waterloo, Dept Chem, Inst Nanotechnol, Waterloo, ON N2L 3G1, Canada. [Garsuch, A.] BASF SE, D-67056 Ludwigshafen, Germany. [Balasubramanian, M.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Cuisinier, M (reprint author), Univ Waterloo, Dept Chem, Inst Nanotechnol, 200 Univ Ave W, Waterloo, ON N2L 3G1, Canada. EM lfnazar@uwaterloo.ca OI Cuisinier, Marine/0000-0002-0690-9755; Nazar, Linda/0000-0002-3314-8197 FU BASF International Scientific Network for Electrochemistry and Batteries; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The research was supported by the BASF International Scientific Network for Electrochemistry and Batteries. Use of the Advanced Photon Source (APS) was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no DE-AC02-06CH11357. We thank Dr T. Bolin for helping with the acquisition of the XANES data at the APS. NR 34 TC 61 Z9 61 U1 18 U2 161 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2014 VL 7 IS 8 BP 2697 EP 2705 DI 10.1039/c4ee00372a PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AM4YJ UT WOS:000339861800026 ER PT J AU Mills, E Gengnagel, T Wollburg, P AF Mills, Evan Gengnagel, Tim Wollburg, Philipp TI Solar-LED alternatives to fuel-based Lighting for night fishing SO ENERGY FOR SUSTAINABLE DEVELOPMENT LA English DT Article DE Fuel-based lighting; Artisanal fishing; Productive use; Energy savings; Economics; Greenhouse gases AB Many of the 12 to 33 million artisanal ("small scale") fishers in the developing world work at night using energy-intensive kerosene lanterns to attract fish to their nets. In Tanzania-where 100,000 such fishers operate, spending US$70 million per year on lighting-we identified current practices and conducted user-centered field tests of LED-based system usability, performance and energy savings potential, and estimated the market size for today's fuel-based lighting. Fishers in the areas we studied spend 35% to 50% of their take-home pay on lighting equipment and fuel. Due to the combination of higher intensity pressurized lanterns, and longer operating hours, Tanzanian fishers use as much lighting fuel as would about 1 million ordinary household lanterns. We found that similar catches could be obtained with battery-powered LED lighting systems, with a simple payback time for the LED system investment of three to four months. The fishers we interviewed were almost universally pleased with the concept behind the lights used in the field tests, and eager to purchase them provided the right price and performance. However none of the LED systems we tested were adequate for this use. Essential product modifications include improved durability and performance in harsh fishing environments. Independent testing and certification would encourage product quality and support consumer confidence as they adopt these highly beneficial new technologies. Our results provide a roadmap for product manufacturers and others interested in deployment, with an overnight-conversion market size of US$17 to US$21 million in Tanzania alone, plus US$6 to US$7 million per year in ongoing replacement expenditures. This potential could well justify retooling and marketing investment on the part of lighting manufacturers. (C) 2014 International Energy Initiative. Published by Elsevier Inc. All rights reserved. C1 [Mills, Evan] Univ CA, Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Gengnagel, Tim; Wollburg, Philipp] Univ Bayreuth, Bayreuth, Germany. RP Mills, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, MS-90-2000, Berkeley, CA 94720 USA. EM emills@lbl.gov FU Rosenfeld Fund of the Blum Center for Developing Economies at UC Berkeley, through the U.S. Department of Energy [7004015, DE-AC02-05CH11231]; Foundation of the German Economy (Stiftung der Deutschen Wirtschaft) [7004015] FX This work was funded by The Rosenfeld Fund of the Blum Center for Developing Economies (Grant No. 7004015) at UC Berkeley, through the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Art Rosenfeld has been a key supporter of this work. This article is based on an in-depth study by Gengnegal et al. (2013) which benefitted from valuable conversations and cooperation of many fishers, and other local experts acknowledged in context in the paper. Peter Alstone, Hannes Bester, Stewart Craine, Rodd Eddy, Mark Hankins, Mason Huffine, Steve Katsaros, Francis Rubinstein, Axel Scholle, Yafei Wang, and Eric Youngren provided early suggestions on methodology or comments on the review draft. We would also like to thank Dirk Reichel and the Foundation of the German Economy (Stiftung der Deutschen Wirtschaft) (Grant No. 7004015) for their support. NR 33 TC 6 Z9 6 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0973-0826 J9 ENERGY SUSTAIN DEV JI Energy Sustain Dev. PD AUG PY 2014 VL 21 BP 30 EP 41 DI 10.1016/j.esd.2014.04.006 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AM3TH UT WOS:000339775200005 ER PT J AU Orlandini, G Bacca, S Barnea, N Hagen, G Miorelli, M Papenbrock, T AF Orlandini, Giuseppina Bacca, Sonia Barnea, Nir Hagen, Gaute Miorelli, Mirko Papenbrock, Thomas TI Coupling the Lorentz Integral Transform (LIT) and the Coupled Cluster (CC) Methods: A Way Towards Continuum Spectra of "Not-So-Few-Body" Systems SO FEW-BODY SYSTEMS LA English DT Article; Proceedings Paper CT The 22nd European Conference on Few-Body Problems in Physics CY SEP 09-13, 2013 CL Jagiellonian Univ, Cracow, POLAND HO Jagiellonian Univ ID RESPONSE FUNCTIONS AB Here we summarize how the LIT and CC methods can be coupled, in order to allow for ab initio calculations of reactions in medium mass nuclei. Results on O-16 are reviewed and preliminary calculations on Ca-40 are presented. C1 [Orlandini, Giuseppina; Miorelli, Mirko] Univ Trento, Dept Phys, I-38123 Trento, Italy. [Orlandini, Giuseppina] Ist Nazl Fis Nucl, Grp Collegato Trento, I-38123 Trento, Italy. [Bacca, Sonia; Miorelli, Mirko] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Bacca, Sonia] Univ Manitoba, Dept Phys & Astron, Winnipeg, MB R3T 2N2, Canada. [Barnea, Nir] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Hagen, Gaute; Papenbrock, Thomas] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Hagen, Gaute; Papenbrock, Thomas] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Orlandini, G (reprint author), Univ Trento, Dept Phys, Via Sommarive 14, I-38123 Trento, Italy. EM orlandin@science.unitn.it; bacca@triumf.ca; nir@phys.huji.ac.il; hageng@ornl.gov; mirko.miorelli@studenti.unitn.it; tpapenbr@utk.edu RI Barnea, Nir/F-8960-2011; OI Barnea, Nir/0000-0001-8036-3052; Papenbrock, Thomas/0000-0001-8733-2849 FU MIUR [PRIN-2009TWL3MX]; Natural Sciences and Engineering Research Council; National Research Council of Canada; Israel Science Foundation [954/09]; US-Israel Binational Science Foundation [2012212]; Office of Nuclear Physics, U.S. Department of Energy (Oak Ridge National Laboratory); Office of Science of the Department of Energy [DE-AC05-00OR22725]; NUCLEI SciDAC collaboration [DE-SC0008499] FX This work was supported by the MIUR grant PRIN-2009TWL3MX, the Natural Sciences and Engineering Research Council, the National Research Council of Canada, the Israel Science Foundation (Grant number 954/09), the US-Israel Binational Science Foundation (Grant No 2012212), the Office of Nuclear Physics, U.S. Department of Energy (Oak Ridge National Laboratory) and DE-SC0008499 (NUCLEI SciDAC collaboration). Computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Oak Ridge Leadership Computing Facility located in the Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract No. DE-AC05-00OR22725, and used computational resources of the National Center for Computational Sciences, the National Institute for Computational Sciences. NR 16 TC 3 Z9 3 U1 1 U2 4 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD AUG PY 2014 VL 55 IS 8-10 BP 907 EP 911 DI 10.1007/s00601-013-0772-4 PG 5 WC Physics, Multidisciplinary SC Physics GA AM4MO UT WOS:000339828900067 ER PT J AU Gibson, BF Afnan, IR AF Gibson, B. F. Afnan, I. R. TI H-6(Lambda) Modeled as H-4(Lambda) + n + n SO FEW-BODY SYSTEMS LA English DT Article; Proceedings Paper CT The 22nd European Conference on Few-Body Problems in Physics CY SEP 09-13, 2013 CL Jagiellonian Univ, Cracow, POLAND HO Jagiellonian Univ ID LI-6 AB A three-body calculation for the and hypernuclei has been undertaken. The respective cores are . The interactions in the system, modeled as , are reasonably well known. For example, the p n interaction is well determined by the p n scattering data, the -p interaction can be fitted to the binding energy. The -n interaction can be fitted to alpha-n scattering data. For the He-4-n system the s-wave can be modeled alternatively as a repulsive potential or as an attractive potential with a forbidden bound state. We explore these alternatives in He-6, because the interaction comes into play in modeling as well as in our + n + n model of , where the valence neutrons are Pauli blocked from the s-shell of the core nucleus. C1 [Gibson, B. F.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Afnan, I. R.] Flinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia. RP Gibson, BF (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM bfgibson@lanl.gov FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX The work of BFG was performed under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No DE-AC52-06NA25396. NR 12 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD AUG PY 2014 VL 55 IS 8-10 BP 913 EP 916 DI 10.1007/s00601-014-0816-4 PG 4 WC Physics, Multidisciplinary SC Physics GA AM4MO UT WOS:000339828900068 ER PT J AU Romero-Redondo, C Navratil, P Quaglioni, S Hupin, G AF Romero-Redondo, C. Navratil, P. Quaglioni, S. Hupin, G. TI Ab Initio NCSM/RGM for Three-Body Cluster Systems and Application to He-4+n+n SO FEW-BODY SYSTEMS LA English DT Article; Proceedings Paper CT The 22nd European Conference on Few-Body Problems in Physics CY SEP 09-13, 2013 CL Jagiellonian Univ, Cracow, POLAND HO Jagiellonian Univ AB We introduce an extension of the ab initio no-core shell model/resonating group method (NCSM/RGM) in order to describe three-body cluster states. We present results for the He-6 ground state within a He-4+n+n cluster basis as well as first results for the phase shifts of different channels of the He-4+n+n system which provide information about low-lying resonances of this nucleus. C1 [Romero-Redondo, C.; Navratil, P.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Quaglioni, S.; Hupin, G.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Romero-Redondo, C (reprint author), TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. EM c.romeroredondo@gmail.com FU LLNL [DE-AC52-07NA27344]; U.S. DOE/SC/NP [SCW1158]; NSERC [401945-2011] FX Computing support for this work came from the LLNL institutional Computing Grand Challenge program and from an INCITE Award on the Titan supercomputer of the Oak Ridge Leadership Computing Facility (OLCF) at ORNL. Prepared in part by LLNL under Contract DE-AC52-07NA27344. Support from the U.S. DOE/SC/NP (Work Proposal No. SCW1158) and NSERC Grant No. 401945-2011 is acknowledged. TRIUMF receives funding via a contribution through the Canadian National Research Council. NR 13 TC 1 Z9 1 U1 0 U2 5 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD AUG PY 2014 VL 55 IS 8-10 BP 927 EP 930 DI 10.1007/s00601-014-0876-5 PG 4 WC Physics, Multidisciplinary SC Physics GA AM4MO UT WOS:000339828900071 ER PT J AU Hupin, G Quaglioni, S Langhammer, J Navratil, P Calci, A Roth, R AF Hupin, G. Quaglioni, S. Langhammer, J. Navratil, P. Calci, A. Roth, R. TI Progress on Light-Ion Fusion Reactions with Three-Nucleon Forces SO FEW-BODY SYSTEMS LA English DT Article; Proceedings Paper CT The 22nd European Conference on Few-Body Problems in Physics CY SEP 09-13, 2013 CL Jagiellonian Univ, Cracow, POLAND HO Jagiellonian Univ AB The description of structural and dynamical properties of nuclei starting from the fundamental interaction between nucleons has been a long-standing goal in nuclear physics. The ab initio No-Core Shell Model combined with the Resonating-Group Method (NCSM/RGM) is capable of addressing both structural and reaction properties of light-nuclei. While promising results have already been achieved starting from a two-body Hamiltonian, a truly realistic prediction of nuclear observables requires the treatment of the three-nucleon interaction. Using similarity-renormalization-group evolved two- and three-nucleon interactions, we will present recent applications to n-He-4 scattering process when accounting for the chiral two- plus three-nucleon interaction versus the chiral two-nucleon interaction. We compare our results to phase shifts obtained from R-matrix analysis of data up to 16 MeV neutron energy, below the d-H-3 threshold. C1 [Hupin, G.; Quaglioni, S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Langhammer, J.; Calci, A.; Roth, R.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Navratil, P.] TRIUMF, Vancouver, BC V6T 2A3, Canada. RP Hupin, G (reprint author), Lawrence Livermore Natl Lab, L-414,POB 808, Livermore, CA 94551 USA. EM hupin1@llnl.gov FU LLNL [DE-AC52-07NA27344]; U.S. DOE/SC/NP [SCW1158]; Deutsche Forschungsgemeinschaft [SFB 634]; Helmholtz International Center for FAIR; BMBF [06DA7074I]; NSERC [401945-2011]; Canadian National Research Council; Office of Science of the U.S. Department of Energy [DE-AC02-05CHH11231] FX Prepared in part by LLNL under Contract DE-AC52-07NA27344. We acknowledge support from the U.S. DOE/SC/NP (Work Proposal No. SCW1158), from the Deutsche Forschungsgemeinschaft through contract SFB 634, from the Helmholtz International Center for FAIR within the framework of the LOEWE program launched by the State of Hesse, from the BMBF through contract 06DA7074I and from the NSERC Grant No. 401945-2011. TRIUMF receives funding via a contribution through the Canadian National Research Council. Computing support for this work came from the LLNL institutional Computing Grand Challenge program, the Julich Supercomputing Center, the LOEWE-CSC Frankfurt, and the National Energy Research Scientific Computing Center supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CHH11231. NR 12 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD AUG PY 2014 VL 55 IS 8-10 BP 1013 EP 1016 DI 10.1007/s00601-013-0800-4 PG 4 WC Physics, Multidisciplinary SC Physics GA AM4MO UT WOS:000339828900090 ER PT J AU Neal-Kluever, A Aungst, J Gu, Y Hatwell, K Muldoon-Jacobs, K Liem, A Ogungbesan, A Shackelford, M AF Neal-Kluever, April Aungst, Jason Gu, Yan Hatwell, Karen Muldoon-Jacobs, Kristi Liem, Ayesha Ogungbesan, Adejoke Shackelford, Mary TI Infant toxicology: State of the science and considerations in evaluation of safety SO FOOD AND CHEMICAL TOXICOLOGY LA English DT Review DE Infants; Toxicology; Safety assessment; Developmental toxicology ID RESPIRATORY SYNCYTIAL VIRUS; AGE-RELATED DIFFERENCES; EXPERT WORKING GROUP; RISK-ASSESSMENT; DEVELOPMENTAL NEUROTOXICITY; LIFE STAGES; PHARMACOKINETIC DIFFERENCES; RETROSPECTIVE ANALYSIS; REPRODUCTIVE TOXICITY; NEWBORN-INFANTS AB Differences in the physiology and biological susceptibilities of adults and infants have led to growing interest in safety evaluation methods for exposures from infant formula packaging. In addition to potential physiological differences, infants aged 0-6 months may consume a sole source of food, infant formula or breast milk, and consume higher amounts of food relative to body weight compared to adults. While the duration of the exposure is short compared to the expected lifespan of the individual, it occurs during a period of important developmental processes. The purpose of this document is to (1) review key biological and exposure elements that may impact the evaluation of safety for food contact products intended for use by infants, (2) summarize the current reproductive and developmental toxicity testing protocols available, and (3) identify potential data gaps concerning this period of development. (C) 2014 Published by Elsevier Ltd. C1 [Neal-Kluever, April; Aungst, Jason; Gu, Yan; Hatwell, Karen; Muldoon-Jacobs, Kristi; Ogungbesan, Adejoke; Shackelford, Mary] US FDA, Ctr Food Safety & Appl Nutr, Off Food Addit Safety, Div Food Contact Notificat, College Pk, MD 20740 USA. [Liem, Ayesha] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Neal-Kluever, A (reprint author), US FDA, Ctr Food Safety & Appl Nutr, Off Food Addit Safety, Div Food Contact Notificat, 5100 Paint Branch Pkwy,HFS 275, College Pk, MD 20740 USA. EM april.kluever@fda.hhs.gov NR 171 TC 4 Z9 5 U1 1 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-6915 EI 1873-6351 J9 FOOD CHEM TOXICOL JI Food Chem. Toxicol. PD AUG PY 2014 VL 70 BP 68 EP 83 DI 10.1016/j.fct.2014.05.003 PG 16 WC Food Science & Technology; Toxicology SC Food Science & Technology; Toxicology GA AM1IO UT WOS:000339599800010 PM 24824476 ER PT J AU Samel, SA Fernandez-Cid, A Sun, JC Riera, A Tognetti, S Herrera, MC Li, HL Speck, C AF Samel, Stefan A. Fernandez-Cid, Alejandra Sun, Jingchuan Riera, Alberto Tognetti, Silvia Herrera, M. Carmen Li, Huilin Speck, Christian TI A unique DNA entry gate serves for regulated loading of the eukaryotic replicative helicase MCM2-7 onto DNA SO GENES & DEVELOPMENT LA English DT Article DE DNA replication; replicative helicase; pre-RC; DNA licensing; cancer; genomic stability ID CELL NUCLEAR ANTIGEN; ATP-HYDROLYSIS; ORIGIN DNA; SACCHAROMYCES-CEREVISIAE; BUDDING YEAST; ORC/CDC6/MCM2-7 COMPLEX; HEXAMERIC HELICASE; ACTIVE-SITES; FACTOR-C; BINDING AB The regulated loading of the replicative helicase minichromosome maintenance proteins 2-7 (MCM2-7) onto replication origins is a prerequisite for replication fork establishment and genomic stability. Origin recognition complex (ORC), Cdc6, and Cdt1 assemble two MCM2-7 hexamers into one double hexamer around dsDNA. Although the MCM2-7 hexamer can adopt a ring shape with a gap between Mcm2 and Mcm5, it is unknown which Mcm interface functions as the DNA entry gate during regulated helicase loading. Here, we establish that the Saccharomyces cerevisiae MCM2-7 hexamer assumes a closed ring structure, suggesting that helicase loading requires active ring opening. Using a chemical biology approach, we show that ORC-Cdc6-Cdt1-dependent helicase loading occurs through a unique DNA entry gate comprised of the Mcm2 and Mcm5 subunits. Controlled inhibition of DNA insertion triggers ATPase-driven complex disassembly in vitro, while in vivo analysis establishes that Mcm2/Mcm5 gate opening is essential for both helicase loading onto chromatin and cell cycle progression. Importantly, we demonstrate that the MCM2-7 helicase becomes loaded onto DNA as a single hexamer during ORC/Cdc6/Cdt1/MCM2-7 complex formation prior to MCM2-7 double hexamer formation. Our study establishes the existence of a unique DNA entry gate for regulated helicase loading, revealing key mechanisms in helicase loading, which has important implications for helicase activation. C1 [Samel, Stefan A.; Fernandez-Cid, Alejandra; Riera, Alberto; Tognetti, Silvia; Herrera, M. Carmen; Speck, Christian] Univ London Imperial Coll Sci Technol & Med, Inst Clin Sci, DNA Replicat Grp, London W12 0NN, England. [Sun, Jingchuan; Li, Huilin] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. RP Speck, C (reprint author), Univ London Imperial Coll Sci Technol & Med, Inst Clin Sci, DNA Replicat Grp, London W12 0NN, England. EM chris.speck@imperial.ac.uk RI Tognetti, Silvia/G-6059-2015; Speck, Christian/G-2882-2011; OI Tognetti, Silvia/0000-0002-7331-214X; Speck, Christian/0000-0001-6646-1692; Fernandez-Cid, Alejandra/0000-0002-6746-6791 FU Medical Research Council; German Research Foundation (DFG) [SA 2181/1] FX We thank Bruce Stillman for Mcm2, Mcm3, Cdt1 (CS1411), and Orc3 (SB3) antibodies; Stefan Gruber and Kim Nasmyth for the rapamycin-resistant yeast strain; Luis Aragon for the Pmet-Cdc20-TRP plasmid; and the Medical Research Council for funding. S.A.S. was supported by a Fellowship from the German Research Foundation (DFG; grant SA 2181/1). NR 54 TC 38 Z9 38 U1 0 U2 12 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 0890-9369 EI 1549-5477 J9 GENE DEV JI Genes Dev. PD AUG 1 PY 2014 VL 28 IS 15 BP 1653 EP 1666 DI 10.1101/gad.242404.114 PG 14 WC Cell Biology; Developmental Biology; Genetics & Heredity SC Cell Biology; Developmental Biology; Genetics & Heredity GA AM5EX UT WOS:000339880200004 PM 25085418 ER PT J AU Cybart, SA Yen, PXT Cho, EY Huh, JU Glyantsev, VN Yung, CS Moeckly, B Beeman, JW Dynes, RC AF Cybart, Shane A. Yen, Patricia X. T. Cho, Ethan Y. Huh, Jeong Uk Glyantsev, V. N. Yung, Christopher S. Moeckly, Brian Beeman, Jeffrey W. Dynes, Robert C. TI Comparison of Y-Ba-Cu-O Films Irradiated With Helium and Neon Ions for the Fabrication of Josephson Devices SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article; Proceedings Paper CT IEEE 14th International Superconductive Electronics Conference (ISEC) CY JUL 07-11, 2013 CL Cambridge, MA SP IEEE, IEEE Council Superconduct, Out Fog Res, Russian Quantum Ctr, ONR, Dept Navy DE Ion implantation; high temperature superconductor ID HIGH-TEMPERATURE SUPERCONDUCTORS; THIN-FILMS; YBA2CU3O7-DELTA; DAMAGE; JUNCTIONS; ARRAYS; TRANSPORT; ENERGY; OXYGEN AB We have irradiated high-quality YBa2Cu3O7-delta thin films with 90-keV helium and 175-keV neon ions to compare how ions of different mass affect electrical transport and reduce superconducting transition temperature. We measure the temperature dependence of the resistivity for films irradiated with different fluence and compare the results with Monte Carlo ion implantation simulations. We observe a smaller increase in resistivity for films irradiated with neon than those irradiated with helium for an equivalent reduction in transition temperature. We attribute this observation to nonuniform damage throughout the thickness of the film when irradiated with neon, as opposed to a more uniform damage profile in the case of helium irradiation. C1 [Cybart, Shane A.; Cho, Ethan Y.; Dynes, Robert C.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Cybart, Shane A.; Yen, Patricia X. T.; Beeman, Jeffrey W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Huh, Jeong Uk; Glyantsev, V. N.; Yung, Christopher S.; Moeckly, Brian] Superconductor Technol Inc, Santa Barbara, CA 93111 USA. RP Cybart, SA (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM scybart@ucsd.edu FU U.S. Air Force Office of Scientific Research [FA9550-07-1-0493]; U.S. Office of Naval Research [N00014-11-1-0049]; Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy [DEAC02-05CH11231] FX This work was supported in part by the U.S. Air Force Office of Scientific Research under Grant FA9550-07-1-0493, by the U.S. Office of Naval Research under Grant N00014-11-1-0049, and by the Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy under Contract DEAC02-05CH11231. This paper was recommended by Associate Editor N. Newman. NR 27 TC 1 Z9 1 U1 3 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD AUG PY 2014 VL 24 IS 4 AR 1100105 DI 10.1109/TASC.2014.2311400 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AM7ZZ UT WOS:000340089200002 ER PT J AU Salmi, T Arbelaez, D Caspi, S Felice, H Mentink, MGT Prestemon, S Stenvall, A ten Kate, HHJ AF Salmi, T. Arbelaez, D. Caspi, S. Felice, H. Mentink, M. G. T. Prestemon, S. Stenvall, A. ten Kate, H. H. J. TI A Novel Computer Code for Modeling Quench Protection Heaters in High-Field Nb3Sn Accelerator Magnets SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article; Proceedings Paper CT IEEE 14th International Superconductive Electronics Conference (ISEC) CY JUL 07-11, 2013 CL Cambridge, MA SP IEEE, IEEE Council Superconduct, Out Fog Res, Russian Quantum Ctr, ONR, Dept Navy DE Protection heaters; quench protection; superconducting magnets; thermal modeling AB This paper presents a recently developed Code for Heater Delay Analysis (CoHDA), which is a tool for modeling protection heater induced quenches in superconducting Nb3Sn high-field accelerator magnets. The CoHDA thermal model numerically computes the heat diffusion from the heater to the coil and estimates the time delay to quench initiation by comparing the coil temperature with its critical surface. The model takes into account heater geometry, power, and various insulation layers and coil properties. Computational heater delays are compared with experimental data from the U.S. Large Hadron Collider Accelerator Research Program Nb3Sn High-Gradient Quadrupole magnet with good agreement. Based on the results, CoHDA provides a useful tool for quench protection design in impregnated magnets. C1 [Salmi, T.; Arbelaez, D.; Caspi, S.; Felice, H.; Prestemon, S.] Lawrence Berkeley Natl Lab, Berkeley, CA 94620 USA. [Mentink, M. G. T.; ten Kate, H. H. J.] Univ Twente, NL-7522 Enschede, Netherlands. [Stenvall, A.] Tampere Univ Technol, Tampere 33720, Finland. RP Salmi, T (reprint author), Tampere Univ Technol, Tampere 33720, Finland. EM tiina.salmi@tut.fi FU U.S. Department of Energy [BS123456]; Academy of Finland [250652] FX This work was supported in part by the U.S. Department of Energy under Grant BS123456 and in part by the Academy of Finland under Project 250652: Stability Analysis of Superconducting 566 Hybrid Magnets. This paper was recommended by Associate Editor L. Chiesa. NR 23 TC 7 Z9 7 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD AUG PY 2014 VL 24 IS 4 AR 4701810 DI 10.1109/TASC.2014.2311402 PG 10 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AM7ZZ UT WOS:000340089200019 ER PT J AU Lawrence, SK Somerday, BP Moody, NR Bahr, DF AF Lawrence, Samantha K. Somerday, Brian P. Moody, Neville R. Bahr, David F. TI Grain Boundary Contributions to Hydrogen-Affected Plasticity in Ni-201 SO JOM LA English DT Article ID DISLOCATION NUCLEATION; ELECTROCHEMICAL NANOINDENTATION; INTERGRANULAR FRACTURE; NICKEL; DEFORMATION; IRON; EMBRITTLEMENT; METALS; TRANSMISSION; INDENTATIONS AB Hydrogen embrittlement of structural materials, such as nickel-based alloys, is often characterized by enhanced dislocation processes as well as grain boundary decohesion leading to macroscale intergranular fracture. Nanoindentation and scanning probe microscopy (SPM) were used to characterize slip transfer across random grain boundaries and I 3 pound recrystallization twins in annealed Ni-201. Thermal hydrogen charging leads to an increase in slip step width within pileups produced by nanoindentation along grain boundaries. The likelihood of slip transmission in the presence of hydrogen depends on the ease of slip within adjacent grains as well as on the misorientation of the grain boundary between them. The observed changes suggest that hydrogen limits dislocation cross-slip while increasing overall dislocation mobility. Coupled nanoindentation and SPM investigations provide a unique, local method for analyzing hydrogen effects on dislocation plasticity, which will be useful in developing grain-boundary-engineered materials. C1 [Lawrence, Samantha K.; Bahr, David F.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Somerday, Brian P.; Moody, Neville R.] Sandia Natl Labs, Livermore, CA USA. RP Lawrence, SK (reprint author), Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. EM dfbahr@purdue.edu RI Bahr, David/A-6521-2012; OI Bahr, David/0000-0003-2893-967X; Lawrence, Samantha/0000-0002-7900-4391 FU Stewardship Science Graduate Fellowship Program [DE-FC52-08NA28752]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Stewardship Science Graduate Fellowship Program under grant number DE-FC52-08NA28752 (to S. K. L.). Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors would like to thank J.A. Campbell for assistance with hydrogen charging. NR 44 TC 6 Z9 6 U1 2 U2 25 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD AUG PY 2014 VL 66 IS 8 BP 1383 EP 1389 DI 10.1007/s11837-014-1062-4 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AM5IL UT WOS:000339890500008 ER PT J AU Dadfarnia, M Somerday, BP Schembri, PE Sofronis, P Foulk, JW Nibur, KA Balch, DK AF Dadfarnia, Mohsen Somerday, Brian P. Schembri, Philip E. Sofronis, Petros Foulk, James W., III Nibur, Kevin A. Balch, Dorian K. TI On Modeling Hydrogen-Induced Crack Propagation Under Sustained Load SO JOM LA English DT Article ID NICKEL-BASE ALLOYS; EMBRITTLEMENT; STEEL; MICROMECHANICS; TRANSPORT; STRESS; TIP AB The failure of hydrogen containment components is generally associated with subcritical cracking. Understanding subcritical crack growth behavior and its dependence on material and environmental variables can lead to methods for designing structural components in a hydrogen environment and will be beneficial in developing materials resistant to hydrogen embrittlement. In order to identify the issues underlying crack propagation and arrest, we present a model for hydrogen-induced stress-controlled crack propagation under sustained loading. The model is based on the assumptions that (I) hydrogen reduces the material fracture strength and (II) crack propagation takes place when the opening stress over the characteristic distance ahead of a crack tip is greater than the local fracture strength. The model is used in a finite-element simulation of crack propagation coupled with simultaneous hydrogen diffusion in a model material through nodal release. The numerical simulations show that the same physics, i.e., diffusion-controlled crack propagation, can explain the existence of both stages I and II in the velocity versus stress intensity factor (V-K) curve. C1 [Dadfarnia, Mohsen; Sofronis, Petros] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA. [Somerday, Brian P.; Foulk, James W., III; Balch, Dorian K.] Sandia Natl Labs, Livermore, CA 94551 USA. [Schembri, Philip E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Nibur, Kevin A.] Hy Performance Mat Testing LLC, Bend, OR 97701 USA. [Dadfarnia, Mohsen; Somerday, Brian P.; Sofronis, Petros] Kyushu Univ, Int Inst Carbon Neutral Energy Res WPI I2CNER, Nishi Ku, Fukuoka 8190395, Japan. RP Dadfarnia, M (reprint author), Univ Illinois, Dept Mech Sci & Engn, 1206 West Green St, Urbana, IL 61801 USA. EM sofronis@illinois.edu RI U-ID, Kyushu/C-5291-2016; OI Dadfarnia, Mohsen/0000-0002-5218-971X FU International Institute for Carbon Neutral Energy Research (WPI-I2 CNER); World Premier International Research Center Initiative (WPI), MEXT, Japan; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Los Alamos National Laboratory of the U.S. Department of Energy [DE-AC52-06NA25396] FX The M. D., B. P. S., and P. S. gratefully acknowledge the support of the International Institute for Carbon Neutral Energy Research (WPI-I2 CNER), sponsored by the World Premier International Research Center Initiative (WPI), MEXT, Japan. B. P. S., J.W.F., and D. K. B. acknowledge support from Sandia National Laboratories, a multiprogram laboratory managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. P. E. S. acknowledges support from Los Alamos National Laboratory, an affirmative action/equal opportunity employer, operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 21 TC 6 Z9 6 U1 1 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD AUG PY 2014 VL 66 IS 8 BP 1390 EP 1398 DI 10.1007/s11837-014-1050-8 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AM5IL UT WOS:000339890500009 ER PT J AU Imhoff, SD AF Imhoff, S. D. TI Length-Scale Selection and Microstructural Patterning During Phase Transformations SO JOM LA English DT Editorial Material C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Imhoff, SD (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS G770,POB 1663, Los Alamos, NM 87545 USA. EM sdi@lanl.gov NR 4 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD AUG PY 2014 VL 66 IS 8 BP 1464 EP 1464 DI 10.1007/s11837-014-1071-3 PG 1 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AM5IL UT WOS:000339890500019 ER PT J AU Gibbs, PJ Imhoff, SD Morris, CL Merrill, FE Wilde, CH Nedrow, P Mariam, FG Fezzaa, K Lee, WK Clarke, AJ AF Gibbs, P. J. Imhoff, S. D. Morris, C. L. Merrill, F. E. Wilde, C. H. Nedrow, P. Mariam, F. G. Fezzaa, K. Lee, W-K Clarke, A. J. TI Multiscale X-ray and Proton Imaging of Bismuth-Tin Solidification SO JOM LA English DT Article ID IN-SITU; VIDEO MICROSCOPY; RADIOGRAPHY; GROWTH; ALLOY; SCIENCE AB The formation of structural patterns during metallic solidification is complex and multiscale in nature, ranging from the nanometer scale, where solid-liquid interface properties are important, to the macroscale, where casting mold filling and intended heat transfer are crucial. X-ray and proton imaging can directly interrogate structure, solute, and fluid flow development in metals from the microscale to the macroscale. X-rays permit high spatio-temporal resolution imaging of microscopic solidification dynamics in thin metal sections. Similarly, high-energy protons permit imaging of mesoscopic and macroscopic solidification dynamics in large sample volumes. In this article, we highlight multiscale x-ray and proton imaging of bismuth-tin alloy solidification to illustrate dynamic measurement of crystal growth rates and solute segregation profiles that can be that can be acquired using these techniques. C1 [Gibbs, P. J.; Imhoff, S. D.; Morris, C. L.; Merrill, F. E.; Wilde, C. H.; Nedrow, P.; Mariam, F. G.; Clarke, A. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Fezzaa, K.] Argonne Natl Lab, Argonne, IL 60439 USA. [Lee, W-K] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Gibbs, PJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM aclarke@lanl.gov OI Morris, Christopher/0000-0003-2141-0255; Merrill, Frank/0000-0003-0603-735X FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) Division of Materials Sciences and Engineering under A.J. Clarke's Early Career Award; U.S. DOE [DE-AC02-06CH11357]; NNSA Science Campaigns; [DE-AC52-06NA25396] FX We thank B.J. Hollander, A. Saunders, C.J. Espinoza, C. Danly, the pRad Team, T. V. Beard, R. W. Hudson, B. S. Folks, D. A. Aragon, T.J. Tucker, J.C. Cooley, and K. D. Clarke (LANL) and A. Deriy (ANL-APS) for providing experimental support. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) Division of Materials Sciences and Engineering under A.J. Clarke's Early Career Award. Use of the APS, an Office of Science User Facility operated for the U. S. DOE Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under contract no. DE-AC02-06CH11357; x-ray data were collected at the Sector 32-ID-C beamline. We also acknowledge Los Alamos National Security, LLC, operator of the Los Alamos National Laboratory under contract number DE-AC52-06NA25396. This work also benefited from the use of the Proton Radiography Facility, a user facility at the Los Alamos Neutron Science Center at Los Alamos National Laboratory, sponsored primarily by NNSA Science Campaigns. NR 33 TC 2 Z9 2 U1 3 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD AUG PY 2014 VL 66 IS 8 BP 1485 EP 1492 DI 10.1007/s11837-014-1058-0 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AM5IL UT WOS:000339890500023 ER PT J AU Heo, TW Chen, LQ AF Heo, Tae Wook Chen, Long-Qing TI Phase-Field Modeling of Nucleation in Solid-State Phase Transformations SO JOM LA English DT Article ID SHRINKING DIMER DYNAMICS; INTERFACIAL FREE-ENERGY; FINDING SADDLE-POINTS; ELASTIC BAND METHOD; CRITICAL NUCLEUS; MICROSTRUCTURE EVOLUTION; NONCLASSICAL NUCLEATION; HOMOGENEOUS NUCLEATION; CRYSTAL NUCLEATION; NONUNIFORM SYSTEM AB Nucleation is a critically important process as the rate of nucleation determines the number density of new phase particles and thus microstructures of a material during phase transformations. Predicting and controlling nucleation rates in solids is one of the grand challenges in materials science because the spatial scale involved in nucleation is at the atomic/nanoscale, the rate of nucleation process is extremely temperature sensitive, and the morphology of a critical nucleus can be highly nonspherical and complex. In this article, we briefly review the recent advances in modeling and predicting nucleation during solid-phase transformations based on the diffuse-interface or nonclassical description of critical nucleus profiles. The focus is on predicting the critical nucleus morphology and nucleation free energy barrier under the influence of anisotropic interfacial energy and elastic interactions. Incorporation of nucleation events in phase-field modeling of solid-to-solid phase transformations and microstructure evolution is also discussed. C1 [Heo, Tae Wook] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. [Chen, Long-Qing] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Heo, TW (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. EM heo1@llnl.gov; lqc3@psu.edu FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [12-ERD-053]; NSF [CMMI-1235092]; DOE Basic Sciences under the CMCSN Program FX The work of T. W. Heo was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 12-ERD-053. L. Q. Chen acknowledges the financial support by NSF under CMMI-1235092 and DOE Basic Sciences under the CMCSN Program. We acknowledge the figure permissions from the American Physical Society, Elsevier, Springer, Global Science Press, Taylor & Francis, IOP Publishing, and Dr. L. Zhang. NR 53 TC 8 Z9 8 U1 2 U2 26 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD AUG PY 2014 VL 66 IS 8 BP 1520 EP 1528 DI 10.1007/s11837-014-1033-9 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AM5IL UT WOS:000339890500028 ER PT J AU Fahrni, CJ Morgan, MT Bagchi, P Bourassa, D Issaeva, I McCallum, A Gleber, SC Vogt, S AF Fahrni, Christoph J. Morgan, M. Thomas Bagchi, Pritha Bourassa, Daisy Issaeva, Irina McCallum, Adam Gleber, Sophie-Charlotte Vogt, Stefan TI Illuminating biological trace metals with high- and low-energy photons SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Meeting Abstract CT 12th European Biological Inorganic Chemistry Conference (EuroBIC) CY AUG 24-28, 2014 CL Zurich, SWITZERLAND SP Univ Zurich C1 [Fahrni, Christoph J.; Morgan, M. Thomas; Bagchi, Pritha; Bourassa, Daisy; Issaeva, Irina; McCallum, Adam] Georgia Inst Technol, Sch Chem & Biochem, Petit Inst Bioengn & Biosci, Atlanta, GA 30332 USA. [Gleber, Sophie-Charlotte; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. EM fahrni@chemistry.gatech.edu RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 NR 3 TC 0 Z9 0 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD AUG PY 2014 VL 19 SU 2 MA SL 4 BP S714 EP S714 PG 1 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AM5CY UT WOS:000339874700025 ER PT J AU Shaw, WJ Lense, S Dutta, A Roberts, JAS Ginovska-Pangovska, B AF Shaw, Wendy J. Lense, Sheri Dutta, Arnab Roberts, John A. S. Ginovska-Pangovska, Bojana TI Proton channels and structured peptides for H-2 oxidation electrocatalysts to mimic hydrogenase SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Meeting Abstract CT 12th European Biological Inorganic Chemistry Conference (EuroBIC) CY AUG 24-28, 2014 CL Zurich, SWITZERLAND SP Univ Zurich C1 [Shaw, Wendy J.; Dutta, Arnab; Roberts, John A. S.; Ginovska-Pangovska, Bojana] Pacific NW Natl Lab, Richland, WA 99354 USA. [Lense, Sheri] Univ Wisconsin, Oshkosh, WI 54901 USA. NR 4 TC 0 Z9 0 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD AUG PY 2014 VL 19 SU 2 MA P 226 BP S855 EP S855 PG 1 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AM5CY UT WOS:000339874700356 ER PT J AU Yamaguchi, T Yano, J Yachandra, VK Szilagyi, RK Kohzuma, T AF Yamaguchi, Takahide Yano, Junko Yachandra, Vittal K. Szilagyi, Robert K. Kohzuma, Takamitsu TI Geometry and electronic structures of axial/rhombic site in pseudoazurin Met16 variants: XAS and DFT investigations SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Meeting Abstract CT 12th European Biological Inorganic Chemistry Conference (EuroBIC) CY AUG 24-28, 2014 CL Zurich, SWITZERLAND SP Univ Zurich C1 [Yamaguchi, Takahide; Kohzuma, Takamitsu] Ibaraki Univ, Inst Appl Beam Sci, Mito, Ibaraki 3108512, Japan. [Yano, Junko; Yachandra, Vittal K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Szilagyi, Robert K.] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA. [Szilagyi, Robert K.] Univ Pannonia, Dept Analyt Chem, Veszprem, Hungary. NR 5 TC 0 Z9 0 U1 2 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD AUG PY 2014 VL 19 SU 2 MA P 187 BP S843 EP S843 PG 1 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AM5CY UT WOS:000339874700328 ER PT J AU Mernild, SH Liston, GE Hiemstra, CA AF Mernild, Sebastian H. Liston, Glen E. Hiemstra, Christopher A. TI Northern Hemisphere Glacier and Ice Cap Surface Mass Balance and Contribution to Sea Level Rise SO JOURNAL OF CLIMATE LA English DT Article ID SYNOPTICALLY FORCED HYDROCLIMATOLOGY; GENERAL-CIRCULATION MODELS; COMPLEX SNOW DISTRIBUTIONS; MAJOR ARCTIC WATERSHEDS; AMMASSALIK ISLAND; MITTIVAKKAT GLACIER; SOUTHEAST GREENLAND; AIR-TEMPERATURE; PRECIPITATION; CLIMATE AB Mass changes and mass contribution to sea level rise from glaciers and ice caps (GIC) are key components of the earth's changing sea level. GIC surface mass balance (SMB) magnitudes and individual and regional mean conditions and trends (1979-2009) were simulated for all GIC having areas greater or equal to 0.5 km(2) in the Northern Hemisphere north of 25 degrees N latitude (excluding the Greenland Ice Sheet). Recent datasets, including the Randolph Glacier Inventory (RGI; v. 2.0), the NOAA Global Land One-km Base Elevation Project (GLOBE), and the NASA Modern-Era Retrospective Analysis for Research and Applications (MERRA) products, together with recent SnowModel developments, allowed relatively high-resolution (1-km horizontal grid; 3-h time step) simulations of GIC surface air temperature, precipitation, sublimation, evaporation, surface runoff, and SMB. Simulated SMB outputs were calibrated against 1422 direct glaciological annual SMB observations of 78 GIC. The overall GIC mean annual and mean summer air temperature, runoff, and SMB loss increased during the simulation period. The cumulative GIC SMB was negative for all regions. The SMB contribution to sea level rise was largest from Alaska and smallest from the Caucasus. On average, the contribution to sea level rise was 0.51 +/- 0.16 mm sea level equivalent (SLE) yr(-1) for 1979-2009 and similar to 40% higher 0.71 +/- 0.15 mm SLE yr(-1) for the last decade, 1999-2009. C1 [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM USA. [Mernild, Sebastian H.] Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia 5110466, Chile. [Liston, Glen E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA. [Hiemstra, Christopher A.] US Army Cold Reg Res & Engn Lab, Ft Wainwright, AK USA. RP Mernild, SH (reprint author), Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia 5110466, Chile. EM smernild@gmail.com FU Earth System Modeling program within the U.S. Department of Energy's Office of Science; Scientific Discovery for Advanced Computing (SciDAC) program within the U.S. Department of Energy's Office of Science; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; European Community [262693] FX This work was supported in part by the Earth System Modeling program and by the Scientific Discovery for Advanced Computing (SciDAC) program within the U.S. Department of Energy's Office of Science, and by a Los Alamos National Laboratory (LANL) (LANL is operated under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy under Contract DE-AC52-06NA25396). Additional support was provided from the European Community's Seventh Framework Programme under Grant Agreement 262693. We thank the NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) and Global Modeling and Assimilation Office (GMAO) for providing the MERRA datasets, and NOAA for providing the Global Land One-km Base Elevation Project (GLOBE) digital elevation model. Request of data should be addressed to the first author. NR 82 TC 9 Z9 9 U1 2 U2 37 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD AUG 1 PY 2014 VL 27 IS 15 BP 6051 EP 6073 DI 10.1175/JCLI-D-13-00669.1 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AM2SY UT WOS:000339702300022 ER PT J AU Abelev, B Adam, J Adamova, D Adare, AM Aggarwal, MM Rinella, GA Agnello, M Agocs, AG Agostinelli, A Ahammed, Z Ahmad, N Masoodi, AA Ahn, SA Ahn, SU Aimo, I Ajaz, M Akindinov, A Aleksandrov, D Alessandro, B Alici, A Alkin, A Avina, EA Alme, J Alt, T Altini, V Altinpinar, S Altsybeev, I Andrei, C Andronic, A Anguelov, V Anielski, J Anson, C Anticic, T Antinori, F Antonioli, P Aphecetche, L Appelshauser, H Arbor, N Arcelli, S Arend, A Armesto, N Arnaldi, R Aronsson, T Arsene, IC Arslandok, M Asryan, A Augustinus, A Averbeck, R Awes, TC Auml;ysto, J Azmi, MD Bach, M Badala, A Baek, YW Bailhache, R Bala, R Ferroli, RB Baldisseri, A Pedrosa, FBD Ban, J Baral, RC Barbera, R Barile, F Barnafoldi, GG Barnby, LS Barret, V Bartke, J Basile, M Bastid, N Basu, S Bathen, B Batigne, G Battistin, M Batyunya, B Baudot, J Baumann, C Bavontaweepanya, R Bearden, IG Beck, H Behera, NK Belikov, I Bellini, F Bellwied, R Belmont-Moreno, E Bencedi, G Beole, S Berceanu, I Bercuci, A Berdnikov, Y Berenyi, D Berger, M Bergognon, AAE Berzano, D Betev, L Bhasin, A Bhati, AK Bhom, J Bianchi, L Bianchi, N Bielcik, J Bielcikova, J Bilandzic, A Bjelogrlic, S Blanco, F Blanco, F Blau, D Blume, C Boccioli, M Bottger, S Bogdanov, A Boggild, H Bogolyubsky, M Boldizsar, L Bombara, M Book, J Borel, H Borissov, A Bossu, F Bortolin, C Direito, JAB Botje, M Botta, E Braidot, E Braun-Munzinger, P Bregant, M Breitner, T Broker, TA Browning, TA Broz, M Brun, R Bruna, E Bruno, GE Budnikov, D Buesching, H Bufalino, S Buncic, P Busch, O Buthelezi, Z Orduna, DC Caffarri, D Cai, X Caines, H Villar, EC Camerini, P Roman, VC Romeo, GC Carena, W Carena, F Carlin, N Carminati, F Diaz, AC Castellanos, JC Hernandez, JFC Casula, EAR Catanescu, V Caudron, T Cavicchioli, C Sanchez, CC Cepila, J Cerello, P Chang, B Chankhunthot, N Chapeland, S Charvet, JL Chattopadhyay, S Chattopadhyay, S Chawla, I Cherney, M Cheshkov, C Cheynis, B Barroso, VC Chinellato, DD Chochula, P Chojnacki, M Choudhury, S Christakoglou, P Christensen, CH Christiansen, P Chujo, T Chung, SU Cicalo, C Cifarelli, L Cindolo, F Cleymans, J Coccetti, F Colamaria, F Colella, D Collu, A Balbastre, GC del Valle, ZC Connors, ME Contin, G Contreras, JG Cormier, TM Morales, YC Cortese, P Maldonado, IC Cosentino, MR Costa, F Cotallo, ME Crescio, E Crochet, P Alaniz, EC Albino, RC Cuautle, E Cunqueiro, L Dainese, A Dalsgaard, HH Danu, A Da Riva, E Das, I Das, D Das, S Das, K Dash, A Dash, S De, S de Barros, GOV De Caro, A de Cataldo, G Decosse, C de Cuveland, J De Falco, A De Gruttola, D Delagrange, H Deloff, A De Marco, N Denes, E De Pasquale, S Deppman, A Erasmo, GD de Rooij, R Corchero, MAD Di Bari, D Dietel, T Di Giglio, C Di Liberto, S Di Mauro, A Di Nezza, P Divia, R Djuvsland, O Dobrin, A Dobrowolski, T Donigus, B Dordic, O Driga, 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Lovhoiden, G. Lu, X. -G. Luettig, P. Lunardon, M. Luo, J. Luparello, G. Luzzi, C. Ma, R. Ma, K. Madagodahettige-Don, D. M. Maevskaya, A. Mager, M. Mahapatra, D. P. Maire, A. Malaev, M. Maldonado Cervantes, I. Malinina, L. Mal'Kevich, D. Malzacher, P. Mamonov, A. Manceau, L. Mangotra, L. Manko, V. Manso, F. Mansuy, C. Manzari, V. Mao, Y. Mapelli, A. Marchisone, M. Mares, J. Margagliotti, G. V. Margotti, A. Marin, A. Markert, C. Marquard, M. Marras, D. Martashvili, I. Martin, N. A. Martinengo, P. Martinez, M. I. Martinez Davalos, A. Martinez Garcia, G. Martynov, Y. Mas, A. Masciocchi, S. Masera, M. Masoni, A. Massacrier, L. Mastroserio, A. Matyja, A. Mayer, C. Mazer, J. Mazza, G. Mazzoni, M. A. Meddi, F. Menchaca-Rocha, A. Mercado Perez, J. Meres, M. Miake, Y. Milano, L. Milosevic, J. Mischke, A. Mishra, A. N. Miskowiec, D. Mitu, C. Mizuno, S. Mlynarz, J. Mohanty, B. Molnar, L. Montano Zetina, L. Monteno, M. Montes, E. Moon, T. Morando, M. Moreira De Godoy, D. A. Moretto, S. 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Ullaland, K. Ulrich, J. Uras, A. Urban, J. Urciuoli, G. M. Usai, G. L. Vajzer, M. Vala, M. Valencia Palomo, L. Vallero, S. Van Beelen, J. Vande Vyvre, P. Van Hoornen, J. van Leeuwen, M. Vannucci, L. Vargas, A. Varma, R. Vasileiou, M. Vasiliev, A. Vechernin, V. Veldhoen, M. Venaruzzo, M. Vercellin, E. Vergara, S. Vernet, R. Verweij, M. Vickovic, L. Viesti, G. Viinikainen, J. Vilakazi, Z. Villalobos Baillie, O. Vinogradov, Y. Vinogradov, A. Vinogradov, L. Virgili, T. Viyogi, Y. P. Vodopyanov, A. Voloshin, S. Voloshin, K. Volpe, G. von Haller, B. Vorobyev, I. Vranic, D. Vrlakova, J. Vulpescu, B. Vyushin, A. Wagner, B. Wagner, V. Wan, R. Wang, D. Wang, Y. Wang, Y. Wang, M. Wang, D. Watanabe, K. Weber, M. Wessels, J. P. Westerhoff, U. Wiechula, J. Wikne, J. Wilde, M. Wilk, G. Wilk, A. Williams, M. C. S. Windelband, B. Winter, M. Karampatsos, L. Xaplanteris Yaldo, C. G. Yamaguchi, Y. Yang, H. Yang, S. Yang, P. Yasnopolskiy, S. Yi, J. Yin, Z. Yoo, I. -K. Yoon, J. Yu, W. Yuan, X. Yushmanov, I. Zaccolo, V. Zach, C. Zampolli, C. Zaporozhets, S. Zarochentsev, A. Zavada, P. Zaviyalov, N. Zbroszczyk, H. Zelnicek, P. Zgura, I. S. Zhalov, M. Zhang, H. Zhang, X. Zhou, F. Zhou, Y. Zhou, D. Zhu, H. Zhu, J. Zhu, J. Zhu, X. Zichichi, A. Zimmermann, A. Zinovjev, G. Zoccarato, Y. Zynovyev, M. Zyzak, M. CA ALICE Collaboration TI Upgrade of the ALICE Experiment Letter Of Intent SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID PP COLLISIONS; TEV C1 [Malinina, L.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Milosevic, J.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Milosevic, J.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Redlich, K.] Univ Wroclaw, Inst Theoret Phys, PL-50138 Wroclaw, Poland. [Grigoryan, A.; Gulkanyan, H.; Hayrapetyan, A.; Papikyan, V.] Yerevan Phys Inst Fdn, AI Alikhanyan Natl Sci Lab, Yerevan, Armenia. [Cortes Maldonado, I.; Fernandez Tellez, A.; Martinez, M. I.; Rodriguez Cahuantzi, M.; Tejeda Munoz, G.; Vargas, A.; Vergara, S.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Alkin, A.; Grinyov, B.; Ivanytskyi, O.; Martynov, Y.; Trubnikov, V.; Zinovjev, G.; Zynovyev, M.] Bogolyubov Inst Theoret Phys, Kiev, Ukraine. [Das, S.] Bose Inst, Dept Phys, Kolkata, India. [Das, S.] CAPSS, Kolkata, India. [Pestov, Y.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Klay, J. L.] Calif Polytech State Univ San Luis Obispo, San Luis Obispo, CA 93407 USA. [Cai, X.; Li, S.; Luo, J.; Ma, K.; Mao, Y.; Sun, X.; Wan, R.; Wang, Y.; Wang, M.; Yang, P.; Yin, Z.; Yuan, X.; Zhang, H.; Zhang, X.; Zhou, F.; Zhou, D.; Zhu, H.; Zhu, J.; Zhu, X.] Cent China Normal Univ, Wuhan, Peoples R China. [Vernet, R.] Ctr Calcul, IN2P3, Villeurbanne, France. [Ceballos Sanchez, C.; Lopez Torres, E.; Shtejer, K.] Ctr Aplicac Tecnol & Desarrollo Nucl CEADEN, Havana, Cuba. [Blanco, F.; Cotallo, M. E.; Diaz Corchero, M. A.; Gonzalez-Zamora, P.; Montes, E.; Rubio Montero, A. J.; Serradilla, E.] CIEMAT, E-28040 Madrid, Spain. [Canoa Roman, V.; Contreras, J. G.; Crescio, E.; Cruz Albino, R.; Gomez, R.; Herrera Corral, G.; Montano Zetina, L.; Ramirez Reyes, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [Canoa Roman, V.; Contreras, J. G.; Crescio, E.; Cruz Albino, R.; Gomez, R.; Herrera Corral, G.; Montano Zetina, L.; Ramirez Reyes, A.] CINVESTAV, Merida, Mexico. [Alici, A.; Ferroli, R. Baldini; Cifarelli, L.; Coccetti, F.; De Caro, A.; Noferini, F.; Preghenella, R.; Santoro, R.; Zichichi, A.] Museo Stor Fis, Ctr Fermi, Rome, Italy. [Alici, A.; Ferroli, R. Baldini; Cifarelli, L.; Coccetti, F.; De Caro, A.; Noferini, F.; Preghenella, R.; Santoro, R.; Zichichi, A.] Ctr & Ric Enrico Fermi, Rome, Italy. [Garcia-Solis, E.; Harton, A.] Chicago State Univ, Chicago, IL USA. [Baldisseri, A.; Borel, H.; Castillo Castellanos, J.; Charvet, J. L.; Geuna, C.; Pereira Da Costa, H.; Rakotozafindrabe, A.; Yang, H.] CEA, IRFU, Saclay, France. [Ajaz, M.; Khan, K. H.; Saleem, A. B.] COMSATS Inst Informat Technol CIIT, Islamabad, Pakistan. [Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, Dept Fis Particulas, Santiago De Compostela, Spain. [Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, IGFAE, Santiago De Compostela, Spain. [Ahmad, N.; Masoodi, A. Ahmad; Azmi, M. D.; Irfan, M.; Khan, M. M.] Aligarh Muslim Univ, Dept Phys, Aligarh 202002, Uttar Pradesh, India. [Altinpinar, S.; Djuvsland, O.; Fehlker, D.; Haaland, O.; Huang, M.; Langoy, R.; Lien, J.; Loenne, P. I.; Nystrand, J.; Rehman, A.; Roed, K.; Rohrich, D.; Skjerdal, K.; Szostak, A.; Ullaland, K.; Wagner, B.; Yang, S.] Univ Bergen, Dept Phys & Technol, Bergen, Norway. [Anson, C.; Gangadharan, D. R.; Humanic, T. J.; Lisa, M. A.; Salzwedel, J.; Steinpreis, M.; Truesdale, D.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Han, B. H.; Hwang, D. S.; Kim, J. H.; Kim, S.; Son, H.] Sejong Univ, Dept Phys, Seoul, South Korea. [Dordic, O.; Eyyubova, G.; Kvaerno, H.; Lindal, S.; Lovhoiden, G.; Milosevic, J.; Nilsson, M. S.; Qvigstad, H.; Richter, M.; Roed, K.; Skaali, T. B.; Tveter, T. S.; Wikne, J.] Univ Oslo, Dept Phys, Oslo, Norway. [Aimo, I.; Beole, S.; Berzano, D.; Bianchi, L.; Botta, E.; Bruna, E.; Bufalino, S.; Corrales Morales, Y.; Ferretti, A.; Gagliardi, M.; Gallio, M.; Innocenti, G. M.; Marchisone, M.; Masera, M.; Mazza, G.; Milano, L.; Padilla, F.; Rivetti, A.; Russo, R.; Subieta Vasquez, M. A.; Vercellin, E.] Univ Turin, Dipartimento Fis, Turin, Italy. [Agnello, M.; Aimo, I.; Alessandro, B.; Arnaldi, R.; Bala, R.; Beole, S.; Berzano, D.; Bianchi, L.; Botta, E.; Bruna, E.; Bufalino, S.; Cerello, P.; Corrales Morales, Y.; De Marco, N.; Feliciello, A.; Ferretti, A.; Gagliardi, M.; Gallio, M.; Innocenti, G. M.; Manceau, L.; Marchisone, M.; Masera, M.; Mazza, G.; Milano, L.; Monteno, M.; Musso, A.; Oppedisano, C.; Padilla, F.; Prino, F.; Riccati, L.; Rivetti, A.; Russo, R.; Scomparin, E.; Subieta Vasquez, M. A.; Toscano, L.; Vercellin, E.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Casula, E. A. R.; Collu, A.; De Falco, A.; Incani, E.; Marras, D.; Puddu, G.; Puggioni, C.; Serci, S.; Usai, G. L.] Univ Cagliari, Dipartimento Fis, Cagliari, Italy. [Casula, E. A. R.; Cicalo, C.; Collu, A.; De Falco, A.; Incani, E.; Marras, D.; Masoni, A.; Puddu, G.; Puggioni, C.; Serci, S.; Siddhanta, S.; Usai, G. L.] Sezione Ist Nazl Fis Nucl, Cagliari, Italy. [Camerini, P.; Contin, G.; Lea, R.; Margagliotti, G. V.; Rui, R.; Venaruzzo, M.] Univ Trieste, Dipartimento Fis, Trieste, Italy. [Camerini, P.; Contin, G.; Fragiacomo, E.; Grion, N.; Lea, R.; Margagliotti, G. V.; Piano, S.; Rachevski, A.; Rui, R.; Venaruzzo, M.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Meddi, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Di Liberto, S.; Mazzoni, M. A.; Meddi, F.; Urciuoli, G. M.] Sezione Ist Nazl Fis Nucl, Rome, Italy. [Barbera, R.; Jacholkowski, A.; La Rocca, P.; Petta, C.; Riggi, F.; Santagati, G.] Univ Catania, Dipartimento Fis & Astron, Catania, Italy. [Badala, A.; Barbera, R.; Jacholkowski, A.; La Rocca, P.; Palmeri, A.; Pappalardo, G. S.; Petta, C.; Riggi, F.; Santagati, G.] Sezione Ist Nazl Fis Nucl, Catania, Italy. [Agostinelli, A.; Arcelli, S.; Basile, M.; Bellini, F.; Cifarelli, L.; Falchieri, D.; Guerzoni, B.; Scioli, G.; Zichichi, A.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy. [Caffarri, D.; Dainese, A.; Fabris, D.; Festanti, A.; Francescon, A.; Lunardon, M.; Morando, M.; Moretto, S.; Rossi, A.; Scarlassara, F.; Segato, G.; Soramel, F.; Toia, A.; Viesti, G.] Univ Padua, Dipartimento Fis & Astron, Padua, Italy. [Antinori, F.; Caffarri, D.; Dainese, A.; Fabris, D.; Festanti, A.; Francescon, A.; Rossi, A.; Toia, A.; Turrisi, R.] Sezione Ist Nazl Fis Nucl, Padua, Italy. [De Caro, A.; De Gruttola, D.; De Pasquale, S.; Girard, M. Fusco; Pagano, P.; Virgili, T.] Univ Salerno, Dipartimento Fis ER Caianiello, I-84100 Salerno, Italy. [De Caro, A.; De Gruttola, D.; De Pasquale, S.; Girard, M. Fusco; Pagano, P.; Virgili, T.] Grp Collegato INFN, Salerno, Italy. [Cortese, P.; Ramello, L.; Sitta, M.] Univ Piemonte Orientale, Dipartimento Sci & Innovaz Tecnol, Alessandria, Italy. [Cortese, P.; Ramello, L.; Sitta, M.] Grp Collegato INFN, Alessandria, Italy. [Altini, V.; Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; Erasmo, G. D.; Di Bari, D.; Di Giglio, C.; Fionda, F. M.; Fiore, E. M.; Ghidini, B.; Mastroserio, A.; Nicassio, M.; Perrino, D.; Terrevoli, C.] Dipartimento Interateneo Fis M Merlin, Bari, Italy. [Altini, V.; Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; de Cataldo, G.; Erasmo, G. D.; Di Bari, D.; Di Giglio, C.; Elia, D.; Fionda, F. M.; Fiore, E. M.; Ghidini, B.; Lenti, V.; Manzari, V.; Mastroserio, A.; Nappi, E.; Nicassio, M.; Pastore, C.; Paticchio, V.; Perrino, D.; Sgura, I.; Terrevoli, C.] Sezione Ist Nazl Fis Nucl, Bari, Italy. [Christiansen, P.; Dobrin, A.; Gros, P.; Ljunggren, H. M.; Ortiz Velasquez, A.; Oskarsson, A.; Richert, T.; Sogaard, C.; Stenlund, E.] Lund Univ, Div Expt High Energy Phys, Lund, Sweden. [Rinella, G. Aglieri; Augustinus, A.; Pedrosa, F. Baltasar Dos Santos; Battistin, M.; Betev, L.; Boccioli, M.; Bortolin, C.; Direito, J. A. Botelho; Brun, R.; Buncic, P.; Carena, W.; Carena, F.; Carminati, F.; Caudron, T.; Cavicchioli, C.; Chapeland, S.; Cheshkov, C.; Barroso, V. Chibante; Chochula, P.; Cifarelli, L.; Conesa del Valle, Z.; Costa, F.; Da Riva, E.; Decosse, C.; Di Mauro, A.; Divia, R.; Erazmus, B.; Floris, M.; Francescon, A.; Fuchs, U.; Gargiulo, C.; Gheata, M.; Gheata, A.; Giubellino, P.; Grigoras, C.; Grigoras, A.; Grosse-Oetringhaus, J. F.; Grosso, R.; Hayrapetyan, A.; Hillemanns, H.; Hristov, P.; Igolkin, S.; Ijzermans, P.; Innocenti, P. G.; Junique, A.; Kalweit, A.; Uysal, A. Karasu; Kluge, A.; Kugathasan, T.; Lechman, M.; Legrand, I.; Lesenechal, Y.; Lippmann, C.; Luzzi, C.; Mager, M.; Mansuy, C.; Mapelli, A.; Martinengo, P.; Molnar, L.; Morsch, A.; Mueller, H.; Musa, L.; Niculescu, M.; Oeschler, H.; Perini, D.; Peskov, V.; Petagna, P.; Pinazza, O.; Poghosyan, M. G.; Quercigh, E.; Rademakers, A.; Revol, J. -P.; Riedler, P.; Riegler, W.; Rossegger, S.; Rossi, A.; Safarik, K.; Santoro, R.; Schukraft, J.; Schutz, Y.; Shahoyan, R.; Simonetti, G.; Snoeys, W.; Soos, C.; Szczepankiewicz, A.; Tarazona Martinez, A.; Tauro, A.; Telesca, A.; Tobon Marin, C.; Van Beelen, J.; Vande Vyvre, P.; Van Hoornen, J.; Volpe, G.; von Haller, B.; Wessels, J. P.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Krawutschke, T.] Fachhsch Koln, Cologne, Germany. [Alme, J.; Erdal, H. A.; Helstrup, H.; Hetland, K. F.; Kileng, B.] Bergen Univ Coll, Fac Engn, Bergen, Norway. [Broz, M.; Janik, R.; Meres, M.; Pikna, M.; Sitar, B.; Strmen, P.; Szarka, I.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. 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T.; Reichelt, P.; Renfordt, R.; Schuchmann, S.; Tarantola Peloni, A.; Ulery, J.; Yu, W.; Zyzak, M.] Goethe Univ Frankfurt, Inst Kernphys, Frankfurt, Germany. [Kalweit, A.; Mager, M.; Oeschler, H.] Tech Univ Darmstadt, Inst Kernphys, Darmstadt, Germany. [Agostinelli, A.; Anielski, J.; Bathen, B.; Dietel, T.; Emschermann, D.; Feldkamp, L.; Haake, R.; Heide, M.; Klein-Boesing, C.; Passfeld, A.; Sicking, E.; Wessels, J. P.; Westerhoff, U.; Wilde, M.; Wilk, A.] Univ Munster, Inst Kernphys, D-48149 Munster, Germany. [Cuautle, E.; Jimenez Bustamante, R. T.; Ladron de Guevara, P.; Maldonado Cervantes, I.; Ortiz Velasquez, A.; Paic, G.; Peskov, V.; Simatovic, G.] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico. [Almaraz Avina, E.; Belmont-Moreno, E.; Cruz Alaniz, E.; Gonzalez-Trueba, L. H.; Leon, H.; Martinez Davalos, A.; Menchaca-Rocha, A.; Sandoval, A.; Serradilla, E.] Univ Nacl Autonoma Mexico, Inst Fis, Mexico City 01000, DF, Mexico. [Baudot, J.; Belikov, I.; Dulinski, W.; Goffe, M.; Hippolyte, B.; Hu, C.; Kuhn, C.; Molnar, L.; Roy, C.; Castro, X. Sanchez; Senyukov, S.; Winter, M.] Univ Strasbourg, CNRS, IPHC, IN2P3, Strasbourg, France. [Batyunya, B.; Grigoryan, S.; Malinina, L.; Nomokonov, P.; Pocheptsov, T.; Shabratova, G.; Vala, M.; Vodopyanov, A.; Zaporozhets, S.] Joint Inst Nucl Res, Dubna, Russia. [Ulrich, J.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Ahn, S. A.; Ahn, S. U.; Jang, H. J.; Kim, D. W.] Korea Inst Sci & Technol Informat, Taejon, South Korea. [Uysal, A. Karasu] KTO Karatay Univ, Konya, Turkey. [Baek, Y. W.; Barret, V.; Bastid, N.; Crochet, P.; Dupieux, P.; Ichou, R.; Lopez, X.; Manso, F.; Marchisone, M.; Porteboeuf-Houssais, S.; Rosnet, P.; Vulpescu, B.; Zhang, X.] Univ Blaise Pascal, Clermont Univ, LPC, CNRS,IN2P3, Clermont Ferrand, France. [Arbor, N.; Conesa Balbastre, G.; Faivre, J.; Furget, C.; Guernane, R.; Kox, S.; Real, J. 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RI Rui, Rinaldo/L-1926-2015; Martynov, Yevgen/L-3009-2015; Castillo Castellanos, Javier/G-8915-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017; Ferreiro, Elena/C-3797-2017; Armesto, Nestor/C-4341-2017; Ferretti, Alessandro/F-4856-2013; Snoeys, Walter/K-8259-2015; Fernandez Tellez, Arturo/E-9700-2017; Vickovic, Linda/F-3517-2017; Adamova, Dagmar/G-9789-2014; Christensen, Christian/D-6461-2012; De Pasquale, Salvatore/B-9165-2008; Chinellato, David/D-3092-2012; de Cuveland, Jan/H-6454-2016; Kurepin, Alexey/H-4852-2013; Jena, Deepika/P-2873-2015; Jena, Satyajit/P-2409-2015; Akindinov, Alexander/J-2674-2016; Nattrass, Christine/J-6752-2016; Suaide, Alexandre/L-6239-2016; Deppman, Airton/J-5787-2014; Pshenichnov, Igor/A-4063-2008; Guber, Fedor/I-4271-2013; Kompaniets, Mikhail/F-5025-2013; Zarochentsev, Andrey/J-6253-2013; Altsybeev, Igor/K-6687-2013; Vinogradov, Leonid/K-3047-2013; Kondratiev, Valery/J-8574-2013; Vechernin, Vladimir/J-5832-2013; Graczykowski, Lukasz/O-7522-2015; Janik, Malgorzata/O-7520-2015; feofilov, grigory/A-2549-2013; Wagner, Vladimir/G-5650-2014; Peitzmann, Thomas/K-2206-2012; Kharlov, Yuri/D-2700-2015; Mitu, Ciprian/E-6733-2011; Sevcenco, Adrian/C-1832-2012; Usai, Gianluca/E-9604-2015; Salgado, Carlos A./G-2168-2015; Barnby, Lee/G-2135-2010; Barbera, Roberto/G-5805-2012; Bruna, Elena/C-4939-2014; Karasu Uysal, Ayben/K-3981-2015; HAMAGAKI, HIDEKI/G-4899-2014; Barnafoldi, Gergely Gabor/L-3486-2013; Krizek, Filip/G-8967-2014; Yang, Hongyan/J-9826-2014; Bielcikova, Jana/G-9342-2014; Vajzer, Michal/G-8469-2014; Cosentino, Mauro/L-2418-2014; Bregant, Marco/I-7663-2012; Kovalenko, Vladimir/C-5709-2013; Bearden, Ian/M-4504-2014; Sumbera, Michal/O-7497-2014; Felea, Daniel/C-1885-2012; Takahashi, Jun/B-2946-2012 OI Gaardhoje, Jens-Jorgen/0000-0001-6122-4698; Fernandez Tellez, Arturo/0000-0001-5092-9748; Beole', Stefania/0000-0003-4673-8038; Di Bari, Domenico/0000-0002-5559-8906; Feliciello, Alessandro/0000-0001-5823-9733; van Leeuwen, Marco/0000-0002-5222-4888; Murray, Sean/0000-0003-0548-588X; Masera, Massimo/0000-0003-1880-5467; Dainese, Andrea/0000-0002-2166-1874; Paticchio, Vincenzo/0000-0002-2916-1671; Read, Kenneth/0000-0002-3358-7667; Monteno, Marco/0000-0002-3521-6333; Bhasin, Anju/0000-0002-3687-8179; SANTORO, ROMUALDO/0000-0002-4360-4600; Scarlassara, Fernando/0000-0002-4663-8216; Turrisi, Rosario/0000-0002-5272-337X; Kugathasan, Thanushan/0000-0003-4631-5019; Rui, Rinaldo/0000-0002-6993-0332; Virgili, Tiziano/0000-0003-0471-7052; Guerzoni, Barbara/0000-0003-3187-7051; Coccetti, Fabrizio/0000-0001-7041-3394; Gago Medina, Alberto Martin/0000-0002-0019-9692; Riggi, Francesco/0000-0002-0030-8377; Lemmon, Roy/0000-0002-1259-979X; Martynov, Yevgen/0000-0003-0753-2205; Castillo Castellanos, Javier/0000-0002-5187-2779; Ferreiro, Elena/0000-0002-4449-2356; Armesto, Nestor/0000-0003-0940-0783; Ferretti, Alessandro/0000-0001-9084-5784; Snoeys, Walter/0000-0003-3541-9066; Fernandez Tellez, Arturo/0000-0003-0152-4220; Vickovic, Linda/0000-0002-9820-7960; Christiansen, Peter/0000-0001-7066-3473; Scomparin, Enrico/0000-0001-9015-9610; Christensen, Christian/0000-0002-1850-0121; De Pasquale, Salvatore/0000-0001-9236-0748; Chinellato, David/0000-0002-9982-9577; de Cuveland, Jan/0000-0003-0455-1398; Kurepin, Alexey/0000-0002-1851-4136; Jena, Deepika/0000-0003-2112-0311; Jena, Satyajit/0000-0002-6220-6982; Akindinov, Alexander/0000-0002-7388-3022; Nattrass, Christine/0000-0002-8768-6468; Suaide, Alexandre/0000-0003-2847-6556; Deppman, Airton/0000-0001-9179-6363; Pshenichnov, Igor/0000-0003-1752-4524; Guber, Fedor/0000-0001-8790-3218; Kompaniets, Mikhail/0000-0001-8831-0553; Zarochentsev, Andrey/0000-0002-3502-8084; Altsybeev, Igor/0000-0002-8079-7026; Vinogradov, Leonid/0000-0001-9247-6230; Kondratiev, Valery/0000-0002-0031-0741; Vechernin, Vladimir/0000-0003-1458-8055; Janik, Malgorzata/0000-0002-3356-3438; feofilov, grigory/0000-0003-3700-8623; Peitzmann, Thomas/0000-0002-7116-899X; Sevcenco, Adrian/0000-0002-4151-1056; Usai, Gianluca/0000-0002-8659-8378; Salgado, Carlos A./0000-0003-4586-2758; Barnby, Lee/0000-0001-7357-9904; Barbera, Roberto/0000-0001-5971-6415; Bruna, Elena/0000-0001-5427-1461; Karasu Uysal, Ayben/0000-0001-6297-2532; Cosentino, Mauro/0000-0002-7880-8611; Kovalenko, Vladimir/0000-0001-6012-6615; Bearden, Ian/0000-0003-2784-3094; Sumbera, Michal/0000-0002-0639-7323; Felea, Daniel/0000-0002-3734-9439; Takahashi, Jun/0000-0002-4091-1779 FU Departement de la Haute Savoie FX The Collaboration wishes to thank the following persons for their contribution to the preparation of this LOI: M. He, R. J. Fries and R. Rapp, Cyclotron Institute and Department of Physics and Astronomy, Texas A& M University; M. Cacciari, LPTHE Paris and CNRS; L. Ropelewski, E. Oliveri and R. Veenhof, CERN (PH-DT); H. Mugnier, J. Rousset, et P. Chalmet of MIND Microtechnologies in Archamps, and the Departement de la Haute Savoie for supporting MIND to collaborate on monolithic detectors; NR 24 TC 10 Z9 10 U1 0 U2 85 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD AUG PY 2014 VL 41 IS 8 AR 087001 DI 10.1088/0954-3899/41/8/087001 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AL6HV UT WOS:000339234100001 ER PT J AU Abelev, B Adam, J Adamova, D Aggarwal, MM Rinella, GA Agnello, M Agostinelli, A Agrawal, N Ahammed, Z Ahmad, N Masoodi, AA Ahmed, I Ahn, SU Ahn, SA Aimo, I Aiola, S Ajaz, M Akindinov, A Aleksandrov, D Alessandro, B Alexandre, D Alici, A Alkin, A Alme, J Alt, T Altini, V Altinpinar, S Altsybeev, I Prado, CAG Anderssen, EC Andrei, C Andronic, A Anguelov, V Anielski, J Anticic, T Antinori, F Antonioli, P Aphecetche, L Appelshauser, H Arbor, N Arcelli, S Armesto, N Arnaldi, R Aronsson, T Arsene, IC Arslandok, M Augustinus, A Averbeck, R Awes, TC Azmi, MD Bach, M Badala, A Baek, YW Bagnasco, S Bailhache, R Bairathi, V Bala, R Baldisseri, A Pedrosa, FBD Ban, J Baral, RC Barbera, R Barile, F Barnafoldi, GG Barnby, LS Barret, V Bartke, J Basile, M Van Beelen, JB Bastid, N Basu, S Bathen, B Batigne, G Battistin, M Batyunya, B Batzing, PC Baudot, J Baumann, C Bearden, IG Beck, H Bedda, C Behera, NK Belikov, I Bellini, F Bellwied, R Belmont-Moreno, E Bencedi, G Benettoni, M Benotto, F Beole, S Berceanu, I Bercuci, A Berdnikov, Y Berenyi, D Berger, ME Bertens, RA Berzano, D Besson, A Betev, L Bhasin, A Bhati, AK Bhatti, A Bhattacharjee, B Bhom, J Bianchi, L Bianchi, N Bianchin, C Bielcik, J Bielcikova, J Bilandzic, A Bjelogrlic, S Blanco, F Blau, D Blume, C Bock, F Boehmer, FV Bogdanov, A Boggild, H Bogolyubsky, M Boldizsar, L Bombara, M Book, J Borel, H Borissov, A Bornschein, J Borshchov, VN Bortolin, C Bossu, F Botje, M Botta, E Bottger, S Braun-Munzinger, P Breitner, T Broker, TA Browning, TA Broz, M Bruna, E Bruno, GE Budnikov, D Buesching, H Bufalino, S Buncic, P Busch, O Buthelezi, Z Caffarri, D Cai, X Caines, H Caliva, A Villar, EC Camerini, P Roman, VC Carena, F Carena, W Cariola, P Carminati, F Diaz, AC Castellanos, JC Casula, EAR Catanescu, V Caudron, T Cavicchioli, C Sanchez, CC Cepila, J Cerello, P Chang, B Chapeland, S Charvet, JL Chattopadhyay, S Chattopadhyay, S Cherney, M Cheshkov, C Cheynis, B Barroso, VC Chinellato, DD Chochula, P Chojnacki, M Choudhury, S Christakoglou, P Christensen, CH Christiansen, P Chujo, T Chung, SU Cicalo, C Cifarelli, L Cindolo, F Claus, G Cleymans, J Colamaria, F Colella, D Coli, S Colledani, C Collu, A Colocci, M Balbastre, GC del Valle, ZC Connors, ME Contin, G Contreras, JG Cormier, TM Morales, YC Cortese, P Maldonado, IC Cosentino, MR Costa, F Crochet, P Albino, RC Cuautle, E Cunqueiro, L Dainese, A Dang, R Danu, A Da Riva, E Das, D Das, I Das, K Das, S Dash, A Dash, S De, S Decosse, C Delagrange, H Deloff, A Denes, E D'Erasmo, G de Barros, GOV De Caro, A de Cataldo, G de Cuveland, J De Falco, A De Gruttola, D De Marco, N De Pasquale, S De Robertis, G De Roo, K de Rooij, R Corchero, MAD Dietel, T Divia, R Di Bari, D Di Liberto, S Di Mauro, A Di Nezza, P Djuvsland, O Dobrin, A Dobrowolski, T Gimenez, DD Donigus, B Dordic, O Dorheim, S Dorokhov, A Doziere, G Dubey, AK Dubla, A Ducroux, L Dulinski, W Dupieux, P Majumdar, AKD Ehlers, RJ Elia, D Engel, H Erazmus, B Erdal, HA Eschweiler, D Espagnon, B Estienne, M Esumi, S Evans, D Evdokimov, S Eyyubova, G Fabris, D Faivre, J Falchieri, D Fantoni, A Fasel, M Fehlker, D Feldkamp, L Felea, D Feliciello, A Feofilov, G Ferencei, J Tellez, AF Ferreiro, EG Ferretti, A Festanti, A Figiel, J Figueredo, MAS Filchagin, S Finogeev, D Fionda, FM Fiore, EM Fiorenza, G Floratos, E Floris, M Foertsch, S Foka, P Fokin, S Fragiacomo, E Francescon, A Franco, M Frankenfeld, U Fuchs, U Furget, C Girard, MF Gaardhoje, JJ Gagliardi, M Gajanana, D Gallio, M Gangadharan, DR Ganoti, P Garabatos, C Garcia-Solis, E Gargiulo, C Garishvili, I Gerhard, J Germain, M Gheata, A Gheata, M Ghidini, B Ghosh, P Ghosh, SK Gianotti, P Giubilato, P Giubellino, P Gladysz-Dziadus, E Glassel, P Gomez, R Marzoa, MG Gonzalez-Zamora, P Gorbunov, S Gorlich, L Gotovac, S Graczykowski, LK Grajcarek, R 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T. Ulery, J. Ullaland, K. Uras, A. Usai, G. L. Vajzer, M. Vala, M. Palomo, L. Valencia Valentino, V. Valin, I. Vallero, S. Vande Vyvre, P. Vannucci, L. Van der Maarel, J. Van Hoorne, J. W. van Leeuwen, M. Vargas, A. Varma, R. Vasileiou, M. Vasiliev, A. Vasta, P. Vechernin, V. Veldhoen, M. Velure, A. Venaruzzo, M. Vercellin, E. Vergara Limon, S. Verlaat, B. Vernet, R. Verweij, M. Vickovic, L. Viesti, G. Viinikainen, J. Vilakazi, Z. Baillie, O. Villalobos Vinogradov, A. Vinogradov, L. Vinogradov, Y. Virgili, T. Viyogi, Y. P. Vodopyanov, A. Voelkl, M. A. Voloshin, K. Voloshin, S. A. Volpe, G. von Haller, B. Vorobyev, I. Vranic, D. Vrlakova, J. Vulpescu, B. Vyushin, A. Wagner, B. Wagner, J. Wagner, V. Wang, M. Wang, Y. Watanabe, D. Weber, M. Wessels, J. P. Westerhoff, U. Wiechula, J. Wikne, J. Wilde, M. Wilk, G. Wilkinson, J. Williams, M. C. S. Windelband, B. Winn, M. Winter, M. Xiang, C. Yaldo, C. G. Yamaguchi, Y. Yang, H. Yang, P. Yang, S. Yano, S. Yasnopolskiy, S. Yi, J. Yin, Z. Yoo, I-K. Yushmanov, I. Zaccolo, V. Zach, C. Zaman, A. Zampolli, C. Zaporozhets, S. Zarochentsev, A. Zavada, P. Zaviyalov, N. Zbroszczyk, H. Zgura, I. S. Zhalov, M. Zhang, F. Zhang, H. Zhang, X. Zhang, Y. Zhao, C. Zherebchevsky, V. I. Zhou, D. Zhou, F. Zhou, Y. Zhu, H. Zhu, J. Zhu, J. Zhu, X. Zichichi, A. Zimmermann, A. Zimmermann, M. B. Zinovjev, G. Zoccarato, Y. Zynovyev, M. Zyzak, M. CA ALICE Collaboration TI Technical Design Report for the Upgrade of the ALICE Inner Tracking System SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID ROOT-S=2.76 TEV; PP COLLISIONS; DETECTORS; RECONSTRUCTION; ELECTRONICS; SILICON; PHYSICS; MODEL; DECAY C1 [Berdnikov, Y.] St Petersburg State Polytech Univ, St Petersburg, Russia. [Ehlers, R. J., III; Khan, M. Mohisin., III] Aligarh Muslim Univ, Dept Appl Phys, Aligarh, Uttar Pradesh, India. [Malinina, L.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Milosevic, J.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Milosevic, J.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Oh, S. K.] Konkuk Univ, Seoul, South Korea. [Redlich, K.] Univ Wroclaw, Inst Theoret Phys, PL-50138 Wroclaw, Poland. [Takaki, J. D. Tapia] Univ Kansas, Lawrence, KS 66045 USA. [Grigoryan, A.; Gulkanyan, H.; Papikyan, V.] AI Alikhanyan Natl Sci Lab Yerevan Phys Inst Fdn, Yerevan, Armenia. [Cortes Maldonado, I.; Fernandez Tellez, A.; Martinez, M. I.; Rodriguez Cahuantzi, M.; Munoz, G. Tejeda; Vargas, A.; Vergara Limon, S.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Alkin, A.; Borshchov, V. N.; Grinyov, B.; Ivanytskyi, O.; Listratenko, O. M.; Martynov, Y.; Protsenko, M. A.; Trubnikov, V.; Tymchuk, I. T.; Zinovjev, G.; Zynovyev, M.] Bogolyubov Inst Theoret Phys, Kiev, Ukraine. [Das, S.; Ghosh, S. K.; Prasad, S. K.; Raha, S.] Bose Inst, Dept Phys, Kolkata, India. [Das, S.; Ghosh, S. K.; Prasad, S. K.; Raha, S.] Ctr Astroparticle Phys & Space Sci, Kolkata, India. [Pestov, Y.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Klay, J. L.] Calif Polytech State Univ San Luis Obispo, San Luis Obispo, CA 93407 USA. [Cai, X.; Dang, R.; Li, S.; Luo, J.; Sun, X.; Wang, M.; Xiang, C.; Yang, P.; Yin, Z.; Zhang, F.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhou, D.; Zhou, F.; Zhu, H.; Zhu, X.] Cent China Normal Univ, Wuhan, Peoples R China. [Vernet, R.] IN2P3, Ctr Calcul, Villeurbanne, France. [Ceballos Sanchez, C.; Torres, E. Lopez] Ctr Aplicac Tecnol & Desarrollo Nucl CEADEN, Havana, Cuba. [Blanco, F.; Corchero, M. A. Diaz; Gonzalez-Zamora, P.; Montes, E.; Rubio Montero, A. J.; Serradilla, E.] CIEMAT, Madrid, Spain. [Contreras, J. G.; Cruz Albino, R.; Gomez, R.; Montano Zetina, L.] Ctr Invest & Estudios Avanzados CINVESTAV, Mexico City, DF, Mexico. [Contreras, J. G.; Cruz Albino, R.; Gomez, R.; Montano Zetina, L.] Ctr Invest & Estudios Avanzados CINVESTAV, Merida, Mexico. [Alici, A.; Cifarelli, L.; De Caro, A.; De Gruttola, D.; Noferini, F.; Preghenella, R.; Zichichi, A.] Museo Stor Fis, Ctr Fermi, Rome, Italy. [Alici, A.; Cifarelli, L.; De Caro, A.; De Gruttola, D.; Noferini, F.; Preghenella, R.; Zichichi, A.] Ctr Studi & Ric Enrico Fermi, Rome, Italy. [Garcia-Solis, E.; Harton, A.] Chicago State Univ, Chicago, IL USA. [Baldisseri, A.; Borel, H.; Castellanos, J. Castillo; Charvet, J. L.; Da Costa, H. Pereira; Rakotozafindrabe, A.] IRFU, Commissariat Energie Atom, Saclay, France. [Ahmed, I.; Ajaz, M.; Bhatti, A.; Khan, K. H.; Bhopal, F. Muhammad; Rauf, A. W.; Suleymanov, M.; Zaman, A.] COMSATS Inst Informat Technol, Islamabad, Pakistan. [Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, Dept Fis Particulas, Santiago De Compostela, Spain. [Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, IGFAE, Santiago De Compostela, Spain. [Altinpinar, S.; Djuvsland, O.; Fehlker, D.; Haaland, O.; Huang, M.; Loenne, P. I.; Nystrand, J.; Rehman, A.; Rohrich, D.; Skjerdal, K.; Ullaland, K.; Velure, A.; Wagner, B.; Yang, S.] Univ Bergen, Dept Phys & Technol, Bergen, Norway. [Ahmad, N.; Masoodi, A. Ahmad; Azmi, M. D.; Irfan, M.; Khan, M. Mohisin., III] Aligarh Muslim Univ, Dept Phys, Aligarh 202002, Uttar Pradesh, India. [Gangadharan, D. R.; Humanic, T. J.; Lisa, M. A.; Salzwedel, J.; Steinpreis, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Hwang, D. S.; Kim, S.] Sejong Univ, Dept Phys, Seoul, South Korea. [Arsene, I. C.; Batzing, P. C.; Dordic, O.; Eyyubova, G.; Lindal, S.; Milosevic, J.; Qvigstad, H.; Richter, M.; Roed, K.; Skaali, T. B.; Tveter, T. S.; Wikne, J.; Zhao, C.] Univ Oslo, Dept Phys, Oslo, Norway. [Meddi, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Meddi, F.] Sez INFN Rome, Rome, Italy. [Casula, E. A. R.; Collu, A.; De Falco, A.; Incani, E.; Puddu, G.; Razazi, V.; Usai, G. L.] Univ Cagliari, Dipartimento Fis, Cagliari, Italy. [Casula, E. A. R.; Cicalo, C.; Collu, A.; De Falco, A.; Incani, E.; Marras, D.; Masoni, A.; Puddu, G.; Puggioni, C.; Razazi, V.; Siddhanta, S.; Usai, G. L.] Sezione Ist Nazl Fis Nucl, Cagliari, Italy. [Camerini, P.; Contin, G.; Lea, R.; Margagliotti, G. V.; Rui, R.; Sulji, M.; Venaruzzo, M.] Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. [Camerini, P.; Contin, G.; Fragiacomo, E.; Grion, N.; Lea, R.; Margagliotti, G. V.; Piano, S.; Rachevski, A.; Rui, R.; Sulji, M.; Venaruzzo, M.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Beole, S.; Berzano, D.; Bianchi, L.; Botta, E.; Morales, Y. Corrales; Ferretti, A.; Gagliardi, M.; Gallio, M.; Innocenti, G. M.; Lattuca, A.; Leoncino, M.; Marchisone, M.; Masera, M.; Russo, R.; Shtejer, K.; Vasquez, M. A. Subieta; Vallero, S.; Vercellin, E.] Univ Turin, Dipartimento Fis, Turin, Italy. [Agnello, M.; Aimo, I.; Alessandro, B.; Arnaldi, R.; Bagnasco, S.; Benotto, F.; Beole, S.; Berzano, D.; Bianchi, L.; Botta, E.; Bruna, E.; Bufalino, S.; Cerello, P.; Coli, S.; Morales, Y. Corrales; De Marco, N.; Feliciello, A.; Ferretti, A.; Gagliardi, M.; Gallio, M.; Innocenti, G. M.; Lattuca, A.; La Pointe, S. L.; Leoncino, M.; Manceau, L.; Marchisone, M.; Masera, M.; Mazza, G.; Oppedisano, C.; Panati, S.; Prino, F.; Rivetti, A.; Russo, R.; Scomparin, E.; Shtejer, K.; Vasquez, M. A. Subieta; Vallero, S.; Vercellin, E.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Agostinelli, A.; Arcelli, S.; Basile, M.; Bellini, F.; Cifarelli, L.; Colocci, M.; Falchieri, D.; Guerzoni, B.; Scioli, G.; Zichichi, A.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy. [Agostinelli, A.; Alici, A.; Antonioli, P.; Arcelli, S.; Basile, M.; Bellini, F.; Cifarelli, L.; Cindolo, F.; Colocci, M.; Falchieri, D.; Guerzoni, B.; Hatzifotiadou, D.; Margotti, A.; Nania, R.; Noferini, F.; Pesci, A.; Pinazza, O.; Preghenella, R.; Scapparone, E.; Scioli, G.; Williams, M. C. S.; Zampolli, C.; Zichichi, A.] Sezione Ist Nazl Fis Nucl, Bologna, Italy. [Barbera, R.; Jacholkowski, A.; La Rocca, P.; Petta, C.; Riggi, F.; Santagati, G.] Univ Catania, Dipartimento Fis & Astron, Catania, Italy. [Badala, A.; Barbera, R.; Jacholkowski, A.; La Rocca, P.; Palmeri, A.; Pappalardo, G. S.; Petta, C.; Riggi, F.; Santagati, G.] Sezione Ist Nazl Fis Nucl, Catania, Italy. [Caffarri, D.; Festanti, A.; Francescon, A.; Giubilato, P.; Lunardon, M.; Morando, M.; Moretto, S.; Scarlassara, F.; Segato, G.; Soramel, F.; Viesti, G.] Univ Padua, Dipartimento Fis & Astron, Padua, Italy. [Antinori, F.; Benettoni, M.; Caffarri, D.; Dainese, A.; Fabris, D.; Festanti, A.; Francescon, A.; Giubilato, P.; Lunardon, M.; Mattiazzo, S.; Morando, M.; Moretto, S.; Pantano, D.; Scarlassara, F.; Segato, G.; Soramel, F.; Toia, A.; Turrisi, R.; Viesti, G.] Sezione Ist Nazl Fis Nucl, Padua, Italy. [De Caro, A.; De Gruttola, D.; De Pasquale, S.; Girard, M. Fusco; Pagano, P.; Virgili, T.] Univ Salerno, Dipartimento Fis ER Caianiello, I-84100 Salerno, Italy. [De Caro, A.; De Gruttola, D.; De Pasquale, S.; Girard, M. Fusco; Pagano, P.; Virgili, T.] Grp Collegato INFN, Salerno, Italy. [Cortese, P.; Ramello, L.; Sitta, M.] Univ Piemonte Orientale, Dipartimento Sci & Innovaz Tecnol, Alessandria, Italy. [Cortese, P.; Ramello, L.; Sitta, M.] Grp Collegato INFN, Alessandria, Italy. [Altini, V.; Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; D'Erasmo, G.; Di Bari, D.; Fionda, F. M.; Fiore, E. M.; Ghidini, B.; Mastroserio, A.; Tangaro, M. 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G.; Reidt, F.; Revol, J-P.; Riedler, P.; Riegler, W.; Rossegger, S.; Rossi, A.; Rousset, J.; Safarik, K.; Santoro, R.; Schukraft, J.; Schutz, Y.; Shahoyan, R.; Snoeys, W.; Szczepankiewicz, A.; Martinez, A. Tarazona; Tauro, A.; Telesca, A.; Vande Vyvre, P.; Van Hoorne, J. W.; Volpe, G.; von Haller, B.; Vranic, D.; Zimmermann, M. B.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Ketzer, B.] Tech Univ Munich, Excellence Cluster Universe, D-80290 Munich, Germany. [Jadlovsky, J.] Tech Univ, Fac Elect Engn & Informat, Kosice, Slovakia. [Alme, J.; Erdal, H. A.; Helstrup, H.; Hetland, K. F.; Kileng, B.] Bergen Univ Coll, Fac Engn, Bergen, Norway. [Broz, M.; Meres, M.; Pikna, M.; Sitar, B.; Strmen, P.; Szarka, I.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. 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[Agrawal, N.; Behera, N. K.; Dash, S.; Jena, S.; Meethaleveedu, G. Koyithatta; Kumar, J.; Nandi, B. K.; Pant, D.; Varma, R.] Indian Inst Technol Bombay IIT, Mumbai, Maharashtra, India. [Mazumder, R.; Mishra, A. N.; Roy, A.; Sahoo, R.] Indian Inst Technol Indore, Indore, Madhya Pradesh, India. [Kweon, M. J.] Inha Univ, Coll Nat Sci, Inchon, South Korea. [del Valle, Z. Conesa; Das, I.; Espagnon, B.; Hadjidakis, C.; Lakomov, I.; Suire, C.; Takaki, J. D. Tapia; Palomo, L. Valencia] Univ Paris 11, CNRS, IN2P3, IPNO, F-91405 Orsay, France. [Boettger, S.; Breitner, T.; Engel, H.; Kebschull, U.; Lara, C.] Goethe Univ Frankfurt, Inst Informat, D-60054 Frankfurt, Germany. [Appelshaeuser, H.; Arslandok, M.; Bailhache, R.; Baumann, C.; Beck, H.; Blume, C.; Book, J.; Broker, T. A.; Buesching, H.; Doenigus, B.; Heckel, S. T.; Kamin, J.; Kramer, F.; Kulakov, I.; Lehnert, J.; Luettig, P.; Marquard, M.; Rascanu, B. T.; Reichelt, P.; Renfordt, R.; Sahlmuller, B.; Schuchmann, S.; Peloni, A. 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[Agnello, M.; Aimo, I.; Bedda, C.] Politecn Torino, Turin, Italy. [Browning, T. A.; Scharenberg, R. P.; Srivastava, B. K.] Purdue Univ, W Lafayette, IN 47907 USA. [Borissov, A.; Chung, S. U.; Seo, J.; Song, J.; Yi, J.; Yoo, I-K.] Pusan Natl Univ, Pusan 609735, South Korea. [Andronic, A.; Arsene, I. C.; Averbeck, R.; Braun-Munzinger, P.; Foka, P.; Frankenfeld, U.; Garabatos, C.; Ivanov, M.; Knichel, M. L.; Koehler, M. K.; Krzewicki, M.; Lenhardt, M.; Lippmann, C.; Malzacher, P.; Marin, A.; Martin, N. A.; Masciocchi, S.; Miskowiec, D.; Nicassio, M.; Onderwaater, J.; Otwinowski, J.; Park, W. J.; Schmidt, C.; Schwarz, K.; Schweda, K.; Selyuzhenkov, I.; Thaeder, J.; Vranic, D.; Wagner, J.] GSI Helmholtzzentrum Schwerionenforsch, Div Res, Darmstadt, Germany. [Andronic, A.; Arsene, I. C.; Averbeck, R.; Braun-Munzinger, P.; Foka, P.; Frankenfeld, U.; Garabatos, C.; Ivanov, M.; Knichel, M. L.; Koehler, M. K.; Krzewicki, M.; Lenhardt, M.; Lippmann, C.; Malzacher, P.; Marin, A.; Martin, N. 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[Barnafoeldi, G. G.; Bencedi, G.; Berenyi, D.; Boldizsar, L.; Denes, E.; Hamar, G.; Kiss, G.; Levai, P.; Olah, L.; Pochybova, S.] Hungarian Acad Sci, Wigner Res Ctr Phys, Budapest, Hungary. [Aiola, S.; Aronsson, T.; Caines, H.; Connors, M. E.; Ehlers, R. J., III; Harris, J. W.; Hicks, B.; Ma, R.; Oh, S.; Reed, R. J.; Schuster, T.; Smirnov, N.] Yale Univ, New Haven, CT USA. [Kang, J. H.; Kim, B.; Kim, D.; Kim, M.; Kim, T.; Kwon, Y.; Song, M.] Yonsei Univ, Seoul 120749, South Korea. [Keidel, R.] Fachhsch Worms, ZTT, Worms, Germany. RP Abelev, B (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Takahashi, Jun/B-2946-2012; Barnafoldi, Gergely Gabor/L-3486-2013; Yang, Hongyan/J-9826-2014; Kucera, Vit/G-8459-2014; Krizek, Filip/G-8967-2014; Bielcikova, Jana/G-9342-2014; Vajzer, Michal/G-8469-2014; Cosentino, Mauro/L-2418-2014; Kovalenko, Vladimir/C-5709-2013; Bearden, Ian/M-4504-2014; Sumbera, Michal/O-7497-2014; Felea, Daniel/C-1885-2012; Wagner, Vladimir/G-5650-2014; Peitzmann, Thomas/K-2206-2012; Kharlov, Yuri/D-2700-2015; Mitu, Ciprian/E-6733-2011; Sevcenco, Adrian/C-1832-2012; Ahmed, Ijaz/E-9144-2015; Usai, Gianluca/E-9604-2015; Salgado, Carlos A./G-2168-2015; Barbera, Roberto/G-5805-2012; Bruna, Elena/C-4939-2014; Karasu Uysal, Ayben/K-3981-2015; HAMAGAKI, HIDEKI/G-4899-2014; Pshenichnov, Igor/A-4063-2008; Guber, Fedor/I-4271-2013; Zarochentsev, Andrey/J-6253-2013; Altsybeev, Igor/K-6687-2013; Vinogradov, Leonid/K-3047-2013; Kondratiev, Valery/J-8574-2013; Vechernin, Vladimir/J-5832-2013; Maltsev, Nikolay/G-1670-2015; Graczykowski, Lukasz/O-7522-2015; Janik, Malgorzata/O-7520-2015; feofilov, grigory/A-2549-2013; Adamova, Dagmar/G-9789-2014; Christensen, Christian/D-6461-2012; De Pasquale, Salvatore/B-9165-2008; Chinellato, David/D-3092-2012; de Cuveland, Jan/H-6454-2016; Kurepin, Alexey/H-4852-2013; Jena, Satyajit/P-2409-2015; Akindinov, Alexander/J-2674-2016; Nattrass, Christine/J-6752-2016; Suaide, Alexandre/L-6239-2016; Zherebchevsky, Vladimir/F-5515-2014; Martynov, Yevgen/L-3009-2015; Castillo Castellanos, Javier/G-8915-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017; Ferreiro, Elena/C-3797-2017; Armesto, Nestor/C-4341-2017; Snoeys, Walter/K-8259-2015; Martinez Hernandez, Mario Ivan/F-4083-2010; Fernandez Tellez, Arturo/E-9700-2017; Vickovic, Linda/F-3517-2017; OI Fernandez Tellez, Arturo/0000-0001-5092-9748; Suljic, Miljenko/0000-0002-4490-1930; Lemmon, Roy/0000-0002-1259-979X; Protsenko, Maksym/0000-0001-9313-1701; van Leeuwen, Marco/0000-0002-5222-4888; Murray, Sean/0000-0003-0548-588X; Masera, Massimo/0000-0003-1880-5467; Gaardhoje, Jens-Jorgen/0000-0001-6122-4698; Takahashi, Jun/0000-0002-4091-1779; Cosentino, Mauro/0000-0002-7880-8611; Kovalenko, Vladimir/0000-0001-6012-6615; Bearden, Ian/0000-0003-2784-3094; Sumbera, Michal/0000-0002-0639-7323; Felea, Daniel/0000-0002-3734-9439; Peitzmann, Thomas/0000-0002-7116-899X; Sevcenco, Adrian/0000-0002-4151-1056; Usai, Gianluca/0000-0002-8659-8378; Salgado, Carlos A./0000-0003-4586-2758; Barbera, Roberto/0000-0001-5971-6415; Bruna, Elena/0000-0001-5427-1461; Karasu Uysal, Ayben/0000-0001-6297-2532; Pshenichnov, Igor/0000-0003-1752-4524; Guber, Fedor/0000-0001-8790-3218; Zarochentsev, Andrey/0000-0002-3502-8084; Altsybeev, Igor/0000-0002-8079-7026; Vinogradov, Leonid/0000-0001-9247-6230; Kondratiev, Valery/0000-0002-0031-0741; Vechernin, Vladimir/0000-0003-1458-8055; Maltsev, Nikolay/0000-0002-7445-6268; Janik, Malgorzata/0000-0002-3356-3438; feofilov, grigory/0000-0003-3700-8623; Christensen, Christian/0000-0002-1850-0121; De Pasquale, Salvatore/0000-0001-9236-0748; Chinellato, David/0000-0002-9982-9577; de Cuveland, Jan/0000-0003-0455-1398; Kurepin, Alexey/0000-0002-1851-4136; Jena, Satyajit/0000-0002-6220-6982; Akindinov, Alexander/0000-0002-7388-3022; Nattrass, Christine/0000-0002-8768-6468; Suaide, Alexandre/0000-0003-2847-6556; Zherebchevsky, Vladimir/0000-0002-6021-5113; Martynov, Yevgen/0000-0003-0753-2205; Castillo Castellanos, Javier/0000-0002-5187-2779; Ferreiro, Elena/0000-0002-4449-2356; Armesto, Nestor/0000-0003-0940-0783; Snoeys, Walter/0000-0003-3541-9066; Martinez Hernandez, Mario Ivan/0000-0002-8503-3009; Fernandez Tellez, Arturo/0000-0003-0152-4220; Vickovic, Linda/0000-0002-9820-7960; Feliciello, Alessandro/0000-0001-5823-9733 FU Science and Technology Facilities Council [ST/J000108/1, ST/J000140/1] NR 89 TC 21 Z9 21 U1 3 U2 82 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD AUG PY 2014 VL 41 IS 8 AR 087002 DI 10.1088/0954-3899/41/8/087002 PG 191 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AL6HV UT WOS:000339234100002 ER PT J AU Li, B Louca, D Hu, B Niedziela, JL Zhou, JS Goodenough, JB AF Li, Bing Louca, Despina Hu, Biao Niedziela, Jennifer L. Zhou, Jianshi Goodenough, John B. TI Dynamic Distortions in the YTiO3 Ferromagnet SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article ID INELASTIC NEUTRON-SCATTERING; TRANSITION-METAL OXIDES; LATTICE-DISTORTIONS; ORBITAL PHYSICS; LAMNO3; PEROVSKITES; ELECTRON; SYSTEMS; YVO3 AB The orbitally ordered YTiO3 ferromagnet is revisited to investigate the influence of local lattice dynamics on the magnetic transition. By probing the local lattice dynamics using inelastic neutron scattering and the dynamic pair density function (DPDF) analysis, we find that strong, local anharmonic fluctuations persist up to 60 meV. The spread in energy is expected of fluctuations that are well-defined in real-space. The anharmonicity is manifested in the form of a double-well potential, where the spectral weight of the DPDF peak involving Y-O correlations shifts away from the central peak to two new peaks as a function of energy. This transition occurs around 40meV. The weight distribution between the two peaks is temperature dependent that corresponds to a change in the nature of the local modes. The anharmonicity in the Y-O local modes most likely affects the Ti orbital overlap leading to a temperature dependent spin disorder. C1 [Li, Bing; Louca, Despina] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Hu, Biao; Zhou, Jianshi; Goodenough, John B.] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. [Niedziela, Jennifer L.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA. RP Li, B (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. EM louca@virginia.edu RI BL18, ARCS/A-3000-2012; Li, Bing /A-4610-2010 FU National Science Foundation [DMR1122603]; Department of Energy [DE-FG02-01ER45927] FX This work has been supported by the National Science Foundation, Grant number DMR1122603 and the Department of Energy, Grant number DE-FG02-01ER45927. The authors would like to thank S. Yano, M. Stone, and A. Llobet for their help during the neutron scattering experiments. NR 43 TC 3 Z9 3 U1 4 U2 39 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD AUG PY 2014 VL 83 IS 8 AR 084601 DI 10.7566/JPSJ.83.084601 PG 6 WC Physics, Multidisciplinary SC Physics GA AM4ES UT WOS:000339806400016 ER PT J AU Xu, WD Zhang, ZW Yang, YF Hu, ZB Wang, CH Morgan, M Wu, Y Hutten, R Xiao, XH Stock, S Guise, T Prabhakar, BS Brendler, C Seth, P AF Xu, Weidong Zhang, Zhenwei Yang, Yuefeng Hu, Zebin Wang, Chi-Hsiung Morgan, Melanie Wu, Ying Hutten, Ryan Xiao, Xianghui Stock, Stuart Guise, Theresa Prabhakar, Bellur S. Brendler, Charles Seth, Prem TI Ad5/48 Hexon Oncolytic Virus Expressing sTGF beta RIIFc Produces Reduced Hepatic and Systemic Toxicities and Inhibits Prostate Cancer Bone Metastases SO MOLECULAR THERAPY LA English DT Article ID ANDROGEN DEPRIVATION THERAPY; ADENOVIRAL VECTOR; BREAST-CANCER; TGF-BETA; IN-VIVO; REPLICATION-COMPETENT; NATURAL ANTIBODIES; ENDOTHELIAL-CELLS; GENE-EXPRESSION; LIVER TOXICITY AB We are interested in developing oncolytic adenoviruses for the treatment of prostate cancer (PCa) bone metastases. A key limitation of Adenovirus 5 (Ad5) is that upon systemic administration, it produces major liver and systemic toxicities. To address this issue, a chimaeric Ad5/48 adenovirus mHAd.sT beta RFc was created. Seven hypervariable regions of Ad5 hexon present in Ad5-based Ad.sT beta RFc expressing soluble transforming growth factor beta receptorll-Fc fusion protein (sTG beta RIIFc), were replaced by those of Ad48. mHAd.sT beta RFc, like Ad.sT beta RFc, was replication competent in the human PCa cells, and produced high levels of sTG beta RIIFc expression. Compared to Ad.sT beta RFc, the systemic delivery of mHAd.sT beta RFc in nude mice resulted in much reduced systemic toxicity, and reduced liver sequestration. Ad.sT beta RFc produced significant liver necrosis, and increases in alanine transaminase, aspartate transaminase, lactate dehydrogenase, tumor necrosis factor-alpha, and interleukin-6 levels, while mHAd.sT beta RFc produced much reduced responses of these markers. Intravenous delivery of Ad.sT beta RFc or mHAd.sT beta RFc (5 x 10(10) viral particles/mouse) in nude mice bearing PC-3-luc PCa bone metastases produced inhibition of bone metastases. Moreover, a larger dose of the mHAd.sT beta RFc (4 x 10(11) viral particles/mouse) was also effective in inhibiting bone metastases. Thus, mHAd.sT beta RFc could be developed for the treatment of PCa bone metastases. C1 [Xu, Weidong; Zhang, Zhenwei; Yang, Yuefeng; Hu, Zebin; Seth, Prem] NorthShore Res Inst, Dept Med, Gene Therapy Program, Evanston, IL USA. [Wang, Chi-Hsiung; Brendler, Charles] NorthShore Res Inst, Dept Surg, Gene Therapy Program, Evanston, IL USA. [Morgan, Melanie] NorthShore Res Inst, Dept Pathol, Gene Therapy Program, Evanston, IL USA. [Wu, Ying; Hutten, Ryan] NorthShore Res Inst, Dept Radiol, Image Proc Lab, Ctr Adv Imaging, Evanston, IL USA. [Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Stock, Stuart] Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Chicago, IL 60611 USA. [Guise, Theresa] Indiana Univ, Dept Med, Indianapolis, IN USA. [Prabhakar, Bellur S.] Univ Illinois, Dept Microbiol & Immunol, Chicago, IL 60680 USA. RP Seth, P (reprint author), Univ Chicago, Evanston Hosp, NorthShore Res Inst, Gene Therapy Program,Dept Med, 2650 Ridge Ave,Room B 652, Evanston, IL 60201 USA. EM pseth@northshore.org RI Wu, Ying/B-7283-2009 FU National Institutes of Health [R01CA12738]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The work was funded in part by the National Institutes of Health grant # R01CA12738 (P.S.), and philanthropic support through John and Carol Walter Center for Urological Health, NorthShore University HealthSystem. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We are thankful to the Kovler Family Foundation, and Richard Hulina, Jimmie Alford and Maree Bullock, and an anonymous donor for their generous philanthropic support. We are thankful to Janardan Khandekar, Theodore Mazzone, Bruce Brockstein and Michael Caplan for their continuous support. This work is dedicated to the fond memory of Jimmie Alford. NR 49 TC 6 Z9 6 U1 1 U2 7 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1525-0016 EI 1525-0024 J9 MOL THER JI Mol. Ther. PD AUG PY 2014 VL 22 IS 8 BP 1504 EP 1517 DI 10.1038/mt.2014.80 PG 14 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine, Research & Experimental SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research & Experimental Medicine GA AM3VD UT WOS:000339780000015 PM 24791939 ER PT J AU de Souza, RS Ishida, EEO Whalen, DJ Johnson, JL Ferrara, A AF de Souza, R. S. Ishida, E. E. O. Whalen, D. J. Johnson, J. L. Ferrara, A. TI Probing the stellar initial mass function with high-z supernovae SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE supernovae: general; dark ages, reionization, first stars; infrared: general ID PAIR-INSTABILITY SUPERNOVAE; POPULATION-III STARS; GAMMA-RAY BURSTS; METAL-POOR STARS; WEBB-SPACE-TELESCOPE; 1ST STARS; HIGH-REDSHIFT; PHOTOMETRIC CLASSIFICATION; SUPERLUMINOUS SUPERNOVAE; PRIMORDIAL STARS AB The first supernovae (SNe) will soon be visible at the edge of the observable universe, revealing the birthplaces of Population III stars. With upcoming near-infrared missions, a broad analysis of the detectability of high-z SNe is paramount. We combine cosmological and radiation transport simulations, instrument specifications and survey strategies to create synthetic observations of primeval core-collapse (CC), Type IIn and pair-instability (PI) SNe with the James Webb Space Telescope (JWST). We show that a dedicated observational campaign with the JWST can detect up to similar to 15 PI explosions, similar to 300 CC SNe, but less than one Type IIn explosion per year, depending on the Population III star formation history. Our synthetic survey also shows that a parts per thousand 1-2 x 10(2) SNe detections, depending on the accuracy of the classification, are sufficient to discriminate between a Salpeter and flat mass distribution for high-redshift stars with a confidence level greater than 99.5 per cent. We discuss how the purity of the sample affects our results and how supervised learning methods may help to discriminate between CC and PI SNe. C1 [de Souza, R. S.] Korea Astron & Space Sci Inst, Taejon 305348, South Korea. [de Souza, R. S.] MTA Eotvos Univ, EIRSA Lendulet Astrophys Res Grp, H-1117 Budapest, Hungary. [Ishida, E. E. O.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Ishida, E. E. O.] Univ Sao Paulo, IAG, BR-05508900 Sao Paulo, Brazil. [Whalen, D. J.; Johnson, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Whalen, D. J.] Heidelberg Univ, Zentrum Astron, Inst Theoret Astrophys, D-69120 Heidelberg, Germany. [Ferrara, A.] Scuola Normale Super Pisa, I-56126 Pisa, Italy. RP de Souza, RS (reprint author), Korea Astron & Space Sci Inst, Taejon 305348, South Korea. EM rafael.2706@gmail.com RI de Souza, Rafael/C-8615-2013 OI Ishida, Emille/0000-0002-0406-076X; de Souza, Rafael/0000-0001-7207-4584 FU Baden-Wurttemberg-Stiftung [P-LS-SPII/18]; FAPESP [2011/09525-3]; CAPES [9229-13-2]; National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX DJW acknowledges support from the Baden-Wurttemberg-Stiftung by contract research via the programme Internationale Spitzenforschung II (grant P-LS-SPII/18). EEOI thanks the Brazilian agencies FAPESP (2011/09525-3) and CAPES (9229-13-2) for financial support. Work at LANL was done under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. We thank Joseph Smidt for providing part of the data present in Fig. 1. RSdS thanks MPA for the hospitality during the preparation of this work. NR 133 TC 13 Z9 13 U1 0 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD AUG 1 PY 2014 VL 442 IS 2 BP 1640 EP 1655 DI 10.1093/mnras/stu984 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL8XM UT WOS:000339423100055 ER PT J AU Wang, Y Tang, LH Li, ZH Lin, YH Li, JH AF Wang, Ying Tang, Longhua Li, Zhaohui Lin, Yuehe Li, Jinghong TI In situ simultaneous monitoring of ATP and GTP using a graphene oxide nanosheet-based sensing platform in living cells SO NATURE PROTOCOLS LA English DT Article ID RESONANCE ENERGY-TRANSFER; AQUEOUS-SOLUTION; PHYSIOLOGICAL PH; LABEL-FREE; APTAMERS; SENSOR; CHEMOSENSOR; RECOGNITION; LIBRARIES; ADENOSINE AB Here we present a detailed protocol for in situ multiple fluorescence monitoring of adenosine-5'-triphosphate (ATPATPATP) and guanosine-5'-triphosphate (GTPTP) in MCF-7 breast cancer cells by using graphene oxide nanosheet (GO-nS) and DNANA/RNARNARNA aptamers. FAM-labeled ATPATPATP aptamer and Cy5-modified GTPTP aptamer are used to construct the multiple aptamer/GO-nS sensing platform through ` p-p stacking' between aptamers and GO-nS. Binding of aptamers to GO-nS guarantees the fluorescence resonance energy transfer between fluorophores and GO-nS, resulting in ` fluorescence off'. When the aptamer/GO-nS are transported inside the cells via endocytosis, the conformation of the aptamers will change on interaction with cellular ATPATPATP and GTPTP. On the basis of the fluorescence ` off/on' switching, simultaneous sensing and imaging of ATPATPATP and GTPTP in vitro and in situ have been realized through fluorescence and confocal microscopy techniques. In this protocol, we describe the synthesis of GO and GO-nS, preparation of aptamer/GO-nS platform, in vitro detection of ATPATPATP and GTPTP, and how to use this platform to realize intracellular ATPATPATP and GTPTP imaging in cultured MCF-7 cells. The preparation of GO-nS is anticipated to take 7-14 d, and assays involving microscopy imaging and MCF-7 cells culturing can be performed in 2-3 d. C1 [Wang, Ying; Tang, Longhua; Li, Jinghong] Tsinghua Univ, Dept Chem, Beijing Key Lab Microanalyt Methods & Instrumenta, Beijing 100084, Peoples R China. [Li, Zhaohui; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Li, JH (reprint author), Tsinghua Univ, Dept Chem, Beijing Key Lab Microanalyt Methods & Instrumenta, Beijing 100084, Peoples R China. EM jhli@mail.tsinghua.edu.cn RI Lin, Yuehe/D-9762-2011; Tang, Longhua/G-5412-2011; Li, Jinghong /D-4283-2012 OI Lin, Yuehe/0000-0003-3791-7587; Li, Jinghong /0000-0002-0750-7352 FU National Natural Science Foundation of China [21235004, 21327806, 21305046]; National Basic Research Program of China [2011CB935704]; Tsinghua University Initiative Scientific Research Program; laboratory-directed research and development program at Pacific Northwest National Laboratory (PNNL) FX This work was financially supported by the National Natural Science Foundation of China (no. 21235004, no. 21327806, no. 21305046), the National Basic Research Program of China (No. 2011CB935704) and the Tsinghua University Initiative Scientific Research Program. This work was also partially supported by a laboratory-directed research and development program at Pacific Northwest National Laboratory (PNNL). We are very grateful to T. J. Weber, D. Hu, C.-T. Lin and A. S. Lea (PNNL) for their help in experimental work and for helpful discussion. NR 49 TC 55 Z9 56 U1 20 U2 196 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PD AUG PY 2014 VL 9 IS 8 BP 1944 EP 1955 DI 10.1038/nprot.2014.126 PG 12 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AM7IN UT WOS:000340039700012 PM 25058642 ER PT J AU Rodriguez, S Kirby, J Denby, CM Keasling, JD AF Rodriguez, Sarah Kirby, James Denby, Charles M. Keasling, Jay D. TI Production and quantification of sesquiterpenes in Saccharomyces cerevisiae, including extraction, detection and quantification of terpene products and key related metabolites SO NATURE PROTOCOLS LA English DT Article ID SYNTHASE GENE FAMILY; FUNCTIONAL-CHARACTERIZATION; ISOPRENOID PRODUCTION; MICROBIAL-PRODUCTION; ALPHA-SANTALENE; EXPRESSION; YEAST; PRECURSOR; PATHWAY; PROTEIN AB The procedures described here are designed for engineering Saccharomyces cerevisiae to produce sesquiterpenes with an aim to either increase product titers or to simply generate a quantity of product sufficient for identification and/or downstream experimentation. Engineering high-level sesquiterpene production in S. cerevisiae often requires iterations of strain modifications and metabolite analysis. To address the latter, the methods described here were tailored for robust measurement of metabolites that we have found to be fundamental indicators of pathway flux, using only gas chromatography and mass spectrometry (GC-MS) instrumentation. Thus, by focusing on heterologous production of sesquiterpenes via the mevalonate (MEV) pathway in S. cerevisiae, we detail procedures for extraction and detection of the key pathway metabolites MEV, squalene and ergosterol, as well as the farnesyl pyrophosphate (FPP)-derived side products farnesol and nerolidol. Analysis of these compounds is important for quality control, because they are possible indicators of pathway imbalance. As many of the sesquiterpene synthase (STS) genes encountered in nature are of plant origin and often not optimal for expression in yeast, we provide guidelines for designing gene expression cassettes to enable expression in S. cerevisiae. As a case study for these protocols, we have selected the sesquiterpene amorphadiene, native to Artemisia annua and related plants. The analytical steps can be completed within 1-2 working days, and a typical experiment might take 1 week. C1 [Rodriguez, Sarah; Kirby, James; Denby, Charles M.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Rodriguez, Sarah; Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kirby, James; Denby, Charles M.; Keasling, Jay D.] Univ Calif Berkeley, California Inst Quantitat Biosci QB3, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 FU Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 64 TC 11 Z9 11 U1 5 U2 82 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PD AUG PY 2014 VL 9 IS 8 BP 1980 EP 1996 DI 10.1038/nprot.2014.132 PG 17 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AM7IN UT WOS:000340039700015 PM 25058645 ER PT J AU Iversen, CM AF Iversen, Colleen M. TI Using root form to improve our understanding of root function SO NEW PHYTOLOGIST LA English DT Editorial Material DE ecoysystem carbon and nutrient cycling; fine roots; plant traits; rhizosphere; root branching patterns; root form; root function ID LITTER DECOMPOSITION; TRAITS; TREES; PERSPECTIVE; WORLDWIDE; PATTERNS C1 [Iversen, Colleen M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Iversen, Colleen M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Iversen, CM (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, One Bethel Valley Rd,Bldg 4500N, Oak Ridge, TN 37831 USA. EM iversencm@ornl.gov NR 20 TC 11 Z9 14 U1 8 U2 62 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD AUG PY 2014 VL 203 IS 3 BP 707 EP 709 PG 3 WC Plant Sciences SC Plant Sciences GA AM0SF UT WOS:000339556300001 PM 25040729 ER PT J AU De Kauwe, MG Medlyn, BE Zaehle, S Walker, AP Dietze, MC Wang, YP Luo, YQ Jain, AK El-Masri, B Hickler, T Warlind, D Weng, ES Parton, WJ Thornton, PE Wang, SS Prentice, IC Asao, S Smith, B McCarthy, HR Iversen, CM Hanson, PJ Warren, JM Oren, R Norby, RJ AF De Kauwe, Martin G. Medlyn, Belinda E. Zaehle, Soenke Walker, Anthony P. Dietze, Michael C. Wang, Ying-Ping Luo, Yiqi Jain, Atul K. El-Masri, Bassil Hickler, Thomas Warlind, David Weng, Ensheng Parton, William J. Thornton, Peter E. Wang, Shusen Prentice, I. Colin Asao, Shinichi Smith, Benjamin McCarthy, Heather R. Iversen, Colleen M. Hanson, Paul J. Warren, Jeffrey M. Oren, Ram Norby, Richard J. TI Where does the carbon go? A model-data intercomparison of vegetation carbon allocation and turnover processes at two temperate forest free-air CO2 enrichment sites SO NEW PHYTOLOGIST LA English DT Article DE allocation; carbon (C); climate change; CO2 fertilisation; elevated CO2; free-air CO2 enrichment (FACE); models; phenology ID ELEVATED ATMOSPHERIC CO2; FINE-ROOT PRODUCTION; CLIMATE-CHANGE; DECIDUOUS FOREST; NITROGEN UPTAKE; USE EFFICIENCY; SOIL CARBON; PINE FOREST; DYNAMICS; RESPONSES AB Elevated atmospheric CO2 concentration (eCO(2)) has the potential to increase vegetation carbon storage if increased net primary production causes increased long-lived biomass. Model predictions of eCO(2) effects on vegetation carbon storage depend on how allocation and turnover processes are represented. We used data from two temperate forest free-air CO2 enrichment (FACE) experiments to evaluate representations of allocation and turnover in 11 ecosystem models. Observed eCO(2) effects on allocation were dynamic. Allocation schemes based on functional relationships among biomass fractions that vary with resource availability were best able to capture the general features of the observations. Allocation schemes based on constant fractions or resource limitations performed less well, with some models having unintended outcomes. Few models represent turnover processes mechanistically and there was wide variation in predictions of tissue lifespan. Consequently, models did not perform well at predicting eCO(2) effects on vegetation carbon storage. Our recommendations to reduce uncertainty include: use of allocation schemes constrained by biomass fractions; careful testing of allocation schemes; and synthesis of allocation and turnover data in terms of model parameters. Data from intensively studied ecosystem manipulation experiments are invaluable for constraining models and we recommend that such experiments should attempt to fully quantify carbon, water and nutrient budgets. C1 [De Kauwe, Martin G.; Medlyn, Belinda E.; Prentice, I. Colin] Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia. [Zaehle, Soenke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, D-07745 Jena, Germany. [Walker, Anthony P.; Thornton, Peter E.; Iversen, Colleen M.; Hanson, Paul J.; Warren, Jeffrey M.; Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Walker, Anthony P.; Thornton, Peter E.; Iversen, Colleen M.; Hanson, Paul J.; Warren, Jeffrey M.; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Dietze, Michael C.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA. [Wang, Ying-Ping] CSIRO Marine & Atmospher Res, Aspendale, Vic 3195, Australia. [Wang, Ying-Ping] Ctr Australian Weather & Climate Res, Aspendale, Vic 3195, Australia. [Luo, Yiqi] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Jain, Atul K.; El-Masri, Bassil] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. [Hickler, Thomas] Biodivers & Climate Res Ctr BiK F, D-60325 Frankfurt, Germany. [Hickler, Thomas] Senckenberg Gesell Nat Forsch, D-60325 Frankfurt, Germany. [Hickler, Thomas] Goethe Univ Frankfurt, Dept Phys Geog, D-60438 Frankfurt, Germany. [Warlind, David; Smith, Benjamin] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden. [Weng, Ensheng] Princeton Univ, Dept Ecol & Evolutionary Biol, Princeton, NJ 08544 USA. [Parton, William J.; Asao, Shinichi] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Wang, Shusen] Nat Resources Canada, Canada Ctr Remote Sensing, Ottawa, ON, Canada. [Prentice, I. Colin] Univ London Imperial Coll Sci Technol & Med, AXA Chair Biosphere & Climate Impacts, Dept Life Sci, London, England. [Prentice, I. Colin] Univ London Imperial Coll Sci Technol & Med, Grantham Inst Climate Change, London, England. [McCarthy, Heather R.] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Oren, Ram] Duke Univ, Div Environm Sci & Policy, Nicholas Sch Environm, Durham, NC 27708 USA. [Oren, Ram] Swedish Univ Agr Sci SLU, Dept Forest Ecol & Management, SE-90183 Umea, Sweden. RP De Kauwe, MG (reprint author), Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia. EM mdekauwe@gmail.com RI Jain, Atul/D-2851-2016; Walker, Anthony/G-2931-2016; Weng, Ensheng/E-4390-2012; Warren, Jeffrey/B-9375-2012; wang, yp/A-9765-2011; Dietze, Michael/A-5834-2009; Warlind, David/A-5109-2015; Hanson, Paul J./D-8069-2011; Norby, Richard/C-1773-2012; Thornton, Peter/B-9145-2012; Smith, Benjamin/I-1212-2016; Asao, Shinichi/R-9514-2016; Hickler, Thomas/S-6287-2016; Zaehle, Sonke/C-9528-2017 OI Jain, Atul/0000-0002-4051-3228; Medlyn, Belinda/0000-0001-5728-9827; Wang, Shusen/0000-0003-1860-899X; Walker, Anthony/0000-0003-0557-5594; Weng, Ensheng/0000-0002-1858-4847; Warren, Jeffrey/0000-0002-0680-4697; Dietze, Michael/0000-0002-2324-2518; Hanson, Paul J./0000-0001-7293-3561; Norby, Richard/0000-0002-0238-9828; Thornton, Peter/0000-0002-4759-5158; Smith, Benjamin/0000-0002-6987-5337; Asao, Shinichi/0000-0002-0334-5464; Hickler, Thomas/0000-0002-4668-7552; Zaehle, Sonke/0000-0001-5602-7956 FU National Center for Ecological Analysis and Synthesis, a Center - NSF [EF-0553768]; University of California, Santa Barbara; State of California; ARC [DP1094791]; European Community [PERG02-GA-2007-224775, 238366]; LOEWE initiative for scientific and economic excellence of the German federal state of Hesse FX This work was conducted as a part of the 'Benchmarking ecosystem response models with experimental data from long-term CO2 enrichment experiments' Working Group supported by the National Center for Ecological Analysis and Synthesis, a Center funded by NSF (Grant #EF-0553768), the University of California, Santa Barbara, and the State of California. The Oak Ridge and Duke FACE sites and additional synthesis activities were supported by the US Department of Energy Office of Science, Biological and Environmental Research Program. M. G. D. K. was supported by ARC Discovery Grant DP1094791. S.Z. was supported by the European Community's Seventh Framework Programme FP7 people programme through grants' no PERG02-GA-2007-224775 and 238366. T. H. was funded through the LOEWE initiative for scientific and economic excellence of the German federal state of Hesse. D. W. and B. S. contribute to the strategic research areas BECC, MERGE and LUCCI. NR 77 TC 49 Z9 49 U1 17 U2 150 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD AUG PY 2014 VL 203 IS 3 BP 883 EP 899 DI 10.1111/nph.12847 PG 17 WC Plant Sciences SC Plant Sciences GA AM0SF UT WOS:000339556300018 PM 24844873 ER PT J AU Ran, S Bud'ko, SL Straszheim, WE Canfield, PC AF Ran, S. Bud'ko, S. L. Straszheim, W. E. Canfield, P. C. TI Combined effects of transition metal (Ni and Rh) substitution and annealing/quenching on the physical properties of CaFe2As2 SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; GROWTH AB We performed systematic studies of the combined effects of annealing/quenching temperature (T-A/Q) and T = Ni, Rh substitution (x) on the physical properties of Ca(Fe1-xTx)(2)As-2. We constructed two-dimensional, TA/Q-x phase diagrams for the low-temperature states for both substitutions to map out the relations between ground states and compared them with that of Co substitution. Ni substitution, which brings one more extra electron per substituted atom and suppresses the c-lattice parameter at roughly the same rate as Co substitution, leads to a similar parameter range of antiferromagnetic/orthorhombic phase space in the TA/Q-x space as that found for Co substitution, but the parameter range for superconductivity has been shrunk (roughly by a factor of 2). This result is similar to what is found when Co- and Ni-substituted BaFe2As2 are compared. On the other hand, Rh substitution, which brings the same amount of extra electrons as does Co substitution, but suppresses the c-lattice parameter more rapidly, has a different phase diagram. The collapsed tetragonal phase exists much more pervasively, to the exclusion of the normal, paramagnetic, tetragonal phase. The range of antiferromagnetic/orthorhombic phase space is noticeably reduced, and the superconducting region is substantially suppressed, essentially truncated by the collapsed tetragonal phase. In addition, we found that whereas for Co substitution there was no difference between phase diagrams for samples annealed for 1 or 7 days, for Ni and Rh substitutions a second, reversible effect of annealing was revealed by 7-day anneals. C1 [Ran, S.; Bud'ko, S. L.; Straszheim, W. E.; Canfield, P. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Ran, S.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Ran, S (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. FU Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; State of Iowa through Iowa State University FX S.R. acknowledges Anton Jesche for help on the x-ray measurement. The authors acknowledge Matthew Kramer and Lin Zhou for useful discussions. Work at the Ames Laboratory was supported by the Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358. S.L.B. acknowledges partial support from the State of Iowa through Iowa State University. NR 33 TC 5 Z9 5 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2014 VL 90 IS 5 AR 054501 DI 10.1103/PhysRevB.90.054501 PG 17 WC Physics, Condensed Matter SC Physics GA AM6SH UT WOS:000339994500001 ER PT J AU Akushevich, I Ilyichev, A Shumeiko, NM AF Akushevich, Igor Ilyichev, Alexander Shumeiko, Nikolai M. TI QED radiative effects in the processes of exclusive photon electroproduction from polarized protons with the next-to-leading accuracy SO PHYSICAL REVIEW D LA English DT Article ID VIRTUAL COMPTON-SCATTERING; ELECTROMAGNETIC CORRECTIONS; NUCLEON AB Radiative effects in the electroproduction of photons in polarized ep scattering are calculated with next-to-leading-order accuracy. The contributions of loops and two-photon emission are presented in analytical form. The covariant approach of Bardin and Shumeiko is used to extract the infrared divergence. All contributions to the radiative correction are presented in the form of the correction to the leptonic tensor thus allowing for further applications in other experiments, e.g., deep inelastic scattering. The radiative corrections to the cross sections and polarization asymmetries are analyzed numerically for the kinematical conditions of the current measurement at Jefferson Lab. Specific attention is paid to analyzing kinematical conditions for the process with a large radiative effect when the momenta of two photons in the final state are collinear with the momenta of the initial and final electrons, respectively. C1 [Akushevich, Igor] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Akushevich, Igor] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Ilyichev, Alexander; Shumeiko, Nikolai M.] Byelorussian State Univ, Natl Ctr Particle & High Energy Phys, Minsk 220088, Byelarus. RP Akushevich, I (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. EM igor.akushevich@duke.edu FU DOE under Jefferson Science Associates, LLC operates Jefferson Lab [DE-AC05-06OR23177] FX The authors are grateful to Harut Avakian and Volker Burkert for interesting discussions and comments. This work was supported by DOE contract No. DE-AC05-06OR23177, under which Jefferson Science Associates, LLC operates Jefferson Lab. NR 13 TC 0 Z9 0 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD AUG 1 PY 2014 VL 90 IS 3 AR 033001 DI 10.1103/PhysRevD.90.033001 PG 25 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM6TZ UT WOS:000339999400002 ER PT J AU Kharzeev, DE Loshaj, F AF Kharzeev, Dmitri E. Loshaj, Frasher TI Partial restoration of chiral symmetry in a confining string SO PHYSICAL REVIEW D LA English DT Article ID MASSIVE SCHWINGER MODEL; QUARK CONFINEMENT; GAUGE-THEORIES; LATTICE AB We attempt to describe the interplay of confinement and chiral symmetry breaking in QCD by using the string model. We argue that in the quasi-Abelian picture of confinement based on the condensation of magnetic monopoles and the dual Meissner effect, the world sheet dynamics of the confining string can be effectively described by the 1 + 1 dimensional massless electrodynamics, which is exactly soluble. The transverse plane distribution of the chromoelectric field stretched between the quark and antiquark sources can then be attributed to the fluctuations in the position of the string. The dependence of the chiral condensate in the string on the (chromo-)electric field can be evaluated analytically, and is determined by the chiral anomaly and the theta-vacuum structure. Therefore, our picture allows us to predict the distribution of the chiral condensate in the plane transverse to the axis connecting the quark and antiquark. This prediction is compared to the lattice QCD results; a good agreement is found. C1 [Kharzeev, Dmitri E.; Loshaj, Frasher] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kharzeev, Dmitri E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kharzeev, DE (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. FU U. S. Department of Energy [DE-FG-88ER40388, DE-AC02-98CH10886] FX We thank L. Cosmai, A. Gorsky, T. Kalaydzhyan, and E. Shuryak for useful discussions. This work was supported by the U. S. Department of Energy under Contracts No. DE-FG-88ER40388 and No. DE-AC02-98CH10886. NR 33 TC 2 Z9 2 U1 2 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD AUG 1 PY 2014 VL 90 IS 3 AR 037501 DI 10.1103/PhysRevD.90.037501 PG 5 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM6TZ UT WOS:000339999400004 ER PT J AU Kim, WC Kim, JY Ko, JH Kang, H Han, KH AF Kim, Won-Chan Kim, Joo-Yeol Ko, Jae-Heung Kang, Hunseung Han, Kyung-Hwan TI Identification of direct targets of transcription factor MYB46 provides insights into the transcriptional regulation of secondary wall biosynthesis SO PLANT MOLECULAR BIOLOGY LA English DT Article DE Arabidopsis; Hemicellulose; Lignin; MYB46; Secondary wall; Transcription factor; Xylan ID ARABIDOPSIS-THALIANA; LIGNIN BIOSYNTHESIS; GLUCURONOXYLAN BIOSYNTHESIS; CELLULOSE SYNTHASES; ANTHER DEHISCENCE; WOOD FORMATION; XYLEM; LIGNIFICATION; EXPRESSION; SND1 AB Secondary wall formation requires coordinated transcriptional regulation of the genes involved in the biosynthesis of the components of secondary wall. Transcription factor (TF) MYB46 (At5g12870) has been shown to function as a central regulator for secondary wall formation in Arabidopsis thaliana, activating biosynthetic genes as well as the TFs involved in the pathways. Recently, we reported that MYB46 directly regulates secondary wall-associated cellulose synthase (CESA4, CESA7, and CESA8) and a mannan synthase (CSLA9) genes. However, it is not known whether MYB46 directly activates the biosynthetic genes for hemicellulose and lignin, which are the other two major components of secondary wall. Based on the observations that the promoter regions of many of the secondary wall biosynthetic genes contain MYB46-binding cis-regulatory motif(s), we hypothesized that MYB46 directly regulates the genes involved in the biosynthesis of the secondary wall components. In this report, we describe several lines of experimental evidence in support of the hypothesis. Electrophoretic mobility shift assay and chromatin immunoprecipitation analysis showed that MYB46 directly binds to the promoters of 13 genes involved in lignin and xylan biosynthesis. We then used steroid receptor-based inducible activation system to confirm that MYB46 directly activates the transcription of the xylan and lignin biosynthetic genes. Furthermore, ectopic up-regulation of MYB46 resulted in a significant increase in xylose and a small increase in lignin content based on acetyl bromide soluble lignin measurements in Arabidopsis. Taken together, we conclude that MYB46 function as a central and direct regulator of the genes involved in the biosynthesis of all three major secondary wall components. C1 [Kim, Won-Chan; Kim, Joo-Yeol; Han, Kyung-Hwan] Michigan State Univ, Dept Hort, E Lansing, MI 48824 USA. [Kim, Won-Chan; Kim, Joo-Yeol; Han, Kyung-Hwan] Michigan State Univ, Dept Forestry, E Lansing, MI 48824 USA. [Kim, Won-Chan; Kim, Joo-Yeol; Han, Kyung-Hwan] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Ko, Jae-Heung] Kyung Hee Univ, Dept Plant & Environm New Resources, Yongin, South Korea. [Kang, Hunseung] Chonnam Natl Univ, Dept Plant Biotechnol, Kwangju 500757, South Korea. RP Han, KH (reprint author), Michigan State Univ, Dept Hort, E Lansing, MI 48824 USA. EM hanky@msu.edu FU DOE Great Lakes Bioenergy Research Center (DOE Office of Science) [BER DR-FC02-07ER64494]; National Research Foundation of Korea (NRF) [2011-0008840]; Korea Forest Service [S111213L080110]; National Research Foundation of Korea [2011-0017357] FX This work was funded by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DR-FC02-07ER64494), in part a Grant to J-H Ko by Basic Science Research Program through the National Research Foundation of Korea (NRF) (2011-0008840) and a Grant to J-H Ko from the Korea Forest Service (S111213L080110), and a Grant to HS Kang by Mid-Career Researcher Program through the National Research Foundation of Korea (2011-0017357). NR 47 TC 18 Z9 19 U1 3 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-4412 EI 1573-5028 J9 PLANT MOL BIOL JI Plant Mol.Biol. PD AUG PY 2014 VL 85 IS 6 BP 589 EP 599 DI 10.1007/s11103-014-0205-x PG 11 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA AM5KH UT WOS:000339896300004 PM 24879533 ER PT J AU Jones, EM Balakrishnan, G Squier, TC Spiro, TG AF Jones, Eric M. Balakrishnan, Gurusamy Squier, Thomas C. Spiro, Thomas G. TI Distinguishing unfolding and functional conformational transitions of calmodulin using ultraviolet resonance Raman spectroscopy SO PROTEIN SCIENCE LA English DT Article DE calmodulin; Raman spectroscopy; conformational change; calcium binding ID CALCIUM-FREE CALMODULIN; C-TERMINAL DOMAIN; UV RAMAN; VERTEBRATE CALMODULIN; MOLECULAR RECOGNITION; SECONDARY STRUCTURE; TARGET RECOGNITION; TEMPERATURE-JUMP; PEPTIDE COMPLEX; APO-CALMODULIN AB Calmodulin (CaM) is a ubiquitous moderator protein for calcium signaling in all eukaryotic cells. This small calcium-binding protein exhibits a broad range of structural transitions, including domain opening and folding-unfolding, that allow it to recognize a wide variety of binding partners in vivo. While the static structures of CaM associated with its various binding activities are fairly well-known, it has been challenging to examine the dynamics of transition between these structures in real-time, due to a lack of suitable spectroscopic probes of CaM structure. In this article, we examine the potential of ultraviolet resonance Raman (UVRR) spectroscopy for clarifying the nature of structural transitions in CaM. We find that the UVRR spectral change (with 229 nm excitation) due to thermal unfolding of CaM is qualitatively different from that associated with opening of the C-terminal domain in response to Ca2+ binding. This spectral difference is entirely due to differences in tertiary contacts at the interdomain tyrosine residue Tyr138, toward which other spectroscopic methods are not sensitive. We conclude that UVRR is ideally suited to identifying the different types of structural transitions in CaM and other proteins with conformation-sensitive tyrosine residues, opening a path to time-resolved studies of CaM dynamics using Raman spectroscopy. C1 [Jones, Eric M.; Balakrishnan, Gurusamy; Spiro, Thomas G.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Squier, Thomas C.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. RP Spiro, TG (reprint author), POB 351700, Seattle, WA 98195 USA. EM spiro@chem.washington.edu FU National Institutes of Health [GM-25158]; Pacific Northwest National Laboratory (PNNL) [DE-AC06-76RL0 1830] FX Grant sponsor: National Institutes of Health grant (to T.G.S.); Grant number: GM-25158. Grant sponsor: Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by the Battelle Memorial Institute; Contract number: DE-AC06-76RL0 1830. NR 73 TC 0 Z9 0 U1 4 U2 30 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2014 VL 23 IS 8 BP 1094 EP 1101 DI 10.1002/pro.2495 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AM2FJ UT WOS:000339664800008 PM 24895328 ER PT J AU Rai, D Felmy, AR Moore, DA Kitamura, A Yoshikawa, H Doi, R Yoshida, Y AF Rai, Dhanpat Felmy, Andrew R. Moore, Dean A. Kitamura, Akira Yoshikawa, Hideki Doi, Reisuke Yoshida, Yasushi TI Thermodynamic model for the solubility of Ba(SeO4, SO4) precipitates SO RADIOCHIMICA ACTA LA English DT Article DE Solubility; Solid solution; Selenium; Barium; Sulfate; Solubility product ID SYSTEM AB The solubility of Ba(SeO4, SO4) precipitates was determined as a function of the BaSeO4 mole fractions, ranging from 0.0015 to 0.3830, and time with an equilibration period extending to as long as 302 days. Equilibrium/steady state conditions in this system are reached in <= 65 days. Pitzer's ion interaction model was used to calculate solid and aqueous phase activity coefficients. Thermodynamic analyses showed that the data do not satisfy Gibbs-Duhem equation, thereby demonstrating that a single-solid solution phase does not control both the selenate and sulfate concentrations. Our extensive data with log(10) [Ba] ranging from -3.6 to -5.9 mol kg(-1), log(10) [SeO4] ranging from -3.6 to -5.2 mol kg(-1), and log(10) [SO4] ranging from -4.0 to -5.3 mol kg(-1) can be explained with the formation of an ideal BaSeO4 solid solution phase that controls the selenium concentrations and a slightly disordered/less-crystalline BaSO4(s) (log(10) K degrees(sp) = -9.5instead of -10.05 for barite) that controls the sulfate concentrations. In these experiments the BaSO4 component of the solid solution phase never reaches thermodynamic equilibrium with the aqueous phase. Thermodynamic interpretations of the data show that both the ideal BaSeO4 solid solution phase and less-crystalline BaSO4(s) phase are in equilibrium with each other in the entire range of BaSeO4 mole fractions investigated in this study. C1 [Rai, Dhanpat] Rai Envirochem LLC, Yachats, OR 97498 USA. [Felmy, Andrew R.; Moore, Dean A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kitamura, Akira; Yoshikawa, Hideki; Doi, Reisuke; Yoshida, Yasushi] Japan Atom Energy Agcy, Tokai, Ibaraki, Japan. RP Rai, D (reprint author), Rai Envirochem LLC, Yachats, OR 97498 USA. EM dhan.rai@raienvirochem.com FU Japan Atomic Energy Agency (JAEA) FX The experimental data discussed in this manuscript was obtained at Pacific Northwest National Laboratory. The senior author thanks Japan Atomic Energy Agency (JAEA) for providing him with the funds to interpret the data and prepare this manuscript. NR 17 TC 0 Z9 0 U1 3 U2 13 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PD AUG PY 2014 VL 102 IS 8 BP 711 EP 721 DI 10.1515/ract-2013-2207 PG 11 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AM2EC UT WOS:000339660900005 ER PT J AU Riffle, BW Klinefelter, GR Cooper, RL Winnik, WM Swank, A Jayaraman, S Suarez, J Best, D Laws, SC AF Riffle, Brandy W. Klinefelter, Gary R. Cooper, Ralph L. Winnik, Witold M. Swank, Adam Jayaraman, Saro Suarez, Juan Best, Deborah Laws, Susan C. TI Novel molecular events associated with altered steroidogenesis induced by exposure to atrazine in the intact and castrate male rat SO REPRODUCTIVE TOXICOLOGY LA English DT Article DE Atrazine; Steroidogenesis; Hypothalamic-pituitary-adrenal (HPA) axis; Corticosterone; Proteomics ID PROGESTERONE-BINDING SITE(S); PERIPUBERTAL MALE RATS; MALE WISTAR RATS; PUBERTAL DEVELOPMENT; PESTICIDE EXPOSURE; THYROID-FUNCTION; STRESS-RESPONSE; DRINKING-WATER; ADRENAL-CORTEX; SEMEN QUALITY AB Toxicology is increasingly focused on molecular events comprising adverse outcome pathways. Atrazine activates the hypothalamic-pituitary adrenal axis, but relationships to gonadal alterations are unknown. We characterized hormone profiles and adrenal (intact and castrate) and testis (intact) proteomes in rats after 3 days of exposure. The adrenal accounted for most of the serum progesterone and all of the corticosterone increases in intact and castrated males. Serum luteinizing hormone, androstenedione, and testosterone in intact males shared a non-monotonic response suggesting transition from an acute stimulatory to a latent inhibitory response to exposure. Eight adrenal proteins were significantly altered with dose. There were unique proteomic changes between the adrenals of intact and castrated males. Six testis proteins in intact males had non-monotonic responses that significantly correlated with serum testosterone. Different dose-response curves for steroids and proteins in the adrenal and testis reveal novel adverse outcome pathways in intact and castrated male rats. Published by Elsevier Inc. C1 [Riffle, Brandy W.] Oak Ridge Inst Sci & Educ, Res Participat Program, Oak Ridge, TN 37831 USA. [Klinefelter, Gary R.; Cooper, Ralph L.; Suarez, Juan; Best, Deborah; Laws, Susan C.] US EPA, Tox Assessment Div, Natl Hlth & Environm Effects Res Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA. [Winnik, Witold M.; Swank, Adam] US EPA, Prote Res Core, NHEERL, ORD, Res Triangle Pk, NC 27711 USA. [Jayaraman, Saro] US EPA, Atlantic Ecol Div, NHEERL, ORD, Narragansett, RI 02882 USA. RP Laws, SC (reprint author), US EPA, NHEERL, Tox Assessment Div MD-B105,109 TW Alexander Dr, Res Triangle Pk, NC 27711 USA. EM laws.susan@epa.gov FU Office of Research and Development, U.S. Environmental Protection Agency, Washington, DC FX This research was funded entirely by the Office of Research and Development, U.S. Environmental Protection Agency, Washington, DC 20406. NR 49 TC 3 Z9 3 U1 4 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0890-6238 J9 REPROD TOXICOL JI Reprod. Toxicol. PD AUG PY 2014 VL 47 BP 59 EP 69 DI 10.1016/j.reprotox.2014.05.008 PG 11 WC Reproductive Biology; Toxicology SC Reproductive Biology; Toxicology GA AM2RE UT WOS:000339697700009 PM 24887032 ER PT J AU Graciani, J Mudiyanselage, K Xu, F Baber, AE Evans, J Senanayake, SD Stacchiola, DJ Liu, P Hrbek, J Sanz, JF Rodriguez, JA AF Graciani, Jesus Mudiyanselage, Kumudu Xu, Fang Baber, Ashleigh E. Evans, Jaime Senanayake, Sanjaya D. Stacchiola, Dario J. Liu, Ping Hrbek, Jan Fernandez Sanz, Javier Rodriguez, Jose A. TI Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2 SO SCIENCE LA English DT Article ID GAS SHIFT REACTION; MIXED-METAL OXIDE; NANOMETER LEVEL; IN-SITU; WATER; HYDROGENATION; SURFACES; CU; NANOPARTICLES; SPECTROSCOPY AB The transformation of CO2 into alcohols or other hydrocarbon compounds is challenging because of the difficulties associated with the chemical activation of CO2 by heterogeneous catalysts. Pure metals and bimetallic systems used for this task usually have low catalytic activity. Here we present experimental and theoretical evidence for a completely different type of site for CO2 activation: a copper-ceria interface that is highly efficient for the synthesis of methanol. The combination of metal and oxide sites in the copper-ceria interface affords complementary chemical properties that lead to special reaction pathways for the CO2 -> CH3OH conversion. C1 [Graciani, Jesus; Fernandez Sanz, Javier] Univ Seville, Dept Phys Chem, E-41012 Seville, Spain. [Mudiyanselage, Kumudu; Xu, Fang; Baber, Ashleigh E.; Senanayake, Sanjaya D.; Stacchiola, Dario J.; Liu, Ping; Hrbek, Jan; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Evans, Jaime] Cent Univ Venezuela, Fac Ciencias, Caracas 10201, Venezuela. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bnl.gov RI Stacchiola, Dario/B-1918-2009; Senanayake, Sanjaya/D-4769-2009; Mudiyanselage, Kumudu/B-2277-2013 OI Stacchiola, Dario/0000-0001-5494-3205; Xu, Fang/0000-0002-8166-0275; Senanayake, Sanjaya/0000-0003-3991-4232; Mudiyanselage, Kumudu/0000-0002-3539-632X FU U.S. Department of Energy, Chemical Sciences Division [DE-AC02-98CH10886]; Instituto de Tecnologia Venezolana para el Petroleo; Ministerio de Economia y Competitividad (Spain) [MAT2012-31526, CSD2008-0023]; European Regional Development Fund; U.S. Department of Energy [DE-AC02-05CH11231] FX The research carried out at Brookhaven National Laboratory was supported by the U.S. Department of Energy, Chemical Sciences Division (DE-AC02-98CH10886). J.E. is grateful to the Instituto de Tecnologia Venezolana para el Petroleo for support of the work carried out at the Universidad Central de Venezuela. The work performed at the University of Seville was funded by the Ministerio de Economia y Competitividad (Spain, grants MAT2012-31526 and CSD2008-0023) and European Regional Development Fund. Computational resources were provided by the Barcelona Supercomputing Center/Centro Nacional de Supercomputacion (Spain). The AP-XPS spectra were acquired at the Advanced Light Source (beamline 9.3.2), which is supported by the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 27 TC 160 Z9 161 U1 105 U2 636 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD AUG 1 PY 2014 VL 345 IS 6196 BP 546 EP 550 DI 10.1126/science.1253057 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AM2AU UT WOS:000339651300041 PM 25082699 ER PT J AU Ackermann, M Ajello, M Albert, A Baldini, L Ballet, J Barbiellini, G Bastieri, D Bellazzini, R Bissaldi, E Blandford, RD Bloom, ED Bottacini, E Brandt, TJ Bregeon, J Bruel, P Buehler, R Buson, S Caliandro, GA Cameron, RA Caragiulo, M Caraveo, PA Cavazzuti, E Charles, E Chekhtman, A Cheung, CC Chiang, J Chiaro, G Ciprini, S Claus, R Cohen-Tanugi, J Conrad, J Corbel, S D'Ammando, F de Angelis, A den Hartog, PR de Palma, F Dermer, CD Desiante, R Digel, SW Di Venere, L Silva, EDE Donato, D Drell, PS Drlica-Wagner, A Favuzzi, C Ferrara, EC Focke, WB Franckowiak, A Fuhrmann, L Fukazawa, Y Fusco, P Gargano, F Gasparrini, D Germani, S Giglietto, N Giordano, F Giroletti, M Glanzman, T Godfrey, G Grenier, IA Grove, JE Guiriec, S Hadasch, D Harding, AK Hayashida, M Hays, E Hewitt, JW Hill, AB Hou, X Jean, P Jogler, T Johannesson, G Johnson, AS Johnson, WN Kerr, M Knodlseder, J Kuss, M Larsson, S Latronico, L Lemoine-Goumard, M Longo, F Loparco, F Lott, B Lovellette, MN Lubrano, P Manfreda, A Martin, P Massaro, F Mayer, M Mazziotta, MN McEnery, JE Michelson, PF Mitthumsiri, W Mizuno, T Monzani, ME Morselli, A Moskalenko, IV Murgia, S Nemmen, R Nuss, E Ohsugi, T Omodei, N Orienti, M Orlando, E Ormes, JF Paneque, D Panetta, JH Perkins, JS Pesce-Rollins, M Piron, F Pivato, G Porter, TA Raino, S Rando, R Razzano, M Razzaque, S Reimer, A Reimer, O Reposeur, T Parkinson, PMS Schaal, M Schulz, A Sgro, C Siskind, EJ Spandre, G Spinelli, P Stawarz, L Suson, DJ Takahashi, H Tanaka, T Thayer, JG Thayer, JB Thompson, DJ Tibaldo, L Tinivella, M Torres, DF Tosti, G Troja, E Uchiyama, Y Vianello, G Winer, BL Wolff, MT Wood, DL Wood, KS Wood, M Charbonnel, S Corbet, RHD Aquino, ID Edlin, JP Mason, E Schwarz, GJ Shore, SN Starrfield, S Teyssier, F AF Ackermann, M. Ajello, M. Albert, A. Baldini, L. Ballet, J. Barbiellini, G. Bastieri, D. Bellazzini, R. Bissaldi, E. Blandford, R. D. Bloom, E. D. Bottacini, E. Brandt, T. J. Bregeon, J. Bruel, P. Buehler, R. Buson, S. Caliandro, G. A. Cameron, R. A. Caragiulo, M. Caraveo, P. A. Cavazzuti, E. Charles, E. Chekhtman, A. Cheung, C. C. Chiang, J. Chiaro, G. Ciprini, S. Claus, R. Cohen-Tanugi, J. Conrad, J. Corbel, S. D'Ammando, F. de Angelis, A. den Hartog, P. R. de Palma, F. Dermer, C. D. Desiante, R. Digel, S. W. Di Venere, L. do Couto e Silva, E. Donato, D. Drell, P. S. Drlica-Wagner, A. Favuzzi, C. Ferrara, E. C. Focke, W. B. Franckowiak, A. Fuhrmann, L. Fukazawa, Y. Fusco, P. Gargano, F. Gasparrini, D. Germani, S. Giglietto, N. Giordano, F. Giroletti, M. Glanzman, T. Godfrey, G. Grenier, I. A. Grove, J. E. Guiriec, S. Hadasch, D. Harding, A. K. Hayashida, M. Hays, E. Hewitt, J. W. Hill, A. B. Hou, X. Jean, P. Jogler, T. Johannesson, G. Johnson, A. S. Johnson, W. N. Kerr, M. Knoedlseder, J. Kuss, M. Larsson, S. Latronico, L. Lemoine-Goumard, M. Longo, F. Loparco, F. Lott, B. Lovellette, M. N. Lubrano, P. Manfreda, A. Martin, P. Massaro, F. Mayer, M. Mazziotta, M. N. McEnery, J. E. Michelson, P. F. Mitthumsiri, W. Mizuno, T. Monzani, M. E. Morselli, A. Moskalenko, I. V. Murgia, S. Nemmen, R. Nuss, E. Ohsugi, T. Omodei, N. Orienti, M. Orlando, E. Ormes, J. F. Paneque, D. Panetta, J. H. Perkins, J. S. Pesce-Rollins, M. Piron, F. Pivato, G. Porter, T. A. Raino, S. Rando, R. Razzano, M. Razzaque, S. Reimer, A. Reimer, O. Reposeur, T. Parkinson, P. M. Saz Schaal, M. Schulz, A. Sgro, C. Siskind, E. J. Spandre, G. Spinelli, P. Stawarz, L. Suson, D. J. Takahashi, H. Tanaka, T. Thayer, J. G. Thayer, J. B. Thompson, D. J. Tibaldo, L. Tinivella, M. Torres, D. F. Tosti, G. Troja, E. Uchiyama, Y. Vianello, G. Winer, B. L. Wolff, M. T. Wood, D. L. Wood, K. S. Wood, M. Charbonnel, S. Corbet, R. H. D. Aquino, I. De Gennaro Edlin, J. P. Mason, E. Schwarz, G. J. Shore, S. N. Starrfield, S. Teyssier, F. CA Fermi-LAT Collaboration TI Fermi establishes classical novae as a distinct class of gamma-ray sources SO SCIENCE LA English DT Article ID V407 CYGNI; EMISSION; ACCELERATION; SUBCLASS; OUTBURST AB A classical nova results from runaway thermonuclear explosions on the surface of a white dwarf that accretes matter from a low-mass main-sequence stellar companion. In 2012 and 2013, three novae were detected in gamma rays and stood in contrast to the first gamma-ray-detected nova V407 Cygni 2010, which belongs to a rare class of symbiotic binary systems. Despite likely differences in the compositions and masses of their white dwarf progenitors, the three classical novae are similarly characterized as soft-spectrum transient gamma-ray sources detected over 2- to 3-week durations. The gamma-ray detections point to unexpected high-energy particle acceleration processes linked to the mass ejection from thermonuclear explosions in an unanticipated class of Galactic gamma-ray sources. C1 [Ackermann, M.; Buehler, R.; Mayer, M.; Schulz, A.] Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. [Ajello, M.] Clemson Univ, Dept Phys & Astron, Kinard Lab Phys, Clemson, SC 29634 USA. [Albert, A.; Blandford, R. D.; Bloom, E. D.; Bottacini, E.; Caliandro, G. A.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; den Hartog, P. R.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Focke, W. B.; Franckowiak, A.; Glanzman, T.; Godfrey, G.; Hill, A. B.; Jogler, T.; Johnson, A. S.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Omodei, N.; Orlando, E.; Paneque, D.; Panetta, J. H.; Porter, T. A.; Reimer, A.; Reimer, O.; Thayer, J. G.; Thayer, J. B.; Tibaldo, L.; Vianello, G.; Wood, M.] Stanford Univ, WW Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, Dept Phys, Stanford, CA 94305 USA. [Albert, A.; Blandford, R. D.; Bloom, E. D.; Bottacini, E.; Caliandro, G. A.; Cameron, R. A.; Charles, E.; Chekhtman, A.; Chiang, J.; Claus, R.; den Hartog, P. R.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Focke, W. B.; Franckowiak, A.; Glanzman, T.; Godfrey, G.; Hill, A. B.; Jogler, T.; Johnson, A. S.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Omodei, N.; Orlando, E.; Paneque, D.; Panetta, J. H.; Porter, T. A.; Reimer, A.; Reimer, O.; Thayer, J. G.; Thayer, J. B.; Tibaldo, L.; Vianello, G.; Wood, M.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Baldini, L.; Bellazzini, R.; Kuss, M.; Manfreda, A.; Pesce-Rollins, M.; Razzano, M.; Sgro, C.; Spandre, G.; Tinivella, M.; Shore, S. N.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Ballet, J.; Corbel, S.; Rando, R.] Univ Paris Diderot, CNRS, CEA IRFU, Lab AIM,Serv Astrophys,CEA Saclay, F-91191 Gif Sur Yvette, France. [Barbiellini, G.; Desiante, R.; Grenier, I. A.; Longo, F.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Barbiellini, G.; Longo, F.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Bastieri, D.; Buson, S.; Rando, R.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Bastieri, D.; Buson, S.; Chiaro, G.; Pivato, G.] Univ Padua, Dipartimento Fis & Astron G Galilei, I-35131 Padua, Italy. [Bissaldi, E.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Bissaldi, E.] Univ Trieste, I-34127 Trieste, Italy. [Brandt, T. J.; Donato, D.; Ferrara, E. C.; Guiriec, S.; Harding, A. K.; Hays, E.; Hewitt, J. W.; McEnery, J. E.; Nemmen, R.; Perkins, J. S.; Thompson, D. J.; Troja, E.; Corbet, R. H. D.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Bregeon, J.; Cohen-Tanugi, J.; Nuss, E.; Piron, F.] Univ Montpellier 2, CNRS, IN2P3, Lab Univers & Particules Montpellier, Montpellier, France. [Bruel, P.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Caliandro, G. A.] CIFS, I-10133 Turin, Italy. [Caragiulo, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Gargano, F.; Giglietto, N.; Giordano, F.; Loparco, F.; Mazziotta, M. N.; Raino, S.; Spinelli, P.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Caraveo, P. A.] INAF Ist Astrofis Spaziale & Fis Cosm, I-20133 Milan, Italy. [Cavazzuti, E.; Ciprini, S.; Gasparrini, D.] ASI Sci Data Ctr, I-00133 Rome, Italy. [Chekhtman, A.] George Mason Univ, Coll Sci, Ctr Earth Observing & Space Res, Fairfax, VA 22030 USA. [Cheung, C. C.; Dermer, C. D.; Grove, J. E.; Johnson, W. N.; Lovellette, M. N.; Wolff, M. T.; Wood, K. S.] Naval Res Lab, Div Space Sci, Washington, DC 20375 USA. [Ciprini, S.; Gasparrini, D.] Osserv Astron Roma, Ist Nazl Astrofis, I-00040 Monte Porzio Catone, Roma, Italy. [Conrad, J.; Larsson, S.] Stockholm Univ, AlbaNova, Dept Phys, SE-10691 Stockholm, Sweden. [Conrad, J.; Larsson, S.] AlbaNova, Oskar Klein Ctr Cosmoparticle Phys, SE-10691 Stockholm, Sweden. [Conrad, J.] Royal Swedish Acad Sci, SE-10405 Stockholm, Sweden. [Corbel, S.] Inst Univ France, F-75005 Paris, France. [D'Ammando, F.; Giroletti, M.; Orienti, M.] INAF Ist Radioastron, I-40129 Bologna, Italy. [D'Ammando, F.] Univ Bologna, Dipartimento Astron, I-40127 Bologna, Italy. [de Angelis, A.] Univ Udine, Dipartimento Fis, I-33100 Udine, Italy. [de Angelis, A.] Ist Nazl Fis Nucl, Sez Trieste, Grp Collegato Udine, I-33100 Udine, Italy. [Desiante, R.] Univ Udine, I-33100 Udine, Italy. [Di Venere, L.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Raino, S.; Spinelli, P.] Univ Bari, Dipartimento Fis M Merlin, I-70126 Bari, Italy. [Di Venere, L.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Raino, S.; Spinelli, P.] Politecn Bari, I-70126 Bari, Italy. [Donato, D.; Hewitt, J. W.; Nemmen, R.; Corbet, R. H. D.] CRESST, Greenbelt, MD 20771 USA. [Donato, D.; McEnery, J. E.; Troja, E.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Donato, D.; McEnery, J. E.; Troja, E.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Drlica-Wagner, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Fuhrmann, L.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Fukazawa, Y.; Takahashi, H.] Hiroshima Univ, Dept Phys Sci, Hiroshima 7398526, Japan. [Germani, S.; Lubrano, P.; Tosti, G.] Ist Nazl Fis Nucl, Sez Perugia, I-06123 Perugia, Italy. [Germani, S.; Lubrano, P.; Tosti, G.] Univ Perugia, Dipartimento Fis, I-06123 Perugia, Italy. [Hadasch, D.; Reimer, A.; Reimer, O.] Univ Innsbruck, Inst Astro & Teilchenphys, A-6020 Innsbruck, Austria. [Hadasch, D.; Reimer, A.; Reimer, O.] Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria. [Hayashida, M.] Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. [Hewitt, J. W.; Nemmen, R.; Corbet, R. H. D.] Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA. [Hewitt, J. W.; Nemmen, R.; Corbet, R. H. D.] Univ Maryland Baltimore Cty, Ctr Space Sci & Technol, Baltimore, MD 21250 USA. [Hill, A. B.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Hou, X.; Lemoine-Goumard, M.; Lott, B.; Reposeur, T.] Univ Bordeaux 1, CNRS, IN2P3, Ctr Etud Nucl Bordeaux Gradignan, F-33175 Gradignan, France. [Jean, P.; Knoedlseder, J.] CNRS, IRAP, F-31028 Toulouse 4, France. [Jean, P.; Knoedlseder, J.; Martin, P.] Univ Toulouse, GAHEC, IRAP, UPS OMP, Toulouse, France. [Johannesson, G.] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland. [Kerr, M.] Australia Telescope Natl Facil, CSIRO Astron & Space Sci, Epping, NSW 1710, Australia. [Larsson, S.] Stockholm Univ, Dept Astron, SE-10691 Stockholm, Sweden. [Latronico, L.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Massaro, F.] Yale Univ, Dept Phys, Dept Astron, New Haven, CT 06520 USA. [Massaro, F.] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [Mitthumsiri, W.] Mahidol Univ, Fac Sci, Dept Phys, Bangkok 10400, Thailand. [Mizuno, T.; Ohsugi, T.] Hiroshima Univ, Hiroshima Astrophys Sci Ctr, Hiroshima 7398526, Japan. [Morselli, A.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Murgia, S.] Univ Calif Irvine, Ctr Cosmol, Dept Phys & Astron, Irvine, CA 92697 USA. [Ormes, J. F.] Univ Denver, Dept Phys & Astron, Denver, CO 80208 USA. [Paneque, D.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Razzaque, S.] Univ Johannesburg, Dept Phys, ZA-2006 Auckland Pk, South Africa. [Parkinson, P. M. Saz] Univ Calif Santa Cruz, Dept Phys, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Parkinson, P. M. Saz] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Parkinson, P. M. Saz] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Schaal, M.] Natl Acad Sci, Natl Res Council Res Associate, Washington, DC 20001 USA. [Siskind, E. J.] NYCB Real Time Comp Inc, Lattingtown, NY 11560 USA. [Stawarz, L.] Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Chuo Ku, Sagamihara, Kanagawa 2525210, Japan. [Stawarz, L.] Jagiellonian Univ, Astron Observ, PL-30244 Krakow, Poland. [Suson, D. J.] Purdue Univ Calumet, Dept Chem & Phys, Hammond, IN 46323 USA. [Tanaka, T.] Kyoto Univ, Dept Phys, Grad Sch Sci, Kyoto 606, Japan. [Torres, D. F.] Inst Ciencies Espai IEEE CSIC, Barcelona 08193, Spain. [Torres, D. F.] ICREA, Barcelona, Spain. [Winer, B. L.] Ohio State Univ, Dept Phys, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Wood, D. L.] Praxis Inc, Alexandria, VA 22303 USA. [Charbonnel, S.] Durtal Observ, F-49430 Durtal, France. [Aquino, I. De Gennaro; Shore, S. N.] Univ Pisa, Dipartimento Fis Enrico Fermi, I-56127 Pisa, Italy. [Aquino, I. De Gennaro] Hamburger Sternwarte, D-21029 Hamburg, Germany. [Edlin, J. P.] Ammon, Idaho Falls, ID 83401 USA. [Mason, E.] INAF Osservatorio Astron Trieste, I-34131 Trieste, Italy. [Schwarz, G. J.] Amer Astron Soc, Washington, DC 20009 USA. [Starrfield, S.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. RP Cheung, CC (reprint author), Naval Res Lab, Div Space Sci, Washington, DC 20375 USA. EM teddy.cheung@nrl.navy.mil; pierre.jean@irap.omp.eu; shore@df.unipi.it RI Orlando, E/R-5594-2016; Di Venere, Leonardo/C-7619-2017; Morselli, Aldo/G-6769-2011; giglietto, nicola/I-8951-2012; Nemmen, Rodrigo/O-6841-2014; Reimer, Olaf/A-3117-2013; Moskalenko, Igor/A-1301-2007; Sgro, Carmelo/K-3395-2016; Bissaldi, Elisabetta/K-7911-2016; Massaro, Francesco/L-9102-2016; Torres, Diego/O-9422-2016; Johannesson, Gudlaugur/O-8741-2015; Loparco, Francesco/O-8847-2015; Mazziotta, Mario /O-8867-2015; Gargano, Fabio/O-8934-2015 OI Di Venere, Leonardo/0000-0003-0703-824X; mason, elena/0000-0003-3877-0484; SPINELLI, Paolo/0000-0001-6688-8864; Hill, Adam/0000-0003-3470-4834; Larsson, Stefan/0000-0003-0716-107X; Morselli, Aldo/0000-0002-7704-9553; giglietto, nicola/0000-0002-9021-2888; Reimer, Olaf/0000-0001-6953-1385; Moskalenko, Igor/0000-0001-6141-458X; Bissaldi, Elisabetta/0000-0001-9935-8106; Massaro, Francesco/0000-0002-1704-9850; Torres, Diego/0000-0002-1522-9065; Johannesson, Gudlaugur/0000-0003-1458-7036; Loparco, Francesco/0000-0002-1173-5673; Mazziotta, Mario /0000-0001-9325-4672; Gargano, Fabio/0000-0002-5055-6395 FU Naval Research Laboratory by a Karles' Fellowship; NASA through DPR program [S-15633-Y]; NASA through Guest Investigator program [11-FERMI11-0030, 12-FERMI12-0026]; NASA; NSF FX The Fermi-LAT Collaboration acknowledges support for LAT development, operation, and data analysis from NASA and the Department of Energy (United States), CEA/Irfu and IN2P3/CNRS (France), Agenzia Spaziale Italiana and INFN (Italy), MEXT, KEK, and JAXA (Japan), and the K. A. Wallenberg Foundation, the Swedish Research Council, and the National Space Board (Sweden). Science analysis support in the operations phase from INAF (Italy) and CNES (France) is also gratefully acknowledged. We acknowledge with thanks the variable star observations from the American Association of Variable Star Observers International Database contributed by observers worldwide and used in this research and the dedicated observers of the Astronomical Ring for Access to Spectroscopy (ARAS) group for their tireless and selfless efforts. C.C.C. was supported at the Naval Research Laboratory by a Karles' Fellowship and by NASA through DPR S-15633-Y and Guest Investigator programs 11-FERMI11-0030 and 12-FERMI12-0026. S. S. was supported by NASA and NSF grants to Arizona State University. The Fermi-LAT data reported in this paper are available from http://fermi.gsfc.nasa.gov/ssc/data/access. NR 28 TC 35 Z9 36 U1 1 U2 32 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD AUG 1 PY 2014 VL 345 IS 6196 BP 554 EP 558 DI 10.1126/science.1253947 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AM2AU UT WOS:000339651300043 ER PT J AU Jackman, CM Arridge, CS Andre, N Bagenal, F Birn, J Freeman, MP Jia, X Kidder, A Milan, SE Radioti, A Slavin, JA Vogt, MF Volwerk, M Walsh, AP AF Jackman, C. M. Arridge, C. S. Andre, N. Bagenal, F. Birn, J. Freeman, M. P. Jia, X. Kidder, A. Milan, S. E. Radioti, A. Slavin, J. A. Vogt, M. F. Volwerk, M. Walsh, A. P. TI Large-Scale Structure and Dynamics of the Magnetotails of Mercury, Earth, Jupiter and Saturn SO SPACE SCIENCE REVIEWS LA English DT Review DE Magnetotail; Mercury; Earth; Jupiter; Saturn; Magnetosphere ID INTERPLANETARY MAGNETIC-FIELD; PLASMA SHEET BOUNDARY; THIN CURRENT SHEETS; TERRESTRIAL KILOMETRIC RADIATION; KELVIN-HELMHOLTZ VORTICES; SOLAR-WIND CONTROL; TRANSPOLAR POTENTIAL SATURATION; ENERGETIC PARTICLE MEASUREMENTS; TRAVELING COMPRESSION REGIONS; MESSENGERS 1ST FLYBY AB Spacecraft observations have established that all known planets with an internal magnetic field, as part of their interaction with the solar wind, possess well-developed magnetic tails, stretching vast distances on the nightside of the planets. In this review paper we focus on the magnetotails of Mercury, Earth, Jupiter and Saturn, four planets which possess well-developed tails and which have been visited by several spacecraft over the years. The fundamental physical processes of reconnection, convection, and charged particle acceleration are common to the magnetic tails of Mercury, Earth, Jupiter and Saturn. The great differences in solar wind conditions, planetary rotation rates, internal plasma sources, ionospheric properties, and physical dimensions from Mercury's small magnetosphere to the giant magnetospheres of Jupiter and Saturn provide an outstanding opportunity to extend our understanding of the influence of such factors on basic processes. In this review article, we study the four planetary environments of Mercury, Earth, Jupiter and Saturn, comparing their common features and contrasting their unique dynamics. C1 [Jackman, C. M.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Jackman, C. M.; Arridge, C. S.] UCL Birkbeck, Ctr Planetary Sci, London WC1E 6BT, England. [Jackman, C. M.] Univ Southampton, Dept Phys & Astron, Southampton SO17 1BJ, Hants, England. [Arridge, C. S.] Univ Coll London, Mullard Space Sci Lab, Holmbury RH5 6NT, Surrey, England. [Andre, N.] Univ Toulouse 3, Inst Rech Astrophys & Planetol, F-31062 Toulouse, France. [Andre, N.] CNRS, Inst Rech Astrophys & Planetol, Toulouse, France. [Bagenal, F.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. [Birn, J.] Space Sci Inst, Boulder, CO USA. [Birn, J.] Los Alamos Natl Lab, Los Alamos, NM USA. [Freeman, M. P.] British Antarctic Survey, Cambridge CB3 0ET, England. [Jia, X.; Slavin, J. A.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Kidder, A.] Univ Washington, Dept Earth & Space Sci, Seattle, WA 98195 USA. [Milan, S. E.; Vogt, M. F.] Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. [Radioti, A.] Univ Liege, Inst Astrophys & Geophys, Lab Phys Atmospher & Planetaire, Liege, Belgium. [Vogt, M. F.] Boston Univ, Ctr Space Phys, Boston, MA 02215 USA. [Volwerk, M.] Austrian Acad Sci, Space Res Inst, A-8010 Graz, Austria. [Walsh, A. P.] ESA, Estec, NL-2201 AZ Noordwiik ZH, Netherlands. RP Jackman, CM (reprint author), UCL, Dept Phys & Astron, Gower Pl, London WC1E 6BT, England. EM c.jackman@soton.ac.uk RI Jia, Xianzhe/C-5171-2012; Slavin, James/H-3170-2012; Arridge, Christopher/A-2894-2009; Vogt, Marissa/C-6237-2014; OI Jia, Xianzhe/0000-0002-8685-1484; Slavin, James/0000-0002-9206-724X; Arridge, Christopher/0000-0002-0431-6526; Vogt, Marissa/0000-0003-4885-8615; Walsh, Andrew/0000-0002-1682-1212; Jackman, Caitriona/0000-0003-0635-7361 FU International Space Science Institute; Leverhulme Trust; Royal Astronomical Society Fellowship (subsequently at University of Southampton); Royal Society; STFC Postdoctoral fellowship; MESSENGER project - NASA [NASW-00002, NAS5-97271]; NASA [NNX07AJ80G, NNG08EJ63I, NNH11AQ42I, NNH10A045I]; Belgian Fund for Scientific Research (FNRS); NASA Cassini Data Analysis Program [NNX12AK34G]; NASA Cassini mission [1409449]; Polar Science for Planet Earth Programme at the British Antarctic Survey; Science and Technology Facilities Council (STFC) [ST/K001000/1]; NSF [1203711]; US Department of Energy FX We acknowledge the generous support of the International Space Science Institute. All authors are members of ISSI team number 195, "Investigating the Dynamics of Planetary Magnetotails". CMJ's work at UCL was funded through a Leverhulme Trust Early Career Fellowship and a Royal Astronomical Society Fellowship (subsequently at University of Southampton). CMJ acknowledges useful discussion with Edward Smith. CSA was funded through a Royal Society University Research Fellowship and an STFC Postdoctoral fellowship. JAS is funded by the MESSENGER project which is supported by the NASA Discovery Program under contracts NASW-00002 to the Carnegie Institution of Washington and NAS5-97271 to The Johns Hopkins University Applied Physics Laboratory. AK is supported by NASA grant NNX07AJ80G to the University of Washington. AR is funded by the Belgian Fund for Scientific Research (FNRS). XJ is supported by the NASA Cassini Data Analysis Program through grant NNX12AK34G and by the NASA Cassini mission under contract 1409449 with JPL. MPF was supported by the Polar Science for Planet Earth Programme at the British Antarctic Survey. MFV's work at the University of Leicester was supported by the Science and Technology Facilities Council (STFC) Consolidated grant ST/K001000/1. JB acknowledges support through NASA grants NNG08EJ63I, NNH11AQ42I, NNH10A045I, and NSF grant 1203711. Most of JB's work was performed under the auspices of the US Department of Energy, while JB was a Staff Member at Los Alamos. CMJ would like to acknowledge the comments of two reviewers who helped to improve the manuscript. NR 428 TC 14 Z9 14 U1 1 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0038-6308 EI 1572-9672 J9 SPACE SCI REV JI Space Sci. Rev. PD AUG PY 2014 VL 182 IS 1-4 BP 85 EP 154 DI 10.1007/s11214-014-0060-8 PG 70 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AM5JT UT WOS:000339894600003 ER PT J AU Sohn, JA Brooks, JR Bauhus, J Kohler, M Kolb, TE McDowell, NG AF Sohn, Julia A. Brooks, J. Renee Bauhus, Juergen Kohler, Martin Kolb, Thomas E. McDowell, Nathan G. TI Unthinned slow-growing ponderosa pine (Pinus ponderosa) trees contain muted isotopic signals in tree rings as compared to thinned trees SO TREES-STRUCTURE AND FUNCTION LA English DT Article DE Oxygen isotopes; Thinning; Pinus ponderosa (ponderosa pine); Gas exchange; Sensitivity analysis ID WATER-USE EFFICIENCY; SPRUCE PICEA-ABIES; MIXED-CONIFER FOREST; PEARSON NATURAL AREA; STAND DENSITY; NORTHERN ARIZONA; GAS-EXCHANGE; BURNING TREATMENTS; CONCEPTUAL-MODEL; DROUGHT RESPONSE AB The muted wood isotopic signal in slow-growing trees of unthinned stands indicates lower responsiveness to changing environmental conditions compared to fast-growing trees in thinned stands. To examine the physiological processes associated with higher growth rates after thinning, we analyzed the oxygen isotopic values in wood (delta O-18(w)) of 12 ponderosa pine (Pinus ponderosa) trees from control, moderately, and heavily thinned stands and compared them with wood-based estimates of carbon isotope discrimination (a dagger C-13), basal area increment (BAI), and gas exchange. We found that (heavy) thinning led to shifts and increased inter-annual variability of both stable carbon and oxygen isotope ratios relative to the control throughout the first post-thinning decade. Results of a sensitivity analysis suggested that both an increase in stomatal conductance (g (s)) and differences in source water among treatments are equally probable causes of the delta O-18(w) shift in heavily thinned stands. We modeled inter-annual changes in delta O-18(w) of trees from all treatments using environmental and physiological data and found that the significant increase in delta O-18(w) inter-annual variance was related to greater delta O-18(w) responsiveness to changing environmental conditions for trees in thinned stands when compared to control stands. Based on model results, the more muted climatic response of wood isotopes in slow-growing control trees is likely to be the consequence of reduced carbon sink strength causing a higher degree of mixing of previously stored and fresh assimilates when compared to faster-growing trees in thinned stands. Alternatively, the muted response of delta O-18(w) to climatic variation of trees in the control stand may result from little variation in the control stand in physiological processes (photosynthesis, transpiration) that are known to affect delta O-18(w). C1 [Sohn, Julia A.; Bauhus, Juergen; Kohler, Martin] Univ Freiburg, Fac Environm & Nat Resources, Chair Silviculture, D-79085 Freiburg, Germany. [Brooks, J. Renee] US EPA, Natl Hlth & Environm Effects Res Lab, Western Ecol Div, Corvallis, OR 97333 USA. [Kolb, Thomas E.] No Arizona Univ, Sch Forestry, Flagstaff, AZ 86011 USA. [McDowell, Nathan G.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Sohn, JA (reprint author), Univ Freiburg, Fac Environm & Nat Resources, Chair Silviculture, D-79085 Freiburg, Germany. EM julia.sohn@waldbau.uni-freiburg.de RI Bauhus, Jurgen/G-4449-2013; OI Bauhus, Jurgen/0000-0002-9673-4986; Brooks, Renee/0000-0002-5008-9774 FU Deutsche Forschungsgemeinschaft [BA 2821/11-1]; Landesgraduiertenforderung Baden-Wurttemberg; graduate school "Environment, Society and Global Change" at Freiburg University; Wissenschaftliche Gesellschaft Freiburg; Department of Energy, Office of Biological and Environmental Research FX We would like to thank the Deutsche Forschungsgemeinschaft (BA 2821/11-1), the Landesgraduiertenforderung Baden-Wurttemberg, the graduate school "Environment, Society and Global Change" at Freiburg University, and the Wissenschaftliche Gesellschaft Freiburg for their financial support. Many thanks also to Dr. Bernd Kammerer and Erika Fischer of the Center for Biological Systems Analysis (ZBSA) in Freiburg for their help with stable isotope analysis. This manuscript has been subjected to the Environmental Protection Agency's peer and administrative review, and it has been approved for publication as an EPA document. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. This project was also supported by the Department of Energy, Office of Biological and Environmental Research. We thank Lucy Kerhoulas from NAU who assembled and kindly provided the climatic data used in this study. NR 114 TC 5 Z9 5 U1 0 U2 33 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0931-1890 EI 1432-2285 J9 TREES-STRUCT FUNCT JI Trees-Struct. Funct. PD AUG PY 2014 VL 28 IS 4 BP 1035 EP 1051 DI 10.1007/s00468-014-1016-z PG 17 WC Forestry SC Forestry GA AM5EH UT WOS:000339878500008 ER PT J AU Nemer, MB Roberts, CC Hughes, LG Wyatt, NB Brooks, CF Rao, R AF Nemer, Martin B. Roberts, Christine C. Hughes, Lindsey G. Wyatt, Nicholas B. Brooks, Carlton F. Rao, Rekha TI Drop Mass Transfer in a Microfluidic Chip Compared to a Centrifugal Contactor SO AICHE JOURNAL LA English DT Article DE separation techniques; extraction; microfluidics ID SOLVENT-EXTRACTION; PROBE MOLECULE; METAL-IONS; DIFFUSION; FLOW; DYNAMICS; THENOYLTRIFLUOROACETONE; SIMULATIONS; BREAKUP; SYSTEM AB A model system was developed for enabling a multiscale understanding of centrifugal-contactor liquid-liquid extraction. The system consisted of Nd(III) + xylenol orange in the aqueous phase buffered to pH = 5.5 by KHP, and dodecane + thenoyltrifluroroacetone (HTTA) + tributyphosphate (TBP) in the organic phase. Diffusion constants were measured for neodymium in both the organic and aqueous phases, and the Nd(III) partition coefficients were measured at various HTTA and TBP concentrations. A microfluidic channel was used as a high-shear model environment to observe mass transfer on a droplet scale with xylenol orange as the aqueous-phase metal indicator; mass-transfer rates were measured quantitatively in both diffusion and reaction limited regimes on the droplet scale. The microfluidic results were comparable to observations made for the same system in a laboratory scale liquid-liquid centrifugal contactor, indicating that single drop microfluidic experiments can provide information on mass transfer in complicated flows and geometries. (C) 2014 American Institute of Chemical Engineers C1 [Nemer, Martin B.; Roberts, Christine C.; Hughes, Lindsey G.; Wyatt, Nicholas B.; Brooks, Carlton F.; Rao, Rekha] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Nemer, MB (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM mbnemer@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 39 TC 1 Z9 1 U1 8 U2 40 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0001-1541 EI 1547-5905 J9 AICHE J JI AICHE J. PD AUG PY 2014 VL 60 IS 8 BP 3071 EP 3078 DI 10.1002/aic.14510 PG 8 WC Engineering, Chemical SC Engineering GA AL6PX UT WOS:000339256100032 ER PT J AU Zhang, L Wu, F Lee, SC Zhao, H Zhang, L AF Zhang, L. Wu, F. Lee, S. C. Zhao, H. Zhang, L. TI pH-Dependent Drug-Drug Interactions for Weak Base Drugs: Potential Implications for New Drug Development SO CLINICAL PHARMACOLOGY & THERAPEUTICS LA English DT Article ID PROTON-PUMP INHIBITORS; ACID-REDUCING AGENTS; CONCOMITANT USE; ABSORPTION; PANTOPRAZOLE; ANTACIDS; LANSOPRAZOLE; OMEPRAZOLE; THERAPY; UPDATE AB Absorption of an orally administered drug with pH-dependent solubility may be altered when it is coadministered with a gastric acid-reducing agent (ARA). Assessing a drug's potential for pH-dependent drug-drug interactions (DDIs), considering study design elements for such DDI studies, and interpreting and communicating study results in the drug labeling to guide drug dosing are important for drug development. We collected pertinent information related to new molecular entities approved from January 2003 to May 2013 by the US Food and Drug Administration for which clinical DDI studies with ARAs were performed. On the basis of assessments of data on pH solubility and in vivo DDIs with ARAs, we proposed a conceptual framework for assessing the need for clinical pH-dependent DDI studies for weak base drugs (WBDs). Important study design considerations include selection of ARAs and timing of dosing of an ARA relative to the WBD in a DDI study. Labeling implications for drugs having DDIs with ARAs are also illustrated. C1 [Zhang, L.; Wu, F.; Lee, S. C.; Zhao, H.; Zhang, L.] US FDA, Off Clin Pharmacol, Off Translat Sci, Ctr Drug Evaluat & Res, Silver Spring, MD 20993 USA. [Wu, F.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Zhang, L (reprint author), US FDA, Off Clin Pharmacol, Off Translat Sci, Ctr Drug Evaluat & Res, Silver Spring, MD 20993 USA. EM leik.zhang@fda.hhs.gov FU Center for Drug Evaluation and Research FX The authors thank Issam Zineh and Shiew-Mei Huang for their valuable comments and critical review of the manuscript and Katie Pauley for her help with the initial data collection. This work was supported in part by an appointment to the Research Participation Program at the Center for Drug Evaluation and Research administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the US Department of Energy and the US Food and Drug Administration (F.W.). The views presented are those of the authors and do not necessarily reflect the official policy of the US Food and Drug Administration. NR 31 TC 17 Z9 17 U1 0 U2 7 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0009-9236 EI 1532-6535 J9 CLIN PHARMACOL THER JI Clin. Pharmacol. Ther. PD AUG PY 2014 VL 96 IS 2 BP 266 EP 277 DI 10.1038/clpt.2014.87 PG 12 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA AM1JT UT WOS:000339602900038 PM 24733008 ER PT J AU Vine, E Sullivan, M Lutzenhiser, L Blumstein, C Miller, B AF Vine, Edward Sullivan, Michael Lutzenhiser, Loren Blumstein, Carl Miller, Bill TI Experimentation and the evaluation of energy efficiency programs SO ENERGY EFFICIENCY LA English DT Article DE Experimental design; Evaluation; Energy efficiency ID BEHAVIOR AB The use of experiments- particularly randomized controlled trials (RCTs) where subjects are randomly assigned to treatment and control conditions-has rarely been applied to the process of improving the design of energy efficiency programs and, more fundamentally, to determining the net savings from energy efficiency programs. This paper discusses the use of experimentation in the energy efficiency program field with the hope of explaining how these experiments can be used, and identifying the barriers to their use will cause more experimentation to occur. First, a brief overview of experimental methods is presented. This discussion describes the advantages and disadvantages of conducting experiments in the context of the development and evaluation of energy efficiency programs. It then discusses barriers to the use of experimental methods (including cost and equity issues) and suggests some ways of overcoming these barriers. Finally, recommendations are made for implementing key social experiments, discussing the types of energy efficiency programs and issues that can make use of experimentation and variables that one might use for selecting treatments. C1 [Vine, Edward] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sullivan, Michael] Freeman Sullivan & Co, San Francisco, CA USA. [Lutzenhiser, Loren] Portland State Univ, Portland, OR 97207 USA. [Blumstein, Carl] Calif Inst Energy & Environm, Berkeley, CA USA. [Miller, Bill] SRA Int, Arlington, VA USA. RP Vine, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM elvine@lbl.gov NR 36 TC 4 Z9 4 U1 2 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD AUG PY 2014 VL 7 IS 4 BP 627 EP 640 DI 10.1007/s12053-013-9244-4 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA AL7TM UT WOS:000339338500005 ER PT J AU Gordon, CT Attanasio, C Bhatia, S Benko, S Ansari, M Tan, TY Munnich, A Pennacchio, LA Abadie, V Temple, IK Goldenberg, A van Heyningen, V Amiel, J FitzPatrick, D Kleinjan, DA Visel, A Lyonnet, S AF Gordon, Christopher T. Attanasio, Catia Bhatia, Shipra Benko, Sabina Ansari, Morad Tan, Tiong Y. Munnich, Arnold Pennacchio, Len A. Abadie, Veronique Temple, I. Karen Goldenberg, Alice van Heyningen, Veronica Amiel, Jeanne FitzPatrick, David Kleinjan, Dirk A. Visel, Axel Lyonnet, Stanislas TI Identification of Novel Craniofacial Regulatory Domains Located far Upstream of SOX9 and Disrupted in Pierre Robin Sequence SO HUMAN MUTATION LA English DT Article DE SOX9; craniofacial; enhancer; Pierre Robin; long-range regulation; campomelic dysplasia ID LYMPHEDEMA-DISTICHIASIS SYNDROME; CAMPOMELIC DYSPLASIA; TRANSCRIPTION FACTOR; CLINICAL HETEROGENEITY; TRUNCATING MUTATIONS; NONCODING ELEMENTS; CLEFT-PALATE; KB UPSTREAM; ENHANCER; BREAKPOINTS AB Mutations in the coding sequence of SOX9 cause campomelic dysplasia (CD), a disorder of skeletal development associated with 46, XY disorders of sex development (DSDs). Translocations, deletions, and duplications within a similar to 2 Mb region upstream of SOX9 can recapitulate the CD-DSD phenotype fully or partially, suggesting the existence of an unusually large cis-regulatory control region. Pierre Robin sequence (PRS) is a craniofacial disorder that is frequently an endophenotype of CD and a locus for isolated PRS at similar to 1.2-1.5 Mb upstream of SOX9 has been previously reported. The craniofacial regulatory potential within this locus, and within the greater genomic domain surrounding SOX9, remains poorly defined. We report two novel deletions upstream of SOX9 in families with PRS, allowing refinement of the regions harboring candidate craniofacial regulatory elements. In parallel, ChIP-Seq for p300 binding sites in mouse craniofacial tissue led to the identification of several novel craniofacial enhancers at the SOX9 locus, which were validated in transgenic reporter mice and zebrafish. Notably, some of the functionally validated elements fall within the PRS deletions. These studies suggest that multiple non-coding elements contribute to the craniofacial regulation of SOX9 expression, and that their disruption results in PRS. (C) 2014 Wiley Periodicals, Inc. C1 [Gordon, Christopher T.; Benko, Sabina; Munnich, Arnold; Amiel, Jeanne; Lyonnet, Stanislas] Univ Paris 05, Sorbonne Paris Cite, Inst Imagine, INSERM,U1163, Paris, France. [Attanasio, Catia; Pennacchio, Len A.; Visel, Axel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Attanasio, Catia] Univ Lausanne, Ctr Integrat Genom, Fac Biol & Med, Lausanne, Switzerland. [Bhatia, Shipra; Ansari, Morad; van Heyningen, Veronica; FitzPatrick, David; Kleinjan, Dirk A.] Univ Edinburgh, MRC Inst Genet & Mol Med, MRC Human Genet Unit, Edinburgh, Midlothian, Scotland. [Benko, Sabina] Icahn Sch Med Mt Sinai, Dept Struct & Chem Biol, New York, NY 10029 USA. [Tan, Tiong Y.] Royal Childrens Hosp, Murdoch Childrens Res Inst, Victorian Clin Genet Serv, Melbourne, Vic, Australia. [Munnich, Arnold; Amiel, Jeanne; Lyonnet, Stanislas] Hop Necker Enfants Malad, AP HP, Paris, France. [Pennacchio, Len A.; Visel, Axel] US DOE, Joint Genome Inst, Walnut Creek, CA USA. [Abadie, Veronique] Univ Paris 05, Hop Necker Enfants Malad, Serv Pediat Gen, Paris, France. [Temple, I. Karen] Univ Southampton, Fac Med, Southampton SO9 5NH, Hants, England. [Goldenberg, Alice] CHU Charles Nicolle, Serv Genet Med, Rouen, France. [Visel, Axel] Univ Calif, Sch Nat Sci, Merced, CA USA. RP Gordon, CT (reprint author), INSERM, U1163, Inst Imagine, 24 Blvd Montparnasse, F-75015 Paris, France. EM chris.gordon@inserm.fr; stanislas.lyonnet@inserm.fr RI van Heyningen, Veronica/B-8039-2008; temple, isabel/K-2391-2015; Visel, Axel/A-9398-2009; attanasio, catia/D-5042-2017; Gordon, Christopher/F-1267-2017; OI van Heyningen, Veronica/0000-0003-0359-0141; Visel, Axel/0000-0002-4130-7784; Gordon, Christopher/0000-0002-9300-8399; FitzPatrick, David R./0000-0003-4861-969X FU ANR (EvoDevoMut); ANR (CRANIRARE); ANR [IHU-2010-001]; NHMRC Training Fellowship [607431]; NIH [R01HG003988, U01DE020060]; SNSF Advanced Researchers Fellowship; Department of Energy [DE-AC02-05CH11231] FX Contract grant sponsors: ANR (EvoDevoMut, CRANIRARE, and IHU-2010-001); NHMRC Training Fellowship (#607431); NIH Grants (R01HG003988, U01DE020060); SNSF Advanced Researchers Fellowship; Department of Energy (Contract DE-AC02-05CH11231). NR 45 TC 18 Z9 18 U1 0 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1059-7794 EI 1098-1004 J9 HUM MUTAT JI Hum. Mutat. PD AUG PY 2014 VL 35 IS 8 BP 1011 EP 1020 DI 10.1002/humu.22606 PG 10 WC Genetics & Heredity SC Genetics & Heredity GA AL9AL UT WOS:000339431600015 PM 24934569 ER PT J AU Xiang, ZY Watson, J Tobimatsu, Y Runge, T AF Xiang, Zhouyang Watson, Jamison Tobimatsu, Yuki Runge, Troy TI Film-forming polymers from distillers' grains: structural and material properties SO INDUSTRIAL CROPS AND PRODUCTS LA English DT Article DE 2D-NMR; Alkaline extraction; Animal feed; Distillers' grains; Hemicelluloses; Paper coating ID NEUTRAL DETERGENT FIBER; LIQUID HOT-WATER; CORN FIBER; PHYSICOCHEMICAL CHARACTERIZATION; PEROXIDE EXTRACTION; ETHANOL-PRODUCTION; ALKALINE PEROXIDE; DRIED GRAINS; HEMICELLULOSES; PRETREATMENT AB Hemicelluloses are promising biopolymers for substituting petroleum-based polymers. Distillers' grains (DG), a residual product from the dry grind ethanol industry, has a high hemicellulose and low lignin content making it an interesting feedstock as a low-cost source of hemicelluloses. This study fractionated DG into an alkali-soluble hemicellulose-rich polymer (DG-HC) and an alkali-insoluble residue (DG-AI). Chemical and 2D-NMR analyses suggested that DG-HC was rich in arabinoxylans, whereas DG-AI was more rich in glucans, along with crude proteins and fat. The DG-HC was made into stand-alone films or thin film coatings on paper, and evaluated by DSC, TGA, FT-IR, corrected water vapor transfer rate and tensile strength. Created DG-HC films were stiff with a T-g of about 174 degrees C. When coated onto paper, DG-HC can effectively increase paper dry and wet tensile strength. The residual DG-AI was characterized showing good potential for animal feed, having approximately 95% in vitro true dry matter digestibility. (C) 2014 Elsevier B.V. All rights reserved. C1 [Xiang, Zhouyang; Runge, Troy] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53706 USA. [Watson, Jamison; Tobimatsu, Yuki; Runge, Troy] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Wisconsin Energy Inst, Madison, WI 53726 USA. [Tobimatsu, Yuki] Univ Wisconsin, Dept Biochem, Madison, WI 53726 USA. RP Runge, T (reprint author), Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53706 USA. EM trunge@wisc.edu FU U.S. Department of Agriculture, under contract USDA Critical Agricultural Material Grant [2013-38202-20400]; US Department of Energy, the Office of Science [BER DE-FC02-07ER64494] FX This work was supported by U.S. Department of Agriculture, under contract USDA Critical Agricultural Material Grant (2013-38202-20400). NMR experiments were carried out at the Great Lakes Bioenergy Research Center with support from the funding from US Department of Energy, the Office of Science (BER DE-FC02-07ER64494). The authors would like to give their appreciations to Dr. John Ralph for providing the instrument and valuable advices for the NMR analysis, to Dr. Sasikumar Elumalai for uronic acid analysis, to Yi-cheng Wang and Dr. Sundaram Gunasekaran for FTIR analysis, and to Didion Milling Inc. for materials and valuable discussions. NR 44 TC 8 Z9 8 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-6690 EI 1872-633X J9 IND CROP PROD JI Ind. Crop. Prod. PD AUG PY 2014 VL 59 BP 282 EP 289 DI 10.1016/j.indcrop.2014.05.023 PG 8 WC Agricultural Engineering; Agronomy SC Agriculture GA AM1IU UT WOS:000339600400042 ER PT J AU Liu, Y Zhang, R Lian, ZS Wang, SH Wright, AT AF Liu, Yun Zhang, Rui Lian, Zhongshuai Wang, Shihui Wright, Aaron T. TI Yeast cell surface display for lipase whole cell catalyst and its applications SO JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC LA English DT Review DE Whole cell catalyst; Lipase; Surface display technique; Yeast cell; Application ID CANDIDA-ANTARCTICA LIPASE; BIODIESEL-FUEL PRODUCTION; ESTER SYNTHESIS REACTION; RHIZOPUS-ORYZAE LIPASE; GEOTRICHUM SP LIPASE; PICHIA-PASTORIS; SACCHAROMYCES-CEREVISIAE; YARROWIA-LIPOLYTICA; ORGANIC-SOLVENTS; WALL PROTEIN AB The cell surface display technique allows for the expression of target proteins or peptides on the microbial cell surface by fusing an appropriate protein as an anchoring motif. Yeast display systems, such as Pichia pastoris, Yarowia lipolytica and Saccharomyces cerevisiae, are ideal, alternative and extensive display systems with the advantage of simple genetic manipulation and post-translational modification of expressed heterologous proteins. Engineered yeasts show high performance characteristics and variant utilizations. Herein, we comprehensively summarize the variant factors affecting lipase whole cell catalyst activity and display efficiency, including the structure and size of target proteins, screening anchor proteins, type and chain length of linkers, and the appropriate matching rules among the above-mentioned display units. Furthermore, we also address novel approaches to enhance stability and activity of recombinant lipases, such as VHb gene co-expression, multi-enzyme co-display technique, and the micro-environmental interference and self-assembly techniques. Finally, we represent the variety of applications of whole cell surface displayed lipases on yeast cells in non-aqueous phases, including synthesis of esters, PUFA enrichment, resolution of chiral drugs, organic synthesis and biofuels. We demonstrate that the lipase surface display technique is a powerful tool for functionalizing yeasts to serve as whole cell catalysts, and increasing interest is providing an impetus for broad application of this technique. (C) 2014 Elsevier B.V. All rights reserved. C1 [Liu, Yun; Zhang, Rui; Lian, Zhongshuai; Wang, Shihui] Beijing Univ Chem Technol, Beijing Key Lab Bioproc, Coll Life Sci & Technol, Biorefinery Res & Engn Ctr,Minist Educ China, Beijing 100029, Peoples R China. [Liu, Yun; Wright, Aaron T.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Liu, Y (reprint author), Beijing Univ Chem Technol, Beijing Key Lab Bioproc, Coll Life Sci & Technol, Biorefinery Res & Engn Ctr,Minist Educ China, Beijing 100029, Peoples R China. EM liuyun@mail.buct.edu.cn OI Wright, Aaron/0000-0002-3172-5253 FU Natural Science Foundation of China [31270858, 31070709]; China Scholarship Council (CSC) FX This work was financially supported by the Natural Science Foundation of China (31270858, 31070709), and the China Scholarship Council (CSC). NR 119 TC 10 Z9 11 U1 8 U2 96 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-1177 EI 1873-3158 J9 J MOL CATAL B-ENZYM JI J. Mol. Catal. B-Enzym. PD AUG PY 2014 VL 106 BP 17 EP 25 DI 10.1016/j.molcatb.2014.04.011 PG 9 WC Biochemistry & Molecular Biology; Chemistry, Physical SC Biochemistry & Molecular Biology; Chemistry GA AM0KG UT WOS:000339533900003 ER PT J AU Chuang, HH Cohen, BE AF Chuang, H. -H. Cohen, B. E. TI Targeting oxidant-sensitized TRPV1 with pore permeating capsaicin analogs SO JOURNAL OF NEUROCHEMISTRY LA English DT Meeting Abstract CT 12th Biennial Meeting of the Asian-Pacific-Society-for-Neurochemistry CY AUG 23-26, 2014 CL Kaohsiung, TAIWAN SP Asian Pacific Soc Neurochemistry C1 [Chuang, H. -H.] Acad Sinica, Inst Mol Biol, Taipei 11529, Taiwan. [Cohen, B. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Nanostruct Lab, Mol Foundry, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0022-3042 EI 1471-4159 J9 J NEUROCHEM JI J. Neurochem. PD AUG PY 2014 VL 130 SU 1 SI SI MA S04-2 BP 10 EP 10 PG 1 WC Biochemistry & Molecular Biology; Neurosciences SC Biochemistry & Molecular Biology; Neurosciences & Neurology GA AL9VZ UT WOS:000339492800018 ER PT J AU Klug, CL Bridges, NJ Visser, AE Crump, SL Villa-Aleman, E AF Klug, Christopher L. Bridges, Nicholas J. Visser, Ann E. Crump, Stephen L. Villa-Aleman, Eliel TI Electrochemical degradation of butyltrimethylammonium bis(trifluoromethylsulfonyl)imide for lithium battery applications SO NEW JOURNAL OF CHEMISTRY LA English DT Article ID TEMPERATURE IONIC LIQUIDS; ELECTROLYTES; WINDOWS; DECOMPOSITION; RADIATION; STABILITY; MIXTURES; SYSTEMS AB Ionic liquids (Is) are being considered as electrolytes for lithium ion batteries due to their low volatility, high thermal stability, and wide electrochemical windows which are stable at the strongly reducing potentials present in Li/Li+ batteries. Lithium metal deposition occurs under strongly reducing conditions and the effect that Li metal and any overpotential has on the stability of ILs is important in furthering the application of ILs in lithium based batteries. Here, N-butyl-N-trimethylammonium bis(trifluoromethylsulfonyl)imide was exposed to various potential differences in order to collect and characterize the volatile products. The IL produced more volatile products when exposed to strong reducing potentials which included reactive products such as hydrogen, alkanes, and amines. Water is a known contributor to hydrogen production in reducing environments, but the IL is also a source of hydrogen. If Li+ was present, the preferred pathway of reduction was plating of the lithium onto the working electrode, thus decreasing the reaction rate of degraded ILs. C1 [Klug, Christopher L.; Bridges, Nicholas J.; Visser, Ann E.; Crump, Stephen L.; Villa-Aleman, Eliel] Savannah River Natl Lab, Aiken, SC 29808 USA. [Klug, Christopher L.] Georgia Regents Univ, Dept Chem & Phys, Augusta, GA 30912 USA. RP Bridges, NJ (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM Nicholas.Bridges@SRNL.doe.gov OI Klug, Christopher/0000-0002-6987-3091 FU U.S. Department of Energy [DEAC09-08SR22470] FX Savannah River National Laboratory is operated by Savannah River Nuclear Solutions. This manuscript has been authored by Savannah River Nuclear Solutions, LLC under Contract No. DEAC09-08SR22470 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States Government purposes. NR 24 TC 1 Z9 1 U1 5 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1144-0546 EI 1369-9261 J9 NEW J CHEM JI New J. Chem. PD AUG PY 2014 VL 38 IS 8 BP 3879 EP 3884 DI 10.1039/c4nj00355a PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AL9OB UT WOS:000339469500071 ER PT J AU Solbrig, CW Pope, C Andrus, J AF Solbrig, Charles W. Pope, Chad Andrus, Jason TI Transient response and radiation dose estimates for breaches to a spent fuel processing facility SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article AB This paper describes the analysis of the design basis accident for Idaho National Laboratory Fuel Conditioning Facility (FCF). The facility is used to process spent metallic nuclear fuel. This analysis involves a model of the transient behavior of the FCF inert atmosphere hot cell following an earthquake initiated breach of pipes passing through the cell boundary. Such breaches allow the introduction of air and subsequent burning of pyrophoric metals. The model predicts the pressure, temperature, volumetric releases, cell heat transfer, metal fuel combustion, heat generation rates, radiological releases and other quantities. The results show that releases from the cell are minimal and satisfactory for safety. This analysis method should be useful in other facilities that have potential for damage from an earthquake and could eliminate the need to back fit facilities with earthquake proof boundaries or lessen the cost of new facilities. (C) 2014 Elsevier B.V. All rights reserved. C1 [Solbrig, Charles W.; Pope, Chad; Andrus, Jason] Idaho Natl Lab, Batelle Energy Alliance, Idaho Falls, ID 83404 USA. RP Solbrig, CW (reprint author), Idaho Natl Lab, Batelle Energy Alliance, POB 2528, Idaho Falls, ID 83404 USA. EM soltechco@aol.com FU U.S. Department of Energy [W-31-109-ENG-38]; Battelle Energy Alliance, LLC [DE-AC07-051D14517] FX This paper is dedicated to our friend Professor Michael J. Lineberry. As the Fuel Cycle Division Director for the Argonne National Laboratory Integral Fast Reactor Program, Michael This project was supported by the U.S. Department of Energy, under Contract W-31-109-ENG-38. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-051D14517 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 11 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2014 VL 275 BP 352 EP 367 DI 10.1016/j.nucengdes.2014.05.019 PG 16 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AL9KE UT WOS:000339459200038 ER PT J AU Brown, NR Aronson, A Todosow, M Brito, R McClellan, KJ AF Brown, Nicholas R. Aronson, Arnold Todosow, Michael Brito, Ryan McClellan, Kenneth J. TI Neutronic performance of uranium nitride composite fuels in a PWR SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID MATERIAL PROPERTY CORRELATIONS; INERT MATRIX FUEL; THERMAL-CONDUCTIVITY; LIGHT-WATER; MONONITRIDE; ZIRCONIA; TEMPERATURE; POROSITY AB Uranium mononitride (UN) based composite nuclear fuels may have potential benefits in light water reactor applications, including enhanced thermal conductivity and increased fuel density. However, uranium nitride reacts chemically when in contact with water, especially at high temperatures. To overcome this challenge, several advanced composite fuels have been proposed with uranium nitride as a primary phase. The primary nitride phase is "shielded" from water by a secondary phase, which would allow the potential benefits of nitride fuels to be realized. This work is an operational assessment of four different candidate composite materials. We considered uranium dioxide (UO2) and UN base cases and compared them with the candidate composite UN-based fuels. The comparison was performed for nominal conditions in a reference PWR with Zr-based cladding. We assessed the impact of UN porosity on the operational performance, because this is a key sensitivity parameter. As composite fuels, we studied UN/U3Si5, UN/U3Si2, UN/UB4, and UN/ZrO2. In the case of UB4, the boron content is 100% enriched in B-11. The proposed zirconium dioxide (ZrO2) phase is cubic and yttria-stabilized. In all cases UN is the primary phase, with small fractions of U3Si5, U3Si5, UB4, or ZrO2 as a secondary phase. In this analysis we showed that two baseline nitride cases at different fractions of theoretical density (0.8 and 0.95) generally bound the neutronic performance of the candidate composite fuels. Performance was comparable with UO2. One notable difference observed was longer cycle lengths with the composite fuels (due to increased fuel loading). Another significant finding is that the nitride composites exhibited a harder neutron spectrum, which decreased the reactivity worth of burnable absorbers, soluble boron, and control rod materials relative to the UO2 case. In general, the full-core reactivity coefficients for the nitride and nitride composite fuels were within the design limits for the reference PWR and UO2-Zr fuel system. It is noted that the limits for the proposed advanced composites will likely be different than the reference UO2 fuel. The baseline UN and UN/ZrO2 cases, both with relatively high porosity in the nitride phase (20%), exhibited the strongest similarity to the reference UO2 case. (C) 2014 Elsevier B.V. All rights reserved. C1 [Brown, Nicholas R.; Aronson, Arnold; Todosow, Michael; Brito, Ryan] Brookhaven Natl Lab, Upton, NY 11973 USA. [Brito, Ryan] Intern Texas A&M Dept Nucl Engn, Houston, TX USA. [McClellan, Kenneth J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brown, NR (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. EM nbrown@bnl.gov FU employees of Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; Los Alamos National Security, LLC [DE-AC52-06NA25396]; U.S. Department of Energy FX This manuscript has been authored by employees of Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 and of Los Alamos National Security, LLC under contract DE-AC52-06NA25396 with the U.S. Department of Energy. The publisher by accepting the manuscript for publication acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 42 TC 11 Z9 12 U1 3 U2 46 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2014 VL 275 BP 393 EP 407 DI 10.1016/j.nucengdes.2014.04.040 PG 15 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AL9KE UT WOS:000339459200042 ER PT J AU Srivastava, SC AF Srivastava, Suresh C. TI Enabling simultaneous imaging and treatment with the theragnostic radionuclide Tin-117 m SO NUCLEAR MEDICINE AND BIOLOGY LA English DT Meeting Abstract C1 [Srivastava, Suresh C.] Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0969-8051 EI 1872-9614 J9 NUCL MED BIOL JI Nucl. Med. Biol. PD AUG PY 2014 VL 41 IS 7 MA 100 BP 640 EP 640 DI 10.1016/j.nucmedbio.2014.05.065 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AM1IL UT WOS:000339599500110 ER PT J AU Phillips, DR AF Phillips, Dennis R. TI Radiometals development in the US Department of Energy Isotope Program SO NUCLEAR MEDICINE AND BIOLOGY LA English DT Meeting Abstract C1 [Phillips, Dennis R.] US DOE, Off Sci, Isotope Program, Off Nucl Phys, Washington, DC 20585 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0969-8051 EI 1872-9614 J9 NUCL MED BIOL JI Nucl. Med. Biol. PD AUG PY 2014 VL 41 IS 7 MA 119 BP 645 EP 646 DI 10.1016/j.nucmedbio.2014.05.131 PG 2 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AM1IL UT WOS:000339599500129 ER PT J AU Solvik, K Sharma, R Smith, SV AF Solvik, Kylen Sharma, Ramesh Smith, Suzanne V. TI High purity Cu-67 using 40-50 MeV protons at the Brookhaven Linac Isotope Producer SO NUCLEAR MEDICINE AND BIOLOGY LA English DT Meeting Abstract C1 [Solvik, Kylen] Haverford Coll, Haverford, PA 19041 USA. [Sharma, Ramesh; Smith, Suzanne V.] Brookhaven Natl Lab, Collider Accelerator Dept, Med Isotope Res Program, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0969-8051 EI 1872-9614 J9 NUCL MED BIOL JI Nucl. Med. Biol. PD AUG PY 2014 VL 41 IS 7 MA 125 BP 647 EP 647 DI 10.1016/j.nucmedbio.2014.05.117 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AM1IL UT WOS:000339599500135 ER PT J AU Gotlib, ZP Smith, SV AF Gotlib, Zachary P. Smith, Suzanne V. TI Production of high purity Co-57 at the Brookhaven Linac Isotope Producer SO NUCLEAR MEDICINE AND BIOLOGY LA English DT Meeting Abstract C1 [Gotlib, Zachary P.] Kutztown Univ Penn, Dept Chem, Kutztown, PA 19530 USA. [Smith, Suzanne V.] Brookhaven Natl Lab, Collider Accelerator Dept, Med Isotope Res Program, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0969-8051 EI 1872-9614 J9 NUCL MED BIOL JI Nucl. Med. Biol. PD AUG PY 2014 VL 41 IS 7 MA 131 BP 649 EP 649 DI 10.1016/j.nucmedbio.2014.05.118 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AM1IL UT WOS:000339599500141 ER PT J AU Reed, H Smith, SV AF Reed, Hayley Smith, Suzanne V. TI Microspectrophotometry for detection of metal ion concentration of radioisotopic solutions SO NUCLEAR MEDICINE AND BIOLOGY LA English DT Meeting Abstract C1 [Reed, Hayley] Muhlenberg Coll, Dept Chem, Allentown, PA 18104 USA. [Smith, Suzanne V.] Brookhaven Natl Lab, Collider Accelerator Dept, Med Isotope Res Program, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0969-8051 EI 1872-9614 J9 NUCL MED BIOL JI Nucl. Med. Biol. PD AUG PY 2014 VL 41 IS 7 MA 134 BP 649 EP 650 DI 10.1016/j.nucmedbio.2014.05.1.19 PG 2 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AM1IL UT WOS:000339599500144 ER PT J AU Hirotsu, M Onogi, T Shintani, E AF Hirotsu, Masaki Onogi, Tetsuya Shintani, Eigo TI Position space formulation for Dirac fermions on honeycomb lattice SO NUCLEAR PHYSICS B LA English DT Article ID SUSSKIND FERMIONS; GRAPHENE AB We study how to construct Dirac fermion defined on the honeycomb lattice in position space. Starting from the nearest neighbor interaction in tight binding model, we show that the Hamiltonian is constructed by kinetic term and second derivative term of three flavor Dirac fermions in which one flavor has a mass of cutoff order and the other flavors are massless. In this formulation, the structure of the Dirac point is simplified so that its uniqueness can be easily shown even if we consider the next-to-nearest neighbor interaction. We also show that there is a hidden exact U(1) symmetry (flavor-chiral symmetry) at finite lattice spacing, which protects the masslessness of the Dirac fermion, and discuss the analogy with the staggered fermion formulation. (C) 2014 The Authors. Published by Elsevier B.V. C1 [Hirotsu, Masaki; Onogi, Tetsuya] Osaka Univ, Grad Sch Sci, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Shintani, Eigo] Johannes Gutenberg Univ Mainz, Inst Kernphys, PRISMA Cluster Excellence, D-55099 Mainz, Germany. [Shintani, Eigo] Johannes Gutenberg Univ Mainz, Helmholtz Inst Mainz, D-55099 Mainz, Germany. [Shintani, Eigo] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Hirotsu, M (reprint author), Osaka Univ, Grad Sch Sci, Dept Phys, Toyonaka, Osaka 5600043, Japan. EM hirotsu@hetmail.phys.sci.osaka-u.ac.jp; onogi@phys.sci.osaka-u.ac.jp; shintani@kph.uni-mainz.jp RI Shintani, Eigo/C-8623-2016 FU Japanese Ministry of Education (MEXT KAKENHI grant) [20105002, 23105714] FX The authors would like to thank Hidenori Fukaya, Yutaka Hosotani, and Satoshi Yamaguchi for useful discussions. This work is supported by the Grant-in-Aid of the Japanese Ministry of Education (Nos. 20105002, 23105714 (MEXT KAKENHI grant)). NR 29 TC 0 Z9 0 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 EI 1873-1562 J9 NUCL PHYS B JI Nucl. Phys. B PD AUG PY 2014 VL 885 BP 61 EP 75 DI 10.1016/j.nuclphysb.2014.05.014 PG 15 WC Physics, Particles & Fields SC Physics GA AM1HZ UT WOS:000339598300005 ER PT J AU Yang, W Sherman, VR Gludovatz, B Mackey, M Zimmermann, EA Chang, EH Schaible, E Qin, Z Buehler, MJ Ritchie, RO Meyers, MA AF Yang, Wen Sherman, Vincent R. Gludovatz, Bernd Mackey, Mason Zimmermann, Elizabeth A. Chang, Edwin H. Schaible, Eric Qin, Zhao Buehler, Markus J. Ritchie, Robert O. Meyers, Marc A. TI Protective role of Arapaima gigas fish scales: Structure and mechanical behavior SO ACTA BIOMATERIALIA LA English DT Article DE Arapaima; Fish scales; Armor; Collagen; Delamination ID LAMINATE STRUCTURE; DERMAL ARMOR; RESISTANCE; BONE AB The scales of the arapaima (Arapaima gigas), one of the largest freshwater fish in the world, can serve as inspiration for the design of flexible dermal armor. Each scale is composed of two layers: a laminate composite of parallel collagen fibrils and a hard, highly mineralized surface layer. We review the structure of the arapaima scales and examine the functions of the different layers, focusing on the mechanical behavior, including tension and penetration of the scales, with and without the highly mineralized outer layer. We show that the fracture of the mineral and the stretching, rotation and delamination of collagen fibrils dissipate a significant amount of energy prior to catastrophic failure, providing high toughness and resistance to penetration by predator teeth. We show that the arapaima's scale has evolved to minimize damage from penetration by predator teeth through a Bouligand-like arrangement of successive layers, each consisting of parallel collagen fibrils with different orientations. This inhibits crack propagation and restricts damage to an area adjoining the penetration. The flexibility of the lamellae is instrumental to the redistribution of the compressive stresses in the underlying tissue, decreasing the severity of the concentrated load produced by the action of a tooth. The experimental results, combined with small-angle Xray scattering characterization and molecular dynamics simulations, provide a complete picture of the mechanisms of deformation, delamination and rotation of the lamellae during tensile extension of the scale. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Yang, Wen; Sherman, Vincent R.; Meyers, Marc A.] Univ Calif San Diego, Mat Sci & Engn Program, La Jolla, CA 92093 USA. [Gludovatz, Bernd; Zimmermann, Elizabeth A.; Chang, Edwin H.; Schaible, Eric; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Mackey, Mason] Univ Calif San Diego, Natl Ctr Microscopy, La Jolla, CA 92093 USA. [Mackey, Mason] Univ Calif San Diego, Imaging Res Facil, La Jolla, CA 92093 USA. [Qin, Zhao; Buehler, Markus J.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. [Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Meyers, Marc A.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Meyers, Marc A.] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM roritchie@lbl.gov; mameyers@eng.ucsd.edu RI Ritchie, Robert/A-8066-2008; Zimmermann, Elizabeth/A-4010-2015; Buehler, Markus/C-4580-2008; Yang, Wen/H-8628-2013; YANG, Wen/E-1449-2015; Meyers, Marc/A-2970-2016; OI Ritchie, Robert/0000-0002-0501-6998; Buehler, Markus/0000-0002-4173-9659; Gludovatz, Bernd/0000-0002-2420-3879; Yang, Wen/0000-0002-1817-4194; YANG, Wen/0000-0002-1817-4194; Meyers, Marc/0000-0003-1698-5396; Zimmermann, Elizabeth/0000-0001-9927-3372 FU National Science Foundation, Division of Materials Research, Ceramics Program [1006931]; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the US Department of Energy [DE-AC02-05CH11231]; Office of Science of the US Department of Energy; ARO/ISN [W911NF-07-D-004]; UC Research Laboratories Grant [09-LR-06-118456-MEYM] FX This work was supported by the National Science Foundation, Division of Materials Research, Ceramics Program Grant, 1006931. The mechanical testing, in situ SEM and SAXS experiments were supported by the Mechanical Behavior of Materials Program at the Lawrence Berkeley National Laboratory (LBNL) funded by the Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the US Department of Energy under contract no. DE-AC02-05CH11231. The SAXS experiments were performed at beam line 7.3.3 at the Advanced Light Source at LBNL, also supported by the Office of Science of the US Department of Energy under the same contract. The computational work at MIT was funded by ARO/ISN under contract no. W911NF-07-D-004. W.Y. also acknowledges support from UC Research Laboratories Grant (09-LR-06-118456-MEYM). We thank Mr. Gaspar Ritter, Kuryiala Lodge, Araguaia River, for providing us with the arapaima scales. We thank Qian Huang and Maribel Montero for the help with the AFM images. NR 44 TC 24 Z9 24 U1 7 U2 59 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 EI 1878-7568 J9 ACTA BIOMATER JI Acta Biomater. PD AUG PY 2014 VL 10 IS 8 BP 3599 EP 3614 DI 10.1016/j.actbio.2014.04.009 PG 16 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA AL9KH UT WOS:000339459500023 PM 24816264 ER PT J AU Melin, AD Crowley, BE Brown, ST Wheatley, PV Moritz, GL Yu, FTY Bernard, H DePaolo, DJ Jacobson, AD Dominy, NJ AF Melin, Amanda D. Crowley, Brooke E. Brown, Shaun T. Wheatley, Patrick V. Moritz, Gillian L. Yu, Fred Tuh Yit Bernard, Henry DePaolo, Donald J. Jacobson, Andrew D. Dominy, Nathaniel J. TI Technical Note: Calcium and Carbon Stable Isotope Ratios as Paleodietary Indicators SO AMERICAN JOURNAL OF PHYSICAL ANTHROPOLOGY LA English DT Article DE stable isotope analysis; diet reconstruction; Scandentia; Cantius trigonodus ID BONE-MINERAL BALANCE; PRIMATE ORIGINS; RAIN-FOREST; COSTA-RICA; ECOLOGY; MAMMALS; DIET; PLANTS; FRACTIONATION; EVOLUTION AB Calcium stable isotope ratios are hypothesized to vary as a function of trophic level. This premise raises the possibility of using calcium stable isotope ratios to study the dietary behaviors of fossil taxa and to test competing hypotheses on the adaptive origins of euprimates. To explore this concept, we measured the stable isotope composition of contemporary mammals in northern Borneo and northwestern Costa Rica, two communities with functional or phylogenetic relevance to primate origins. We found that bone collagen delta C-13 and delta N-15 values could differentiate trophic levels in each assemblage, a result that justifies the use of these systems to test the predicted inverse relationship between bioapatite delta C-13 and delta Ca-44 values. As expected, taxonomic carnivores (felids) showed a combination of high delta C-13 and low delta Ca-44 values; however, the delta Ca-44 values of other faunivores were indistinguishable from those of primary consumers. We suggest that the trophic insensitivity of most bioapatite delta Ca-44 values is attributable to the negligible calcium content of arthropod prey. Although the present results are inconclusive, the tandem analysis of delta Ca-44 and delta C-13 values in fossils continues to hold promise for informing paleodietary studies and we highlight this potential by drawing attention to the stable isotope composition of the Early Eocene primate Cantius. (C) 2014 Wiley Periodicals, Inc. C1 [Melin, Amanda D.; Dominy, Nathaniel J.] Dartmouth Coll, Dept Anthropol, Hanover, NH 03755 USA. [Melin, Amanda D.] Washington Univ, Dept Anthropol, St Louis, MO 63130 USA. [Crowley, Brooke E.] Univ Cincinnati, Dept Geol, Cincinnati, OH 45221 USA. [Crowley, Brooke E.] Univ Cincinnati, Dept Anthropol, Cincinnati, OH 45221 USA. [Brown, Shaun T.; Wheatley, Patrick V.; DePaolo, Donald J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Isotope Geochem, Berkeley, CA 94720 USA. [Brown, Shaun T.; DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Moritz, Gillian L.; Dominy, Nathaniel J.] Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA. [Yu, Fred Tuh Yit] Res & Educ Div Zool & Entomol, Ranau 89308, Sabah, Malaysia. [Bernard, Henry] Univ Malaysia Sabah, Inst Trop Biol & Conservat, Kota Kinabalu 88999, Sabah, Malaysia. [Jacobson, Andrew D.] Northwestern Univ, Dept Earth & Planetary Sci, Evanston, IL 60208 USA. RP Melin, AD (reprint author), Washington Univ, Dept Anthropol, One Brookings Dr, St Louis, MO 63130 USA. EM amelin@wustl.edu; nathaniel.j.dominy@dartmouth.edu RI Brown, Shaun/E-9398-2015; Jacobson, Andrew/I-6102-2015; OI Brown, Shaun/0000-0002-2159-6718; Dominy, Nathaniel/0000-0001-5916-418X; Melin, Amanda/0000-0002-0612-2514; Crowley, Brooke/0000-0002-8462-6806 FU Natural Sciences and Engineering Research Council of Canada; Goodman Fund Grant, Department of Anthropology, Dartmouth College; U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [EAR-0723151]; David and Lucile Packard Fellowship in Science and Engineering [2007-31757, 2007-31754] FX Grant sponsor: Natural Sciences and Engineering Research Council of Canada Postdoctoral Fellowship to ADM; Grant sponsor: Goodman Fund Grant, Department of Anthropology, Dartmouth College to ADM; Grant sponsor: U.S. Department of Energy; Grant number: DE-AC02-05CH11231 to DJD; Grant sponsor: National Science Foundation; Grant number: EAR-0723151 to ADJ; Grant sponsor: David and Lucile Packard Fellowship in Science and Engineering; Grant numbers: 2007-31757 to ADJ; 2007-31754 to NJD. NR 80 TC 8 Z9 8 U1 6 U2 32 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-9483 EI 1096-8644 J9 AM J PHYS ANTHROPOL JI Am. J. Phys. Anthropol. PD AUG PY 2014 VL 154 IS 4 BP 633 EP 643 DI 10.1002/ajpa.22530 PG 11 WC Anthropology; Evolutionary Biology SC Anthropology; Evolutionary Biology GA AL6ZH UT WOS:000339282000019 PM 24839035 ER PT J AU Book, AJ Lewin, GR McDonald, BR Takasuka, TE Doering, DT Adams, AS Blodgett, JAV Clardy, J Raffa, KF Fox, BG Currie, CR AF Book, Adam J. Lewin, Gina R. McDonald, Bradon R. Takasuka, Taichi E. Doering, Drew T. Adams, Aaron S. Blodgett, Joshua A. V. Clardy, Jon Raffa, Kenneth F. Fox, Brian G. Currie, Cameron R. TI Cellulolytic Streptomyces Strains Associated with Herbivorous Insects Share a Phylogenetically Linked Capacity To Degrade Lignocellulose SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID CELLULASE; BACTERIAL; RETICULI; PROTEIN; GENOME; MICROORGANISMS; IDENTIFICATION; DIGESTION; ALIGNMENT; DOMAINS AB Actinobacteria in the genus Streptomyces are critical players in microbial communities that decompose complex carbohydrates in the soil, and these bacteria have recently been implicated in the deconstruction of plant polysaccharides for some herbivorous insects. Despite the importance of Streptomyces to carbon cycling, the extent of their plant biomass-degrading ability remains largely unknown. In this study, we compared four strains of Streptomyces isolated from insect herbivores that attack pine trees: DpondAA-B6 (SDPB6) from the mountain pine beetle, SPB74 from the southern pine beetle, and SirexAA-E (SACTE) and SirexAA-G from the woodwasp, Sirex noctilio. Biochemical analysis of secreted enzymes demonstrated that only two of these strains, SACTE and SDPB6, were efficient at degrading plant biomass. Genomic analyses indicated that SACTE and SDPB6 are closely related and that they share similar compositions of carbohydrate-active enzymes. Genome-wide proteomic and transcriptomic analyses revealed that the major exocellulases (GH6 and GH48), lytic polysaccharide monooxygenases (AA10), and mannanases (GH5) were conserved and secreted by both organisms, while the secreted endocellulases (GH5 and GH9 versus GH9 and GH12) were from diverged enzyme families. Together, these data identify two phylogenetically related insect-associated Streptomyces strains with high biomass-degrading activity and characterize key enzymatic similarities and differences used by these organisms to deconstruct plant biomass. C1 [Book, Adam J.; Lewin, Gina R.; McDonald, Bradon R.; Takasuka, Taichi E.; Doering, Drew T.; Adams, Aaron S.; Fox, Brian G.; Currie, Cameron R.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, DOE, Madison, WI 53706 USA. [Book, Adam J.; Lewin, Gina R.; McDonald, Bradon R.; Doering, Drew T.; Currie, Cameron R.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Takasuka, Taichi E.; Fox, Brian G.] Univ Wisconsin, Dept Biochem, Madison, WI 53705 USA. [Adams, Aaron S.; Raffa, Kenneth F.] Univ Wisconsin, Dept Entomol, Madison, WI 53706 USA. [Blodgett, Joshua A. V.; Clardy, Jon] Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, Boston, MA 02115 USA. RP Currie, CR (reprint author), Univ Wisconsin, Great Lakes Bioenergy Res Ctr, DOE, Madison, WI 53706 USA. EM currie@bact.wisc.edu RI Blodgett, Joshua/G-9355-2011 OI Doering, Drew/0000-0003-1884-9902; Blodgett, Joshua/0000-0002-7080-5870 FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC-02-07ER64494]; National Institutes of Health [GM096347]; National Science Foundation [GRFP DGE-1256259] FX This work was funded by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science; grant DE-FC-02-07ER64494). Funding for J.C. and C.R.C. was provided by the National Institutes of Health (grant GM096347). Funding for G.R.L. was provided by the National Science Foundation (grant GRFP DGE-1256259). NR 48 TC 14 Z9 15 U1 2 U2 46 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2014 VL 80 IS 15 BP 4692 EP 4701 DI 10.1128/AEM.01133-14 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AK8VX UT WOS:000338707800024 PM 24837391 ER PT J AU Musaev, OR Yan, J Dusevich, V Wrobel, JM Kruger, MB AF Musaev, O. R. Yan, J. Dusevich, V. Wrobel, J. M. Kruger, M. B. TI Ni nanoparticles fabricated by laser ablation in water SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID NICKEL NANOPARTICLES; INSTABILITY; AEROSOLS; SURFACE; SOLIDS; LIQUID; TARGET; FILMS; OXIDE; SIZE AB Nickel nanoparticles were fabricated by ablating a bulk Ni target with pulsed 337-nm laser radiation in distilled water. Transmission electron microscope images of the removed material show spherical particles with two size scales: tens of nm and hundreds of nm. Phase explosion and Rayleigh-Plateau hydrodynamic instability are suggested as being responsible for this distribution. An X-ray diffraction pattern of the ablated material demonstrates the presence of both nickel and nickel oxide. C1 [Musaev, O. R.; Wrobel, J. M.; Kruger, M. B.] Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA. [Yan, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Dusevich, V.] Univ Missouri, Sch Dent, Dept Oral Biol, Kansas City, MO 64108 USA. RP Musaev, OR (reprint author), Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA. EM musaevo@umkc.edu FU National Science Foundation [DMR-0923166] FX This work was partially supported by National Science Foundation Contract DMR-0923166. NR 42 TC 4 Z9 4 U1 1 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 EI 1432-0630 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD AUG PY 2014 VL 116 IS 2 BP 735 EP 739 DI 10.1007/s00339-014-8569-y PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AL7TA UT WOS:000339337200035 ER PT J AU Archer, A Barnacka, A Beilicke, M Benbow, W Berger, K Bird, R Biteau, J Buckley, JH Bugaev, V Byrum, K Cardenzana, JV Cerruti, M Chen, W Chen, X Ciupik, L Connolly, MP Cui, W Dickinson, HJ Dumm, J Eisch, JD Falcone, A Federici, S Feng, Q Finley, JP Fleischhack, H Fortson, L Furniss, A Galante, N Griffin, S Griffiths, ST Grube, J Gyuk, G Hakansson, N Hanna, D Holder, J Hughes, G Johnson, CA Kaaret, P Kar, P Kertzman, M Khassen, Y Kieda, D Krawczynski, H Kumar, S Lang, MJ Maier, G McArthur, S McCann, A Meagher, K Moriarty, P Mukherjee, R Nieto, D de Bhroithe, AO Ong, RA Otte, AN Park, N Perkins, JS Pohl, M Popkow, A Prokoph, H Pueschel, E Quinn, J Ragan, K Rajotte, J Reyes, LC Reynolds, PT Richards, GT Roache, E Sembroski, GH Shahinyan, K Smith, AW Staszak, D Telezhinsky, I Tucci, JV Tyler, J Varlotta, A Vincent, S Wakely, SP Weinstein, A Welsing, R Wilhelm, A Williams, DA Zajczyk, A Zitzer, B AF Archer, A. Barnacka, A. Beilicke, M. Benbow, W. Berger, K. Bird, R. Biteau, J. Buckley, J. H. Bugaev, V. Byrum, K. Cardenzana, J. V. Cerruti, M. Chen, W. Chen, X. Ciupik, L. Connolly, M. P. Cui, W. Dickinson, H. J. Dumm, J. Eisch, J. D. Falcone, A. Federici, S. Feng, Q. Finley, J. P. Fleischhack, H. Fortson, L. Furniss, A. Galante, N. Griffin, S. Griffiths, S. T. Grube, J. Gyuk, G. Hakansson, N. Hanna, D. Holder, J. Hughes, G. Johnson, C. A. Kaaret, P. Kar, P. Kertzman, M. Khassen, Y. Kieda, D. Krawczynski, H. Kumar, S. Lang, M. J. Maier, G. McArthur, S. McCann, A. Meagher, K. Moriarty, P. Mukherjee, R. Nieto, D. de Bhroithe, A. O'Faolain Ong, R. A. Otte, A. N. Park, N. Perkins, J. S. Pohl, M. Popkow, A. Prokoph, H. Pueschel, E. Quinn, J. Ragan, K. Rajotte, J. Reyes, L. C. Reynolds, P. T. Richards, G. T. Roache, E. Sembroski, G. H. Shahinyan, K. Smith, A. W. Staszak, D. Telezhinsky, I. Tucci, J. V. Tyler, J. Varlotta, A. Vincent, S. Wakely, S. P. Weinstein, A. Welsing, R. Wilhelm, A. Williams, D. A. Zajczyk, A. Zitzer, B. TI VERY-HIGH ENERGY OBSERVATIONS OF THE GALACTIC CENTER REGION BY VERITAS IN 2010-2012 SO ASTROPHYSICAL JOURNAL LA English DT Article DE astroparticle physics; black hole physics; Galaxy: center; gamma rays: galaxies; methods: data analysis; radiation mechanisms: non-thermal ID SGR-A-ASTERISK; GAMMA-RAY SOURCE; MOLECULAR CLOUDS; MAGIC TELESCOPE; SOURCE CATALOG; DARK-MATTER; CRAB-NEBULA; EMISSION; VARIABILITY; DISCOVERY AB The Galactic center is an interesting region for high-energy (0.1-100 GeV) and very-high-energy (E > 100 GeV) gamma-ray observations. Potential sources of GeV/TeV gamma-ray emission have been suggested, e.g., the accretion of matter onto the supermassive black hole, cosmic rays from a nearby supernova remnant (e.g., Sgr A East), particle acceleration in a plerion, or the annihilation of dark matter particles. The Galactic center has been detected by EGRET and by Fermi/LAT in the MeV/GeV energy band. At TeV energies, the Galactic center was detected with moderate significance by the CANGAROO and Whipple 10 m telescopes and with high significance by H.E.S.S., MAGIC, and VERITAS. We present the results from three years of VERITAS observations conducted at large zenith angles resulting in a detection of the Galactic center on the level of 18 standard deviations at energies above similar to 2.5 TeV. The energy spectrum is derived and is found to be compatible with hadronic, leptonic, and hybrid emission models discussed in the literature. Future, more detailed measurements of the high-energy cutoff and better constraints on the high-energy flux variability will help to refine and/or disentangle the individual models. C1 [Archer, A.; Beilicke, M.; Buckley, J. H.; Bugaev, V.; Chen, W.; Krawczynski, H.; Zajczyk, A.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Barnacka, A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Benbow, W.; Cerruti, M.; Galante, N.; Roache, E.] Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Observ, Amado, AZ 85645 USA. [Berger, K.; Holder, J.; Kumar, S.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Berger, K.; Holder, J.; Kumar, S.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bird, R.; Khassen, Y.; Pueschel, E.; Quinn, J.] Univ Coll Dublin, Sch Phys, Dublin, Ireland. [Biteau, J.; Furniss, A.; Johnson, C. A.; Williams, D. A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Biteau, J.; Furniss, A.; Johnson, C. A.; Williams, D. A.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Byrum, K.; Zitzer, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Cardenzana, J. V.; Dickinson, H. J.; Eisch, J. D.; Weinstein, A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Chen, X.; Federici, S.; Hakansson, N.; Pohl, M.; Telezhinsky, I.; Wilhelm, A.] Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam, Germany. [Chen, X.; Federici, S.; Fleischhack, H.; Hughes, G.; Maier, G.; de Bhroithe, A. O'Faolain; Pohl, M.; Prokoph, H.; Telezhinsky, I.; Vincent, S.; Welsing, R.; Wilhelm, A.] DESY, D-15738 Zeuthen, Germany. [Ciupik, L.; Grube, J.; Gyuk, G.] Adler Planetarium & Astron Museum, Dept Astron, Chicago, IL 60605 USA. [Connolly, M. P.; Lang, M. J.; Moriarty, P.] Natl Univ Ireland Galway, Sch Phys, Galway, Ireland. [Cui, W.; Feng, Q.; Finley, J. P.; Sembroski, G. H.; Tucci, J. V.; Varlotta, A.] Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA. [Dumm, J.; Fortson, L.; Shahinyan, K.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Falcone, A.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Griffin, S.; Hanna, D.; Ragan, K.; Rajotte, J.; Staszak, D.; Tyler, J.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Griffiths, S. T.; Kaaret, P.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Kar, P.; Kieda, D.; Smith, A. W.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Kertzman, M.] Depauw Univ, Dept Phys & Astron, Greencastle, IN 46135 USA. [McArthur, S.; Park, N.; Wakely, S. P.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [McCann, A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Meagher, K.; Otte, A. N.; Richards, G. T.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Meagher, K.; Otte, A. N.; Richards, G. T.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Moriarty, P.] Galway Mayo Inst Technol, Dept Life & Phys Sci, Galway, Ireland. [Mukherjee, R.] Columbia Univ Barnard Coll, Dept Phys & Astron, New York, NY 10027 USA. [Nieto, D.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Ong, R. A.; Popkow, A.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Perkins, J. S.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Reyes, L. C.] Calif Polytech State Univ San Luis Obispo, Dept Phys, San Luis Obispo, CA 94307 USA. [Reynolds, P. T.] Cork Inst Technol, Dept Appl Phys & Instrumentat, Bishopstown, Cork, Ireland. RP Archer, A (reprint author), Washington Univ, Dept Phys, St Louis, MO 63130 USA. EM beilicke@physics.wustl.edu RI Khassen, Yerbol/I-3806-2015; Nieto, Daniel/J-7250-2015; OI Khassen, Yerbol/0000-0002-7296-3100; Nieto, Daniel/0000-0003-3343-0755; Pueschel, Elisa/0000-0002-0529-1973; Cui, Wei/0000-0002-6324-5772; Barnacka, Anna/0000-0001-5655-4158; Lang, Mark/0000-0003-4641-4201; Bird, Ralph/0000-0002-4596-8563 FU U.S. Department of Energy Office of Science; U.S. National Science Foundation; Smithsonian Institution; NSERC in Canada; Science Foundation Ireland [SFI 10/RFP/AST2748]; STFC in the UK FX This research is supported by grants from the U.S. Department of Energy Office of Science, the U.S. National Science Foundation, and the Smithsonian Institution, by NSERC in Canada, by Science Foundation Ireland (SFI 10/RFP/AST2748) and by STFC in the UK. We acknowledge the excellent work of the technical support staff at the Fred Lawrence Whipple Observatory and at the collaborating institutions in the construction and operation of the instrument. NR 61 TC 6 Z9 6 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2014 VL 790 IS 2 AR 149 DI 10.1088/0004-637X/790/2/149 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL4PV UT WOS:000339115800066 ER PT J AU Chen, JC Wang, XF Ganeshalingam, M Silverman, JM Filippenko, AV Li, WD Chornock, R Li, JZ Steele, T AF Chen, Juncheng Wang, Xiaofeng Ganeshalingam, Mohan Silverman, Jeffrey M. Filippenko, Alexei V. Li, Weidong Chornock, Ryan Li, Junzheng Steele, Thea TI OPTICAL OBSERVATIONS OF THE TYPE Ic SUPERNOVA 2007gr IN NGC 1058 SO ASTROPHYSICAL JOURNAL LA English DT Article DE supernovae: general; supernovae: individual (SN 2007gr) ID CORE-COLLAPSE SUPERNOVAE; IA SUPERNOVAE; LIGHT CURVES; SN 2007GR; X-RAY; SPECTRAL EVOLUTION; UBVRI PHOTOMETRY; TRANSIENT 080109; LINE-PROFILES; SPECTROSCOPY AB We present extensive optical observations of the normal Type Ic supernova (SN) 2007gr, spanning from about one week before maximum light to more than one year thereafter. The optical light and color curves of SN 2007gr are very similar to those of the broad-lined Type Ic SN 2002ap, but the spectra show remarkable differences. The optical spectra of SN 2007gr are characterized by unusually narrow lines, prominent carbon lines, and slow evolution of the line velocity after maximum light. The earliest spectrum (taken at t = -8 days) shows a possible signature of helium (He I lambda 5876 at a velocity of similar to 19,000 km s(-1)). Moreover, the larger intensity ratio of the [O I] lambda 6300 and lambda 6364 lines inferred from the early nebular spectra implies a lower opacity of the ejecta shortly after the explosion. These results indicate that SN 2007gr perhaps underwent a less energetic explosion of a smaller-mass Wolf-Rayet star (similar to 8-9 M-circle dot) in a binary system, as favored by an analysis of the progenitor environment through pre-explosion and post-explosion Hubble Space Telescope images. In the nebular spectra, asymmetric double-peaked profiles can be seen in the [O I] lambda 6300 and Mg I] lambda 4571 lines. We suggest that the two peaks are contributed by the blueshifted and rest-frame components. The similarity in velocity structure and the different evolution of the strength of the two components favor an aspherical explosion with the ejecta distributed in a torus or disk-like geometry, but inside the ejecta the O and Mg have different distributions. C1 [Chen, Juncheng; Wang, Xiaofeng; Li, Junzheng] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Chen, Juncheng; Wang, Xiaofeng; Li, Junzheng] Tsinghua Univ, Tsinghua Ctr Astrophys THCA, Beijing 100084, Peoples R China. [Ganeshalingam, Mohan; Silverman, Jeffrey M.; Filippenko, Alexei V.; Li, Weidong; Chornock, Ryan; Steele, Thea] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Ganeshalingam, Mohan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Silverman, Jeffrey M.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Chornock, Ryan] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. RP Chen, JC (reprint author), Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. EM cjc09@mails.tsinghua.edu.cn; wang_xf@mail.tsinghua.edu.cn RI Wang, Xiaofeng/J-5390-2015 FU Major State Basic Research Development Program [2013CB834903]; National Natural Science Foundation of China (NSFC) [11073013, 11178003, 11325313]; Foundation of Tsinghua University [2011Z02170]; NSF [AST-1211916]; TABASGO Foundation; Christopher R. Redlich Fund; NASA through Space Telescope Science Institute [GO-10877, AR-12623]; NASA [NAS 5-26555]; NSF Astronomy and Astrophysics Postdoctoral Fellowship [AST-1302771]; W. M. Keck Foundation FX We are grateful to the anonymous referee for constructive suggestions that helped improve the paper. We thank the NAOC, Lick, and Keck Observatory staffs, as well as Maryam Modjaz and Ryan Foley for their assistance with the observations. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA; the observatory was made possible by the generous financial support of the W. M. Keck Foundation. This work is supported by the Major State Basic Research Development Program (2013CB834903), National Natural Science Foundation of China (NSFC grants 11073013, 11178003, 11325313), and the Foundation of Tsinghua University (2011Z02170). A. V.F.'s group at UC Berkeley is grateful for financial assistance from NSF grant AST-1211916, the TABASGO Foundation, and the Christopher R. Redlich Fund. This work was also supported by NASA through grants GO-10877 and AR-12623 from the Space Telescope Science Institute, which is operated by the Associated Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. J. M. Silverman is supported by an NSF Astronomy and Astrophysics Postdoctoral Fellowship under award AST-1302771. NR 75 TC 6 Z9 6 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2014 VL 790 IS 2 AR 120 DI 10.1088/0004-637X/790/2/120 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL4PV UT WOS:000339115800037 ER PT J AU Chen, KJ Heger, A Woosley, S Almgren, A Whalen, DJ Johnson, JL AF Chen, Ke-Jung Heger, Alexander Woosley, Stan Almgren, Ann Whalen, Daniel J. Johnson, Jarrett L. TI THE GENERAL RELATIVISTIC INSTABILITY SUPERNOVA OF A SUPERMASSIVE POPULATION III STAR SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: theory; early universe; galaxies: formation; galaxies: high-redshift; hydrodynamics; quasars: supermassive black holes; shock waves; stars: early-type; supernovae: general ID BLACK-HOLE FORMATION; DARK-MATTER HALOES; EQUATION-OF-STATE; 1ST STARS; GALACTIC NUCLEI; DIRECT COLLAPSE; GRAVITATIONAL COLLAPSE; Z-SIMILAR-TO-6 QUASARS; BIGGEST EXPLOSIONS; GALAXY PROPERTIES AB The formation of supermassive Population III stars with masses greater than or similar to 10,000 M-circle dot in primeval galaxies in strong ultraviolet backgrounds at z similar to 15 may be the most viable pathway to the formation of supermassive black holes by z similar to 7. Most of these stars are expected to live for short times and then directly collapse to black holes, with little or no mass loss over their lives. However, we have now discovered that non- rotating primordial stars with masses close to 55,000 M-circle dot can instead die as highly energetic thermonuclear supernovae powered by explosive helium burning, releasing up to 10(55) erg, or about 10,000 times the energy of a Type Ia supernova. The explosion is triggered by the general relativistic contribution of thermal photons to gravity in the core of the star, which causes the core to contract and explosively burn. The energy release completely unbinds the star, leaving no compact remnant, and about half of the mass of the star is ejected into the early cosmos in the form of heavy elements. The explosion would be visible in the near infrared at z less than or similar to 20 to Euclid and the Wide-Field Infrared Survey Telescope, perhaps signaling the birth of supermassive black hole seeds and the first quasars. C1 [Chen, Ke-Jung; Woosley, Stan] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Chen, Ke-Jung] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Heger, Alexander] Monash Univ, Monash Ctr Astrophys, Clayton, Vic 3800, Australia. [Almgren, Ann] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Whalen, Daniel J.] Los Alamos Natl Lab, T 2, Los Alamos, NM 87545 USA. [Whalen, Daniel J.] Heidelberg Univ, Zentrum Astron, Inst Theoret Astrophys, D-69120 Heidelberg, Germany. [Johnson, Jarrett L.] XTD PRI, Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chen, KJ (reprint author), Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. EM kchen@ucolick.org FU IAU Gruber Fellowship; Stanwood Johnston Fellowship; KITP Graduate Fellowship; Australian Research Council [ARC FT 120100363]; Baden-Wurttemberg-Stiftung [P-LS-SPII/18]; DOE [DE-SC0010676, DE-AC02-05CH11231, DE-GF02-87ER40328, DE-FC02-09ER41618]; NSF [AST-1109394, PHY02-16783]; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX The authors thank the anonymous referee for reviewing this manuscript and providing insightful comments, and the members of CCSE at LBNL for help with CASTRO. We also thank Volker Bromm, Dan Kasen, Lars Bildsten, John Bell, and Adam Burrows for many useful discussions. K. C. was supported by an IAU Gruber Fellowship, a Stanwood Johnston Fellowship, and a KITP Graduate Fellowship. A. H. was supported by a Future Fellowship from the Australian Research Council (ARC FT 120100363). D.J.W. was supported by the Baden-Wurttemberg-Stiftung by contract research under the programme Internationale Spitzenforschung II (grant P-LS-SPII/18). All numerical simulations were performed at the University of Minnesota Supercomputing Institute and the National Energy Research Scientific Computing Center. This work was supported by the DOE grants DE-SC0010676, DE-AC02-05CH11231, DE-GF02-87ER40328, and DE-FC02-09ER41618, and by NSF grants AST-1109394 and PHY02-16783. Work at LANL was done under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under contract No. DE-AC52-06NA25396. NR 79 TC 17 Z9 17 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2014 VL 790 IS 2 AR 162 DI 10.1088/0004-637X/790/2/162 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL4PV UT WOS:000339115800079 ER PT J AU Rangamani, P Benjamini, A Agrawal, A Smit, B Steigmann, DJ Oster, G AF Rangamani, Padmini Benjamini, Ayelet Agrawal, Ashutosh Smit, Berend Steigmann, David J. Oster, George TI Small scale membrane mechanics SO BIOMECHANICS AND MODELING IN MECHANOBIOLOGY LA English DT Article DE Membranes; Lipid bilayers; Curvature; Mathematical model ID DISSIPATIVE PARTICLE DYNAMICS; HYDROPHOBIC MISMATCH; TRANSMEMBRANE HELICES; CURVATURE ELASTICITY; PROTEIN INTERACTIONS; LIPID MONOLAYER; PHASE-DIAGRAM; TILT ANGLE; BILAYERS; FUSION AB Large scale changes to lipid bilayer shapes are well represented by the Helfrich model. However, there are membrane processes that take place at smaller length scales that this model cannot address. In this work, we present a one-dimensional continuum model that captures the mechanics of the lipid bilayer membrane at the length scale of the lipids themselves. The model is developed using the Cosserat theory of surfaces with lipid orientation, or 'tilt', as the fundamental degree of freedom. The Helfrich model can be recovered as a special case when the curvatures are small and the lipid tilt is everywhere zero. We use the tilt model to study local membrane deformations in response to a protein inclusion. Parameter estimates and boundary conditions are obtained from a coarse-grained molecular model using dissipative particle dynamics (DPD) to capture the same phenomenon. The continuum model is able to reproduce the membrane bending, stretch and lipid tilt as seen in the DPD model. The lipid tilt angle relaxes to the bulk tilt angle within 5-6 nm from the protein inclusion. Importantly, for large tilt gradients induced by the proteins, the tilt energy contribution is larger than the bending energy contribution. Thus, the continuum model of tilt accurately captures behaviors at length scales shorter than the membrane thickness. C1 [Rangamani, Padmini; Oster, George] Univ Calif Berkeley, Dept Mol & Cellular Biol, Berkeley, CA 94720 USA. [Benjamini, Ayelet; Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Agrawal, Ashutosh] Univ Houston, Dept Mech Engn, Houston, TX 77204 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Steigmann, David J.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Steigmann, DJ (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM steigman@me.berkeley.edu; goster@berkeley.edu RI Smit, Berend/B-7580-2009 OI Smit, Berend/0000-0003-4653-8562 FU NIH [1R01GM104979-01]; Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Dr. Kranthi Kiran Mandadapu and Shachi Katira for many stimulating discussions. This work was funded in part by NIH 1R01GM104979-01 awarded to G.O. A.B. was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 54 TC 7 Z9 7 U1 2 U2 30 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1617-7959 EI 1617-7940 J9 BIOMECH MODEL MECHAN JI Biomech. Model. Mechanobiol. PD AUG PY 2014 VL 13 IS 4 BP 697 EP 711 DI 10.1007/s10237-013-0528-6 PG 15 WC Biophysics; Engineering, Biomedical SC Biophysics; Engineering GA AL5EN UT WOS:000339156400001 PM 24081650 ER PT J AU Freed, AD Liao, J Einstein, DR AF Freed, A. D. Liao, J. Einstein, D. R. TI A membrane model from implicit elasticity theory: application to visceral pleura SO BIOMECHANICS AND MODELING IN MECHANOBIOLOGY LA English DT Article DE Biot stress; Biot strain; Deviatoric stress; Distortional strain; Finite deformation; Proportional loading; Tangent moduli ID LEAFLET; STRESS; STRAIN AB A Fungean solid is derived for membranous materials as a body defined by isotropic response functions whose mathematical structure is that of a Hookean solid where the elastic constants are replaced by functions of state derived from an implicit, thermodynamic, internal energy function. The theory utilizes Biot's (Lond Edinb Dublin Philos Mag J Sci 27:468-489, 1939) definitions for stress and strain that, in one-dimension, are the stress/strain measures adopted by Fung (Am J Physiol 28:1532-1544, 1967) when he postulated what is now known as Fung's law. Our Fungean membrane model is parameterized against a biaxial data set acquired from a porcine pleural membrane subjected to three, sequential, proportional, planar extensions. These data support an isotropic/deviatoric split in the stress and strain-rate hypothesized by our theory. These data also demonstrate that the material response is highly nonlinear but, otherwise, mechanically isotropic. These data are described reasonably well by our otherwise simple, four-parameter, material model. C1 [Freed, A. D.] Saginaw Valley State Univ, Dept Mech Engn, University Ctr, MI 48710 USA. [Liao, J.] Mississippi State Univ, Tissue Bioengn Lab, Dept Agr & Biol Engn, Mississippi State, MS 39762 USA. [Einstein, D. R.] Pacific NW Natl Lab, Olympia, WA 98502 USA. RP Freed, AD (reprint author), Saginaw Valley State Univ, Dept Mech Engn, 202 Pioneer Hall,7400 Bay Rd, University Ctr, MI 48710 USA. EM adfreed@svsu.edu; jliao@abe.msstate.edu; daniel.einstein@pnnl.gov OI Freed, Alan/0000-0002-3492-0628 FU NHLBI NIH HHS [R01 HL073598, R15 HL097321] NR 22 TC 5 Z9 5 U1 1 U2 9 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1617-7959 EI 1617-7940 J9 BIOMECH MODEL MECHAN JI Biomech. Model. Mechanobiol. PD AUG PY 2014 VL 13 IS 4 BP 871 EP 881 DI 10.1007/s10237-013-0542-8 PG 11 WC Biophysics; Engineering, Biomedical SC Biophysics; Engineering GA AL5EN UT WOS:000339156400014 PM 24282079 ER PT J AU Samsonidze, G Cohen, ML Louie, SG AF Samsonidze, Georgy Cohen, Marvin L. Louie, Steven G. TI First-principles study of quasiparticle energies of a bipolar molecule in a scanning tunneling microscope measurement SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Bipolar molecule; Quasiparticle band gap; GW approximation; Image charge model; Scanning tunneling spectroscopy ID PSEUDOPOTENTIALS; SURFACES AB Quasiparticle energies of a bipolar molecule, bithiophene naphthalene diimide (BND), on a substrate under conditions in typical scanning tunneling microscopy (STM) measurements are computed within the GW approximation. The calculated HOMO-LUMO gap is compared with the value determined from the dI/dV spectra of STM experiments. Electron screening from the substrate and STM tip are included within an image charge framework. It is shown that the influence of a metallic substrate is strongly modified by an atomically thin dielectric film and that the presence of the STM tip gives a non-negligible contribution to the quasiparticle energies. Quantitative agreement with experiment is achieved after taking into account the aforementioned effects. (C) 2014 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Samsonidze, G (reprint author), Robert Bosch LLC, Res & Technol Ctr, Cambridge, MA 02142 USA. EM georgy.samsonidze@gmail.com RI Samsonidze, Georgy/G-3613-2016 OI Samsonidze, Georgy/0000-0002-3759-1794 FU National Science Foundation [DMR10-1006184]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy [DE-AC02-05CH11231] FX The authors appreciate helpful discussions with Prof. Michael Crommie and Prof. Chenggang Tao. We acknowledge support from National Science Foundation Grant No. DMR10-1006184 [theoretical analyses, codes on modeling and computational resources] and from the Nanomachines Program at the Lawrence Berkeley National Lab supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy under Contract No. DE-AC02-05CH11231 [GS, codes for numerical simulations and computational resources]. Computational resources have been provided by NSF through TeraGrid resources at NICS and by DOE at Lawrence Berkeley National Laboratory's NERSC facility. NR 18 TC 2 Z9 2 U1 2 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD AUG PY 2014 VL 91 BP 187 EP 191 DI 10.1016/j.commatsci.2014.04.049 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA AL4UA UT WOS:000339129100024 ER PT J AU Bolnick, DI Snowberg, LK Hirsch, PE Lauber, CL Knight, R Caporaso, JG Svanback, R AF Bolnick, Daniel I. Snowberg, Lisa K. Hirsch, Philipp E. Lauber, Christian L. Knight, Rob Caporaso, J. Gregory Svanback, Richard TI Individuals' diet diversity influences gut microbial diversity in two freshwater fish (threespine stickleback and Eurasian perch) SO ECOLOGY LETTERS LA English DT Article DE Diet mixing; Gasterosteus aculeatus; generalist; individual specialisation; microbiota; Perca fluviatilis; perch; stable isotopes; threespine stickleback ID INTESTINAL MICROBIOTA; BACTERIAL COMMUNITIES; DISRUPTIVE SELECTION; TROPHIC POSITION; STABLE-ISOTOPES; ECOLOGY; SPECIALIZATION; POPULATION; PATTERNS; OBESITY AB Vertebrates' diets profoundly influence the composition of symbiotic gut microbial communities. Studies documenting diet-microbiota associations typically focus on univariate or categorical diet variables. However, in nature individuals often consume diverse combinations of foods. If diet components act independently, each providing distinct microbial colonists or nutrients, we expect a positive relationship between diet diversity and microbial diversity. We tested this prediction within each of two fish species (stickleback and perch), in which individuals vary in their propensity to eat littoral or pelagic invertebrates or mixtures of both prey. Unexpectedly, in most cases individuals with more generalised diets had less diverse microbiota than dietary specialists, in both natural and laboratory populations. This negative association between diet diversity and microbial diversity was small but significant, and most apparent after accounting for complex interactions between sex, size and diet. Our results suggest that multiple diet components can interact non-additively to influence gut microbial diversity. C1 [Bolnick, Daniel I.] Univ Texas Austin, Howard Hughes Med Inst, Austin, TX 78712 USA. [Bolnick, Daniel I.; Snowberg, Lisa K.] Univ Texas Austin, Sect Integrat Biol, Austin, TX 78712 USA. [Hirsch, Philipp E.] Univ Basel, Program Man Soci Environm, CH-4051 Basel, Switzerland. [Hirsch, Philipp E.; Svanback, Richard] Uppsala Univ, Dept Ecol & Genet, SE-75236 Uppsala, Sweden. [Lauber, Christian L.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA. [Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Knight, Rob] Univ Colorado, BioFrontiers Inst, Boulder, CO 80309 USA. [Caporaso, J. Gregory] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. [Caporaso, J. Gregory] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. RP Bolnick, DI (reprint author), Univ Texas Austin, Howard Hughes Med Inst, Austin, TX 78712 USA. EM danbolnick@austin.utexas.edu RI Hirsch, Philipp/F-4895-2012; Bolnick, Daniel/G-4440-2015; Knight, Rob/D-1299-2010 OI Bolnick, Daniel/0000-0003-3148-6296; FU Howard Hughes Medical Institute; David and Lucille Packard Foundation; Swedish Research Council FX We thank M. Araujo, D. Cayon, E. Geibrink, J. Malmberg, W. Stutz for field work, Xinmei Feng for lab work, Donna Berg-Lyons and Scott Hunicke-Smith for sequencing and D. Schluter, D. Rennison and anonymous referees for comments. Work was carried out with permission of the British Columbia Ministry of Forest, Lands, and Natural Resource Operations, and Institutional Animal Care and Use Committee approval from UT Austin. The data presented here can be accessed via the QIIME database. This research was funded by the Howard Hughes Medical Institute (DIB, RK), the David and Lucille Packard Foundation (DIB) and the Swedish Research Council (RS). NR 50 TC 27 Z9 27 U1 9 U2 93 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1461-023X EI 1461-0248 J9 ECOL LETT JI Ecol. Lett. PD AUG PY 2014 VL 17 IS 8 BP 979 EP 987 DI 10.1111/ele.12301 PG 9 WC Ecology SC Environmental Sciences & Ecology GA AL4KF UT WOS:000339101100010 PM 24847735 ER PT J AU Villarrubia, CWN Lau, C Ciniciato, GPMK Garcia, SO Sibbett, SS Petsev, DN Babanova, S Gupta, G Atanassov, P AF Villarrubia, Claudia W. Narvaez Lau, Carolin Ciniciato, Gustavo P. M. K. Garcia, Sergio O. Sibbett, Scott S. Petsev, Dimiter N. Babanova, Sofia Gupta, Gautam Atanassov, Plamen TI Practical electricity generation from a paper based biofuel cell powered by glucose in ubiquitous liquids SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Enzyme; Bioelectrodes; Enzymatic biofuel cells; Microfluidic system; Capillary driven flow; Bucky paper ID ELECTROPOLYMERIZED AZINES; BILIRUBIN OXIDASE; METHYLENE GREEN; PART II; ELECTRODES; OXIDATION; NADH; FLOW AB This paper introduces a novel enzymatic fuel cell design that employs cellulose paper-based quasi-2D microfluidic system to supply biofuel to the enzymatic layer. The state of the art nanoarchitectural design, employing carbon nanotube-based papers for the bioelectrodes, allows a single cell to maintain 400 mV for 16 days of continuous operation in glucose solution and reach 1 mA of current output. Stacks of cells connected in series show successful performance using glucose in Gatorade (R) resulting in stack-cell potential of 1.8 V, employed to power a digital clock for 36 h, continuously. These designs open the possibility for obtaining enzymatic fuel cells that can run small portable devices on easily available ubiquitous liquids while addressing environmental concerns that are prevalent in traditional fuel cells. (C) 2014 Elsevier B.V. All rights reserved. C1 [Villarrubia, Claudia W. Narvaez; Lau, Carolin; Ciniciato, Gustavo P. M. K.; Garcia, Sergio O.; Babanova, Sofia; Atanassov, Plamen] Univ New Mexico, Dept Chem & Nucl Engn, Ctr Emerging Energy Technol, Albuquerque, NM 87101 USA. [Villarrubia, Claudia W. Narvaez; Sibbett, Scott S.; Petsev, Dimiter N.] Univ New Mexico, Dept Chem & Nucl Engn, Ctr Biomed Engn, Albuquerque, NM 87131 USA. [Gupta, Gautam] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Gupta, Gautam] Los Alamos Natl Lab, MPA 11, Los Alamos, NM 87545 USA. [Ciniciato, Gustavo P. M. K.] Inst Quim Sao Carlos, Sao Carlos, SP, Brazil. RP Atanassov, P (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, MSC01 1120,Farris Engn Ctr 247,1 Univ New Mexico, Albuquerque, NM 87101 USA. EM plamen@unm.edu FU AFOSR Bioenergy Program [FA9550-12-1-0112]; NSF-CBET [1158936]; NMSBA FX The authors thank Dr. Rosalba Rincon for supporting technical drawings. This work was supported at UNM by the AFOSR Bioenergy Program grant number FA9550-12-1-0112 and NSF-CBET grant number 1158936 and at LANL by NMSBA. NR 28 TC 18 Z9 18 U1 6 U2 42 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 EI 1873-1902 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD AUG PY 2014 VL 45 BP 44 EP 47 DI 10.1016/j.elecom.2014.05.010 PG 4 WC Electrochemistry SC Electrochemistry GA AL3NP UT WOS:000339035700011 ER PT J AU Xia, JJ Hong, TZ Shen, Q Feng, W Yang, L Im, P Lu, A Bhandari, M AF Xia, Jianjun Hong, Tianzhen Shen, Qi Feng, Wei Yang, Le Im, Piljae Lu, Alison Bhandari, Mahabir TI Comparison of building energy use data between the United States and China SO ENERGY AND BUILDINGS LA English DT Article DE Buildings; Comparison; Data analysis; Data model; Energy benchmarking; Energy monitoring system; Energy use; Retrofit AB Buildings in the United States and China consumed 41% and 28% of the total primary energy in 2011, respectively. Good energy data are the cornerstone to understanding building energy performance and supporting research, design, operation, and policy making for low energy buildings. This paper presents initial outcomes from a joint research project under the U.S.-China Clean Energy Research Center for Building Energy Efficiency. The goal is to decode the driving forces behind the discrepancy of building energy use between the two countries; identify gaps and deficiencies of current building energy monitoring, data collection, and analysis; and create knowledge and tools to collect and analyze good building energy data to provide valuable and actionable information for key stakeholders. This paper first reviews and compares several popular existing building energy monitoring systems in both countries. Next a standard energy data model is presented. A detailed, measured building energy data comparison was conducted for a few office buildings in both countries. Finally issues of data collection, quality, sharing, and analysis methods are discussed. It was found that buildings in both countries performed very differently, had potential for deep energy retrofit, but that different efficiency measures should apply. (C) 2014 Elsevier B.V. All rights reserved. C1 [Xia, Jianjun; Shen, Qi; Yang, Le] Tsinghua Univ, Dept Bldg Sci, Beijing 100084, Peoples R China. [Hong, Tianzhen; Feng, Wei; Lu, Alison] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Im, Piljae; Bhandari, Mahabir] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Hong, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM xiajianjun@tsinghua.edu.cn; thong@lbl.gov; sqbeengineer@gmail.com; weifeng@lbl.gov; yljjw_911@126.com; imp1@ornl.gov; alisonlu007@gmail.com; bhandarims@ornl.gov OI Bhandari, Mahabir/0000-0003-1951-9876 FU U.S. Department of Energy [DE-AC02-05CH11231]; China Ministry of Housing and Urban-Rural Development and Ministry of Science & Technology under the U.S.-China Clean Energy Research Center for Building Energy Efficiency [2010DFA72740-02] FX This work was supported by the U.S. Department of Energy (Contract No. DE-AC02-05CH11231) and China Ministry of Housing and Urban-Rural Development and Ministry of Science & Technology (Grant No. 2010DFA72740-02) under the U.S.-China Clean Energy Research Center for Building Energy Efficiency. The authors appreciate the building owners and facility managers for providing building data and related information. NR 23 TC 11 Z9 11 U1 2 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 EI 1872-6178 J9 ENERG BUILDINGS JI Energy Build. PD AUG PY 2014 VL 78 BP 165 EP 175 DI 10.1016/j.enbuild.2014.04.031 PG 11 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA AL4VP UT WOS:000339133200019 ER PT J AU Huang, EL Aylward, FO Kim, YM Webb-Robertson, BJM Nicora, CD Hu, ZP Metz, TO Lipton, MS Smith, RD Currie, CR Burnum-Johnson, KE AF Huang, Eric L. Aylward, Frank O. Kim, Young-Mo Webb-Robertson, Bobbie-Jo M. Nicora, Carrie D. Hu, Zeping Metz, Thomas O. Lipton, Mary S. Smith, Richard D. Currie, Cameron R. Burnum-Johnson, Kristin E. TI The fungus gardens of leaf-cutter ants undergo a distinct physiological transition during biomass degradation SO ENVIRONMENTAL MICROBIOLOGY REPORTS LA English DT Article ID CUTTING ANTS; GROWING ANTS; DATABASE; ENZYMES; GC/MS AB Leaf-cutter ants are dominant herbivores in ecosystems throughout the Neotropics that feed on fungus gardens cultivated on fresh foliar biomass. Although recent investigations have shed light on how plant biomass is degraded in fungus gardens, the cycling of nutrients that takes place in these specialized microbial ecosystems is still not well understood. Here, using metabolomic and metaproteomic techniques, we examine the dynamics of nutrient turnover in these gardens. Our results reveal that numerous free amino acids and sugars are depleted throughout the process of biomass degradation, indicating that easily accessible nutrients from plant material are readily consumed by microbes in these ecosystems. Accumulation of cellobiose and lignin derivatives near the end of the degradation process is consistent with previous characterization of lignocellulases produced by the fungal cultivar of the ants. Our results also suggest that ureides may be an important source of nitrogen in fungus gardens, especially during nitrogen-limiting conditions. No free arginine was detected in our metabolomic experiments despite evidence that the host ants cannot produce this amino acid, suggesting that biosynthesis of this metabolite may be tightly regulated in fungus gardens. These results provide new insights into microbial community-level processes that underlie this important ant-fungus symbiosis. C1 [Huang, Eric L.; Kim, Young-Mo; Webb-Robertson, Bobbie-Jo M.; Nicora, Carrie D.; Hu, Zeping; Metz, Thomas O.; Lipton, Mary S.; Smith, Richard D.; Burnum-Johnson, Kristin E.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Aylward, Frank O.; Currie, Cameron R.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Aylward, Frank O.; Currie, Cameron R.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI USA. RP Burnum-Johnson, KE (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM kristin.burnum-johnson@pnnl.gov RI Smith, Richard/J-3664-2012; Burnum, Kristin/B-1308-2011; Kim, Young-Mo/D-3282-2009; Hu, Zeping/F-6205-2010; Lipton, Mary/H-3913-2012; OI Smith, Richard/0000-0002-2381-2349; Burnum, Kristin/0000-0002-2722-4149; Kim, Young-Mo/0000-0002-8972-7593; Metz, Tom/0000-0001-6049-3968 FU US Department of Energy's (DOE), Office of Biological and Environmental Research (OBER), Pan-omics Program at Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494] FX Metabolomic and metaproteomic measurements were supported by the US Department of Energy's (DOE), Office of Biological and Environmental Research (OBER), Pan-omics Program at Pacific Northwest National Laboratory (PNNL), and performed in the Environmental Molecular Sciences Laboratory, a DOE OBER national scientific user facility on the PNNL campus. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RL01830. This work was also supported by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). The authors declare no conflict of interest. We thank Paul J. Weimer for helpful discussion and two anonymous reviewers for their helpful suggestions. NR 32 TC 6 Z9 6 U1 5 U2 82 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1758-2229 J9 ENV MICROBIOL REP JI Environ. Microbiol. Rep. PD AUG PY 2014 VL 6 IS 4 SI SI BP 389 EP 395 DI 10.1111/1758-2229.12163 PG 7 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA AL7SG UT WOS:000339334700010 PM 24992538 ER PT J AU Khaw, BA Gada, KS Patil, V Panwar, R Mandapati, S Hatefi, A Majewski, S Weisenberger, A AF Khaw, Ban-An Gada, Keyur S. Patil, Vishwesh Panwar, Rajiv Mandapati, Savitri Hatefi, Arash Majewski, Stan Weisenberger, Andrew TI Bispecific antibody complex pre-targeting and targeted delivery of polymer drug conjugates for imaging and therapy in dual human mammary cancer xenografts SO EUROPEAN JOURNAL OF NUCLEAR MEDICINE AND MOLECULAR IMAGING LA English DT Article DE HER2/neu; Doxorubicin; Bispecific-antibody; Polymer drug conjugates; Affibody ID IN-VITRO; DOXORUBICIN; MICE; TOXICITY; PROTEINS; AFFINITY; PEPTIDE; LESIONS; HAPTEN; MURINE AB Introduction Doxorubicin, a frontline chemotherapeutic agent, limited by its cardiotoxicity and other tissue toxicities, was conjugated to N-terminal DTPA-modified polyglutamic acid (D-Dox-PGA) to produce polymer pro-drug conjugates. D-Dox-PGA or Tc-99 m labeled DTPA-succinyl-polylysine polymers (DSPL) were targeted to HER2-positive human mammary carcinoma (BT-474) in a double xenografted SCID mouse model also hosting HER2-negative human mammary carcinoma (BT-20). Methods After pretargeting with bispecific anti-HER2-affibody-anti-DTPA-Fab complexes (BAAC), anti-DTPA-Fab or only phosphate buffered saline, D-Dox-PGA or Tc-99 m DSPL were administered. Positive therapeutic control mice were injected with Dox alone at maximum tolerated dose (MTD). Results Only BT-474 lesions were visualized by gamma imaging with Tc-99 m-DSPL; BT-20 lesions were not. Therapeutic efficacy was equivalent in mice pretargeted with BAAC/targeted with D-Dox-PGA to mice treated only with doxorubicin. There was no total body weight (TBW) loss at three times the doxorubicin equivalent MTD with D-Dox-PGA, whereas mice treated with doxorubicin lost 10 % of TBW at 2 weeks and 16 % after the second MTD injection leading to death of all mice. Conclusions Our cancer imaging and pretargeted therapeutic approaches are highly target specific, delivering very high specific activity reagents that may result in the development of a novel theranostic application. HER/2 neu specific affibody-anti-DTPA-Fab bispecific antibody pretargeting of HER2 positive human mammary xenografts enabled exquisite targeting of polymers loaded with radioisotopes for molecular imaging and doxorubicin for effective therapy without the associating non-tumor normal tissue toxicities. C1 [Khaw, Ban-An; Gada, Keyur S.; Patil, Vishwesh; Panwar, Rajiv; Mandapati, Savitri] Northeastern Univ, Dept Pharmaceut Sci, Bouve Coll Hlth Sci, Sch Pharm, Boston, MA 02115 USA. [Hatefi, Arash] Rutgers State Univ, Dept Pharmaceut, New Brunswick, NJ 08903 USA. [Majewski, Stan] W Virginia Univ, Dept Radiol, Morgantown, WV 26506 USA. [Weisenberger, Andrew] Thomas Jefferson Natl Accelerator Facil, Jefferson Lab, Newport News, VA 23606 USA. RP Khaw, BA (reprint author), Northeastern Univ, Dept Pharmaceut Sci, Bouve Coll Hlth Sci, Sch Pharm, 140 Fenway,Rm X138,130 Huntington Ave, Boston, MA 02115 USA. EM b.khaw@neu.edu; ahatefi@pharmacy.rutgers.edu; stan.majewski@gmail.com; drew@jlab.org FU Gwathmey Inc.; Discretionary account of Dr. Khaw's laboratory FX Partial support from unrestricted grant from Gwathmey Inc., and Discretionary account of Dr. Khaw's laboratory. NR 33 TC 6 Z9 6 U1 2 U2 32 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1619-7070 EI 1619-7089 J9 EUR J NUCL MED MOL I JI Eur. J. Nucl. Med. Mol. Imaging PD AUG PY 2014 VL 41 IS 8 BP 1603 EP 1616 DI 10.1007/s00259-014-2738-2 PG 14 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AL7SB UT WOS:000339334000016 PM 24643779 ER PT J AU Richter, FM Watson, EB Chaussidon, M Mendybaev, R Christensen, JN Qiu, L AF Richter, Frank M. Watson, E. Bruce Chaussidon, Marc Mendybaev, Ruslan Christensen, John N. Qiu, Lin TI Isotope fractionation of Li and K in silicate liquids by Soret diffusion SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID THERMAL-DIFFUSION; CHEMICAL DIFFUSION; MELTS; WATER AB Laboratory experiments were used to determine the thermal (Soret) isotopic fractionation of lithium and potassium in a basalt melt, which adds elements with ionic charge +1 to the list of elements for which thermal isotopic fractionations in silicate liquids have been previously reported (i.e., Ca, Mg, Fe, Si, O, Sr, Hf, and U). The new experiments were run at a moderate pressure of about 1.5 GPa in a piston cylinder apparatus in order to avoid gas bubbles once the sample was melted. The samples were displaced slightly below the hot spot of the piston cylinder assembly graphite furnace so that there would be a temperature difference of about 125 degrees C across the samples while molten. The thermal isotopic fractionation factor X (per mil fractionation per 100 degrees C per one atomic mass unit difference) was found to be 6.0 for lithium isotopes and 1.1 for potassium isotopes. The isotopic fractionation in both cases resulted in the heavy isotopes becoming enriched at the cold end. The expanded data set of thermal isotopic fractionation in silicate liquids is used to evaluate the degree to which recently proposed parameterizations are able to reproduce the experimental data. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Richter, Frank M.; Mendybaev, Ruslan] Univ Chicago, Chicago, IL 60637 USA. [Watson, E. Bruce] Rensselaer Polytech Inst, Troy, NY USA. [Chaussidon, Marc] Ctr Rech Petrog & Geochim, Nancy, France. [Christensen, John N.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Qiu, Lin] Univ Maryland, College Pk, MD 20742 USA. RP Richter, FM (reprint author), Univ Chicago, Chicago, IL 60637 USA. EM richter@geosci.uchicago.edu RI Christensen, John/D-1475-2015; Chaussidon, Marc/E-7067-2017 FU Department of Energy [DE-FG02-01ER15254]; NSF [EAR-0738843]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The work reported was supported by a Department of Energy grant DE-FG02-01ER15254 to FMR and NSF grant EAR-0738843 to EBW. Support for JNC in this research was provided by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 to Lawrence Berkeley National Laboratory. NR 36 TC 8 Z9 9 U1 4 U2 58 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD AUG 1 PY 2014 VL 138 BP 136 EP 145 DI 10.1016/j.gca.2014.04.012 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AL5LN UT WOS:000339175300008 ER PT J AU Talhelm, AF Pregitzer, KS Kubiske, ME Zak, DR Campany, CE Burton, AJ Dickson, RE Hendrey, GR Isebrands, JG Lewin, KF Nagy, J Karnosky, DF AF Talhelm, Alan F. Pregitzer, Kurt S. Kubiske, Mark E. Zak, Donald R. Campany, Courtney E. Burton, Andrew J. Dickson, Richard E. Hendrey, George R. Isebrands, J. G. Lewin, Keith F. Nagy, John Karnosky, David F. TI Elevated carbon dioxide and ozone alter productivity and ecosystem carbon content in northern temperate forests SO GLOBAL CHANGE BIOLOGY LA English DT Article DE air pollution; carbon sequestration; carbon storage; elevated carbon dioxide (CO2); free-air CO2 enrichment (FACE); net primary productivity (NPP); nitrogen; soil carbon ID ATMOSPHERIC CO2 ENRICHMENT; NET PRIMARY PRODUCTIVITY; FREE-AIR FUMIGATION; FINE-ROOT TURNOVER; LONG-TERM EXPOSURE; TROPOSPHERIC O-3; SOIL CARBON; CLIMATE-CHANGE; COMMUNITY COMPOSITION; HARDWOOD FORESTS AB Three young northern temperate forest communities in the north-central United States were exposed to factorial combinations of elevated carbon dioxide (CO2) and tropospheric ozone (O-3) for 11 years. Here, we report results from an extensive sampling of plant biomass and soil conducted at the conclusion of the experiment that enabled us to estimate ecosystem carbon (C) content and cumulative net primary productivity (NPP). Elevated CO2 enhanced ecosystem C content by 11%, whereas elevated O-3 decreased ecosystem C content by 9%. There was little variation in treatment effects on C content across communities and no meaningful interactions between CO2 and O-3. Treatment effects on ecosystem C content resulted primarily from changes in the near-surface mineral soil and tree C, particularly differences in woody tissues. Excluding the mineral soil, cumulative NPP was a strong predictor of ecosystem C content (r(2) = 0.96). Elevated CO2 enhanced cumulative NPP by 39%, a consequence of a 28% increase in canopy nitrogen (N) content (g N m(-2)) and a 28% increase in N productivity (NPP/canopy N). In contrast, elevated O-3 lowered NPP by 10% because of a 21% decrease in canopy N, but did not impact N productivity. Consequently, as the marginal impact of canopy N on NPP (Delta NPP/Delta N) decreased through time with further canopy development, the O-3 effect on NPP dissipated. Within the mineral soil, there was less C in the top 0.1 m of soil under elevated O-3 and less soil C from 0.1 to 0.2 m in depth under elevated CO2. Overall, these results suggest that elevated CO2 may create a sustained increase in NPP, whereas the long-term effect of elevated O-3 on NPP will be smaller than expected. However, changes in soil C are not well-understood and limit our ability to predict changes in ecosystem C content. C1 [Talhelm, Alan F.; Pregitzer, Kurt S.] Univ Idaho, Dept Forest Rangeland & Fire Sci, Coll Nat Resources, Moscow, ID 83844 USA. [Kubiske, Mark E.; Dickson, Richard E.; Isebrands, J. G.] US Forest Serv, No Res Stn, USDA, Rhinelander, WI 54501 USA. [Zak, Donald R.] Univ Michigan, Sch Nat Resources & Environm, Ann Arbor, MI 48109 USA. [Zak, Donald R.] Univ Michigan, Dept Ecol & Evolutionary Biol, Ann Arbor, MI 48109 USA. [Campany, Courtney E.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Burton, Andrew J.; Karnosky, David F.] Michigan Technol Univ, Ecosyst Sci Ctr, Houghton, MI 49931 USA. [Burton, Andrew J.; Karnosky, David F.] Michigan Technol Univ, Sch Forest Resources & Environm Sci, Houghton, MI 49931 USA. [Hendrey, George R.] CUNY Queens Coll, Sch Earth & Environm Sci, New York, NY 11367 USA. [Isebrands, J. G.] Environm Forestry Consultants LLC, New London, WI 54961 USA. [Lewin, Keith F.; Nagy, John] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Pregitzer, KS (reprint author), Univ Idaho, Dept Forest Rangeland & Fire Sci, Coll Nat Resources, Moscow, ID 83844 USA. EM kpregitzer@uidaho.edu FU U.S. Department of Energy's Office of Biological and Environmental Research; USDA Forest Service, Northern Experiment Station FX The U.S. Department of Energy's Office of Biological and Environmental Research and the USDA Forest Service, Northern Experiment Station supported this work. We thank the many individuals who contributed to this project. NR 70 TC 19 Z9 21 U1 9 U2 134 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2014 VL 20 IS 8 BP 2492 EP 2504 DI 10.1111/gcb.12564 PG 13 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA AL4JW UT WOS:000339100200013 PM 24604779 ER PT J AU Lipson, DA Kuske, CR Gallegos-Graves, L Oechel, WC AF Lipson, David A. Kuske, Cheryl R. Gallegos-Graves, La Verne Oechel, Walter C. TI Elevated atmospheric CO2 stimulates soil fungal diversity through increased fine root production in a semiarid shrubland ecosystem SO GLOBAL CHANGE BIOLOGY LA English DT Article DE 18S rRNA qPCR; Adenostoma fasciculatum; chaparral; free air CO2 enrichment (FACE); large subunit rRNA (28S rRNA or LSU rRNA); Mediterranean-type ecosystem; microbial community ID RIBOSOMAL-RNA GENES; NITROGEN-FERTILIZATION; MICROBIAL COMMUNITIES; CARBON-DIOXIDE; ENVIRONMENTAL-SAMPLES; MYCORRHIZAL FUNGI; CLIMATE-CHANGE; RESPONSES; SEQUESTRATION; PHAEOSPHAERIA AB Soil fungal communities are likely to be central in mediating microbial feedbacks to climate change through their effects on soil carbon (C) storage, nutrient cycling, and plant health. Plants often produce increased fine root biomass in response to elevated atmospheric carbon dioxide (CO2), but the responses of soil microbial communities are variable and uncertain, particularly in terms of species diversity. In this study, we describe the responses of the soil fungal community to free air CO2 enrichment (FACE) in a semiarid chaparral shrubland in Southern California (dominated by Adenomstoma fasciculatum) using large subunit rRNA gene sequencing. Community composition varied greatly over the landscape and responses to FACE were subtle, involving a few specific groups. Increased frequency of Sordariomycetes and Leotiomycetes, the latter including the Helotiales, a group that includes many dark septate endophytes known to associate positively with roots, was observed in the FACE plots. Fungal diversity, both in terms of richness and evenness, increased consistently in the FACE treatment, and was relatively high compared to other studies that used similar methods. Increases in diversity were observed across multiple phylogenetic levels, from genus to class, and were distributed broadly across fungal lineages. Diversity was also higher in samples collected close to (5 cm) plants compared to samples in canopy gaps (30 cm away from plants). Fungal biomass correlated well with soil organic matter (SOM) content, but patterns of diversity were correlated with fine root production rather than SOM. We conclude that the fungal community in this ecosystem is tightly linked to plant fine root production, and that future changes in the fungal community in response to elevated CO2 and other climatic changes will be primarily driven by changes in plant belowground allocation. Potential feedbacks mediated by soil fungi, such as soil C sequestration, nutrient cycling, and pathogenesis, are discussed. C1 [Lipson, David A.; Oechel, Walter C.] San Diego State Univ, San Diego, CA 92182 USA. [Kuske, Cheryl R.; Gallegos-Graves, La Verne] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lipson, DA (reprint author), San Diego State Univ, San Diego, CA 92182 USA. EM dlipson@mail.sdsu.edu FU U.S. Department of Energy Science Focus Area grant from the Biological and Environmental Research Division [LANL2009F260] FX This study was supported in part by a U.S. Department of Energy Science Focus Area grant (LANL2009F260) from the Biological and Environmental Research Division to CRK. Sanger sequencing was conducted by the Los Alamos National Laboratory. NR 67 TC 7 Z9 7 U1 3 U2 95 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2014 VL 20 IS 8 BP 2555 EP 2565 DI 10.1111/gcb.12609 PG 11 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA AL4JW UT WOS:000339100200018 PM 24753089 ER PT J AU Wang, YT Missiakas, D Schneewind, O AF Wang, Ya-Ting Missiakas, Dominique Schneewind, Olaf TI GneZ, a UDP-GlcNAc 2-Epimerase, Is Required for S-Layer Assembly and Vegetative Growth of Bacillus anthracis SO JOURNAL OF BACTERIOLOGY LA English DT Article ID WALL TEICHOIC-ACID; CELL-WALL; STAPHYLOCOCCUS-AUREUS; PROTEIN BSLO; CEREUS; POLYSACCHARIDE; BIOSYNTHESIS; SUBTILIS; BINDING; POLYMERS AB Bacillus anthracis, the causative agent of anthrax, forms an S-layer atop its peptidoglycan envelope and displays S-layer proteins and Bacillus S-layer-associated (BSL) proteins with specific functions to support cell separation of vegetative bacilli and growth in infected mammalian hosts. S-layer and BSL proteins bind via the S-layer homology (SLH) domain to the pyruvylated secondary cell wall polysaccharide (SCWP) with the repeat structure [-> 4)-beta-ManNAc-(1 -> 4)-beta-GlcNAc-(1 -> 6)-alpha-GlcNAc-(1 ->](n), where alpha-GlcNAc and beta-GlcNAc are substituted with two and one galactosyl residues, respectively. B. anthracis gneY (BAS5048) and gneZ (BAS5117) encode nearly identical UDP-GlcNAc 2-epimerase enzymes that catalyze the reversible conversion of UDPGlcNAc and UDP-ManNAc. UDP-GlcNAc 2-epimerase enzymes have been shown to be required for the attachment of the phage lysin PlyG with the bacterial envelope and for bacterial growth. Here, we asked whether gneY and gneZ are required for the synthesis of the pyruvylated SCWP and for S-layer assembly. We show that gneZ, but not gneY, is required for B. anthracis vegetative growth, rod cell shape, S-layer assembly, and synthesis of pyruvylated SCWP. Nevertheless, inducible expression of gneY alleviated all the defects associated with the gneZ mutant. In contrast to vegetative growth, neither germination of B. anthracis spores nor the formation of spores in mother cells required UDP-GlcNAc 2-epimerase activity. C1 [Schneewind, Olaf] Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL 60439 USA. Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. RP Schneewind, O (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL 60439 USA. EM oschnee@bsd.uchicago.edu FU National Institute of Allergy and Infectious Diseases, Infectious Diseases Branch [AI069227]; Region V "Great Lakes" Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (National Institute of Allergy and Infectious Diseases [1-U54-AI-057153] FX This work was supported by a grant from the National Institute of Allergy and Infectious Diseases, Infectious Diseases Branch (AI069227), to O.S. We acknowledge membership within and support from the Region V "Great Lakes" Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (National Institute of Allergy and Infectious Diseases award 1-U54-AI-057153). NR 43 TC 4 Z9 4 U1 1 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2014 VL 196 IS 16 BP 2969 EP 2978 DI 10.1128/JB.01829-14 PG 10 WC Microbiology SC Microbiology GA AL6XL UT WOS:000339276900007 PM 24914184 ER PT J AU Hossain, A Bolotnikov, AE Camarda, GS Cui, Y Jones, D Hall, J Kim, KH Mwathi, J Tong, X Yang, G James, RB AF Hossain, A. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Jones, D. Hall, J. Kim, K. H. Mwathi, J. Tong, X. Yang, G. James, R. B. TI Novel Approach to Surface Processing for Improving the Efficiency of CdZnTe Detectors SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE CdZnTe; surface processing; chemical etchants; surface roughness; surface leakage current; spectral response ID RADIATION DETECTOR; PERFORMANCE AB We emphasize an improvement of the surface processing procedures for cadmium zinc telluride (CZT) detectors, which is one of the principal problems limiting the technology. A rough surface enhances the leakage current into the medium, creating additional trapping centers and thereby degrading the detector's performance. Mechanical polishing followed by chemical treatment yields smoother surfaces as required, but chemical treatment, especially with bromine-based solutions, induces unwanted surface features, increases the surface conductivity, and generates chemical species that alter the material's surface and interfacial properties. It is essential to avoid such adverse consequences of surface etching in the manufacturing of highly efficient radiation detectors. We approached the problem of processing the crystals' surfaces by using two different solutions (a low-concentration bromine-based etchant mixture in conjunction with a surface-passivation reagent and a non-bromine-based etchant). The chemomechanical treatment yielded smooth nonconductive surfaces with fewer detrimental features, therefore allowing us to fabricate better devices. We determined the surface roughness using atomic force microscopy and optical profilometry (OP). We analyzed the surface structure, orientations of the crystals, and formation of chemical species by x-ray photoelectron spectroscopy techniques and delineated their effects on the devices' electrical properties and performance. Our experimental data revealed that our new chemical etching process produced nonconductive surfaces with fewer surface defects and so improved the detectors' charge transport and efficiency. We detail the results of our new etchants and compare them with those for conventional Br-methanol etchants. C1 [Hossain, A.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Tong, X.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Jones, D.; Hall, J.; Mwathi, J.] Alabama A&M Univ, Normal, AL 35762 USA. [Kim, K. H.] Korea Univ, Dept Radiol Sci, Seoul 136703, South Korea. RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hossain@bnl.gov NR 13 TC 8 Z9 8 U1 6 U2 51 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD AUG PY 2014 VL 43 IS 8 BP 2771 EP 2777 DI 10.1007/s11664-013-2698-5 PG 7 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA AL7SH UT WOS:000339334800001 ER PT J AU Hossain, A Dowdy, A Bolotnikov, AE Camarda, GS Cui, Y Roy, UN Tappero, R Tong, X Yang, G James, RB AF Hossain, A. Dowdy, A. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Roy, U. N. Tappero, R. Tong, X. Yang, G. James, R. B. TI Topographic Evaluation of the Effect of Passivation in Improving the Performance of CdZnTe Detectors SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE CdZnTe; surface passivation; surface leakage current; x-ray photoelectron spectroscopy; x-ray fluorescence; spectral response ID TELLURIDE RADIATION DETECTORS; SURFACE PASSIVATION; LEAKAGE CURRENTS; CRYSTALS AB Surface passivation reportedly is an effective technique for controlling surface leakage current and its related electronic noise. Several chemical agents have been effectively used for passivating cadmium zinc telluride (CdZnTe or CZT) surfaces; however, the long-term stability and the adverse effect on the metal contacts remain questionable. In this study, we reviewed two popular passivating agents, viz. hydrogen peroxide (H2O2) and a mixture of ammonium fluoride and hydrogen peroxide (NH4F + H2O2). Our aim was to identify an ideal one that can effectively and permanently lower surface leakage currents without adversely affecting the metal contacts. We characterized their topographic features and their long-term effectiveness in terms of detector performance, and compared the results to understand their nature. We determined which chemical species were formed, and recorded the peaks of elemental Cd and Te via x-ray photoelectron spectroscopy (XPS) and micron-scale spatial resolution x-ray fluorescence (mu-XRF). We describe in detail the formation of new chemical species and the material nonuniformity of differently treated surfaces. Their effectiveness was assessed from experimental findings of their electrical properties and the spectral response. Our results imply that both passivating agents lowered the surface leakage current, and improved the detection efficiency of the CZT detectors, but their effectiveness was unstable over time. C1 [Hossain, A.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Roy, U. N.; Tappero, R.; Tong, X.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Dowdy, A.] Alabama A&M Univ, Normal, AL 35762 USA. RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hossain@bnl.gov NR 17 TC 7 Z9 7 U1 1 U2 23 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD AUG PY 2014 VL 43 IS 8 BP 2941 EP 2946 DI 10.1007/s11664-014-3153-y PG 6 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA AL7SH UT WOS:000339334800024 ER PT J AU Park, JH Farrell, S Kodama, R Blissett, C Wang, X Colegrove, E Metzger, WK Gessert, TA Sivananthan, S AF Park, J. H. Farrell, S. Kodama, R. Blissett, C. Wang, X. Colegrove, E. Metzger, W. K. Gessert, T. A. Sivananthan, S. TI Incorporation and Activation of Arsenic Dopant in Single-Crystal CdTe Grown on Si by Molecular Beam Epitaxy SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE CdTe; As-doping; incorporation; SIMS; activation; Hall measurement; dislocations AB We report the use of molecular beam epitaxy to achieve p-type doping of CdTe grown on Si(211) substrates, by use of an arsenic cracker and post-growth annealing. A high hole density in CdTe is crucial for high efficiency II-VI-based solar cells. We measured the density of As in single-crystal CdTe by secondary ion mass spectroscopy; this showed that high As incorporation is achieved at low growth temperatures. Progressively higher incorporation was observed during low-temperature growth, presumably because of degradation of crystal quality with incorporation of As at such defect sites as dislocations and defect complexes. After As activation annealing under Hg overpressure, hole concentrations were obtained from Hall measurements. The highest doping level was similar to 2.3 x 10(16) cm(-3), and near-10(16) cm(-3) doping was readily reproduced. The activation efficiency was similar to 50%, but further optimization of the growth and annealing conditions is likely to improve this value. C1 [Park, J. H.; Kodama, R.; Blissett, C.; Wang, X.; Colegrove, E.; Sivananthan, S.] EPIR Technol Inc, Bolingbrook, IL 60440 USA. [Farrell, S.; Metzger, W. K.; Gessert, T. A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Park, JH (reprint author), EPIR Technol Inc, Bolingbrook, IL 60440 USA. EM jhpark@epir.com NR 13 TC 5 Z9 5 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD AUG PY 2014 VL 43 IS 8 BP 2998 EP 3003 DI 10.1007/s11664-014-3173-7 PG 6 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA AL7SH UT WOS:000339334800032 ER PT J AU Sakamuri, RM Capek, P Dickerson, TJ Barry, CE Mukundan, H Swanson, BI AF Sakamuri, Rama Murthy Capek, Petr Dickerson, Tobin J. Barry, Clifton E., III Mukundan, Harshini Swanson, Basil I. TI Detection of stealthy small amphiphilic biomarkers SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Amphiphiles; Biomarkers; Phenolic glycolipid; Mycobactin; Lipid bilayer; Membrane insertion assay ID PHENOLIC GLYCOLIPID-I; HIGH-DENSITY-LIPOPROTEIN; MYCOBACTERIUM-TUBERCULOSIS; PATHOGEN DETECTION; IRON ACQUISITION; LEPROSY; LIPOARABINOMANNAN; LEPRAE; RECEPTORS; BIOSENSOR AB Pathogen-specific biomarkers are secreted in the host during infection. Many important biomarkers are not proteins but rather small molecules that cannot be directly detected by conventional methods. However, these small molecule biomarkers, such as phenolic glycolipid-I (PGL-I) of Mycobacterium leprae and Mycobactin T (MbT) of Mycobacterium tuberculosis, are critical to the pathophysiology of infection, and may be important in the development of diagnostics, vaccines, and novel therapeutic strategies. Methods for the direct detection of these biomarkers may be of significance both for the diagnosis of infectious disease, and also for the laboratory study of such molecules. Herein, we present, for the first time, a transduction approach for the direct and rapid (30 min) detection of small amphiphilic biomarkers in complex samples (e.g. serum) using a single affinity reagent. To our knowledge, this is the first demonstration of an assay for the direct detection of PGL-I, and the first single-reporter assay for the detection of MbT. The assay format exploits the amphiphilic chemistry of the small molecule biomarkers, and is universally applicable to all amphiphiles. The assay is only the first step towards developing a robust system for the detection of amphiphilic biomarkers that are critical to infectious disease pathophysiology. Published by Elsevier B.V. C1 [Sakamuri, Rama Murthy; Mukundan, Harshini; Swanson, Basil I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. [Capek, Petr; Dickerson, Tobin J.] Scripps Res Inst, Dept Chem, La Jolla, CA 92037 USA. [Barry, Clifton E., III] NIAID, TB Res Sect, Bethesda, MD USA. RP Mukundan, H (reprint author), Los Alamos Natl Lab, Div Chem, MS J567, Los Alamos, NM 87544 USA. EM harshini@lanl.gov; basil@lanl.gov RI Capek, Petr/G-1303-2012; Barry, III, Clifton/H-3839-2012; Sakamuri, Rama Murthy/D-8919-2012 OI Sakamuri, Rama Murthy/0000-0002-1640-0709 FU LANL LDRD Directed Research Award; LDRD Exploratory Research Award; Bill and Melinda Gates Foundation through the Tuberculosis Drug Accelerator Program FX The authors thank Dr. L. Via at the TB Research Section of the NIAID, for technical discussions and suggestions. We thank K.W. Grace, A.S. Anderson, and Felicia Archuleta for technical help and helpful consultation. This work was supported by a LANL LDRD Directed Research Award to Drs. B.I. Swanson and B.T. Korber, LDRD Exploratory Research Award to Dr. H. Mukundan, and the Bill and Melinda Gates Foundation through the Tuberculosis Drug Accelerator Program (C.E.B. and T.J.D.). The authors thank BEI Resources (Colorado State Materials Consortium) for the antigens and antibodies used for the PGL-1 assay. NR 34 TC 4 Z9 4 U1 2 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 EI 1872-8359 J9 J MICROBIOL METH JI J. Microbiol. Methods PD AUG PY 2014 VL 103 BP 112 EP 117 DI 10.1016/j.mimet.2014.05.012 PG 6 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA AL5CE UT WOS:000339150300019 PM 24880131 ER PT J AU Brake, MR AF Brake, M. R. TI The role of epistemic uncertainty of contact models in the design and optimization of mechanical systems with aleatoric uncertainty SO NONLINEAR DYNAMICS LA English DT Article DE Impact mechanics; Design optimization; Epistemic uncertainty; Aleatoric uncertainty; Dynamics Contact ID IMPACT; RESTITUTION; COEFFICIENT; EXCITATION; SPHERES; VIBRATIONS; WEAR AB Epistemic uncertainty, the uncertainty in the physical model used to represent a phenomenon, has a significant effect on the predictions of simulations of mechanical systems, particularly in systems with impact events. Impact dynamics can have a significant effect on a system's functionality, stability, wear, and failure. Because high-fidelity models of systems with impacts often are too computationally intensive to be useful as design tools, rigid body dynamics and reduced order model simulations are used often, with the impact events modeled by ad hoc methods such as a constant coefficient of restitution or penalty stiffness. The choice of impact model, though, can have significant ramifications on design predictions. The effects of both epistemic and aleatoric (parametric) uncertainty in the choice of contact model are investigated in this paper for a representative multiple-degree of freedom mechanical system. Six contact models are considered in the analysis: two different constant coefficient of restitution models, a piecewise-linear stiffness and damping (i.e., Kelvin-Voight) model, two similar elastic-plastic constitutive models, and one dissimilar elastic-plastic constitutive model. Results show that the optimal mechanism design for each contact model appears extremely different. Further, the effects due to epistemic uncertainty are differentiated clearly in the response from the effects due to aleatoric uncertainty. Lastly, when the mechanisms are optimized to be robust against aleatoric uncertainty, the resulting designs show some robustness against epistemic uncertainty. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brake, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mrbrake@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporations, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 45 TC 6 Z9 6 U1 2 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0924-090X EI 1573-269X J9 NONLINEAR DYNAM JI Nonlinear Dyn. PD AUG PY 2014 VL 77 IS 3 BP 899 EP 922 DI 10.1007/s11071-014-1350-0 PG 24 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA AL7WW UT WOS:000339348400037 ER PT J AU Kummari, VC Reinert, T Jiang, WL McDaniel, FD Rout, B AF Kummari, Venkata C. Reinert, Tilo Jiang, Weilin McDaniel, Floyd D. Rout, Bibhudutta TI Characterization of defects in n-type 4H-SiC after high-energy N ion implantation by RBS-channeling and Raman spectroscopy SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE n-Type 4H-SiC; Ion implantation; RBS; Channeling; Raman spectroscopy ID NITROGEN IMPLANTATION AB Implantation with 1 MeV N ions was performed at room temperature in n-type 4H-SiC (0 0 0 1) at four implantation fluences (or doses in dpa (displacements per atom) at the damage peak) of 1.5 x 10(13) (0.0034), 7.8 x 10(13) (0.018), 1.5 x 10(14) (0.034), and 7.8 x 10(14) (0.178) ions/cm(2), respectively. The evolution of disorder was studied using Rutherford backscattering spectrometry in channeling mode (RBS-C), Raman spectroscopy, and optical transmission. The disorder in the Si sub-lattice was found to be less than 10% for the dpa of 0.0034 and 0.0178 and increased to 40% and 60% for the dpa of 0.034 and 0.178 respectively. The normalized Raman intensity I-n, shows disorder of 41%, 69%, 77% and 100% for the dpa of 0.0034, 0.0178, 0.034 and 0.178, respectively. In this paper, the characterization of the defects produced due to the nitrogen implantation in 4H-SiC are presented and the results are discussed. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kummari, Venkata C.; Reinert, Tilo; McDaniel, Floyd D.; Rout, Bibhudutta] Univ N Texas, Ion Beam Modificat & Anal Lab, Dept Phys, Denton, TX 76203 USA. [Jiang, Weilin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rout, Bibhudutta] Univ N Texas, Ctr Adv Res & Technol, Denton, TX 76207 USA. RP Rout, B (reprint author), Univ N Texas, Ion Beam Modificat & Anal Lab, Dept Phys, 1155 Union Circle 311427, Denton, TX 76203 USA. EM bibhu@unt.edu OI Jiang, Weilin/0000-0001-8302-8313 NR 13 TC 0 Z9 0 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 28 EP 32 DI 10.1016/j.nimb.2014.02.023 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200007 ER PT J AU Lohn, AJ Doyle, BL Stein, GJ Mickel, PR Stevens, JE Marinella, MJ AF Lohn, Andrew J. Doyle, Barney L. Stein, Gregory J. Mickel, Patrick R. Stevens, Jim E. Marinella, Matthew J. TI Rutherford forward scattering and elastic recoil detection (RFSERD) as a method for characterizing ultra-thin films SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE Thin films; Memristor; RRAM; Rutherford forward scattering; Elastic recoil detection AB We present a novel ion beam analysis technique combining Rutherford forward scattering and elastic recoil detection (RFSERD) and demonstrate its ability to increase efficiency in determining stoichiometry in ultrathin (5-50 nm) films as compared to Rutherford backscattering. In the conventional forward geometries, scattering from the substrate overwhelms the signal from light atoms but in RFSERD, scattered ions from the substrate are ranged out while forward scattered ions and recoiled atoms from the thin film are simultaneously detected in a single detector. The technique is applied to tantalum oxide memristors but can be extended to a wide range of materials systems. Published by Elsevier B.V. C1 [Lohn, Andrew J.; Doyle, Barney L.; Stein, Gregory J.; Mickel, Patrick R.; Stevens, Jim E.; Marinella, Matthew J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doyle, BL (reprint author), Sandia Natl Labs, Dept 1111 MS1056,1515 Eubank SE, Albuquerque, NM 87185 USA. EM ajlohn@sandia.gov; bldoyle@sandia.gov NR 15 TC 1 Z9 1 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 99 EP 102 DI 10.1016/j.nimb.2014.02.038 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200022 ER PT J AU Barton, JL Wang, YQ Dittmar, T Doerner, RP Tynan, GR AF Barton, J. L. Wang, Y. Q. Dittmar, T. Doerner, R. P. Tynan, G. R. TI Deuterium retention in tungsten after heavy ion damage and hydrogen isotope exchange in PISCES SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE Deuterium inventory; Tritium inventory; Tungsten; Ion irradiation; Nuclear reaction analysis AB The effect of H isotope exchange and radiation damage on the retention of D in W was examined in the PISCES linear plasma device. W samples were treated with D plasma at low sample temperatures (473 K), with a fluence of 10(26) ions/m(2) and ion energies of 150 eV. Each sample was then exposed to varying doses of H plasma with similar sample temperature and plasma conditions to fluences ranging from 0 to 10(26) ions/m(2), to examine the effectiveness of isotope exchange as a means of tritium removal. The D(He-3, p)He-4 nuclear reaction was used to measure D concentration profiles up to a depth of 7.7 mu m. Thermal desorption spectroscopy (TDS) was used to determine the D retained throughout the bulk of the sample. Isotope exchange allows for a unique study of atomic migration by separately examining the diffusion of implanted atoms from those bombarding the surface. D atoms are exchanged out of traps as a result of H plasma bombardment and diffuse until either falling into another trap or reaching the surface to recombine and escape. Radiation damage at levels of 0.01, 0.1, and 1 displacements per atom (dpa) was carried out before plasma exposure on some samples with 2 MeV Cu ions as a surrogate for damage caused by fusion neutrons. The Cu ion damage was compared to damage induced by 6 MeV W ions to see if there is an effect of Cu contamination on retention. We saw little difference in Cu versus W ion damage at low dpa, but at 1 dpa, where Cu content reached 65 appm, contamination seems to be significant. Retention measurements showed that ion damage has little effectiveness on isotope removal at these sample temperatures; however, there is evidence to suggest that the trapping mechanisms in W change as damage is increased. Published by Elsevier B.V. C1 [Barton, J. L.; Dittmar, T.; Doerner, R. P.; Tynan, G. R.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Wang, Y. Q.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Barton, JL (reprint author), Univ Calif San Diego, 9500 Gilman Dr 0417, La Jolla, CA 92093 USA. EM jbarton@ucsd.edu NR 20 TC 5 Z9 5 U1 4 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 275 EP 279 DI 10.1016/j.nimb.2014.02.077 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200061 ER PT J AU Jin, K Zhu, ZH Manandhar, S Liu, J Chen, CH Shutthanandan, V Thevuthasan, S Weber, WJ Zhang, YW AF Jin, Ke Zhu, Zihua Manandhar, Sandeep Liu, Jia Chen, Chien-Hung Shutthanandan, Vaithiyalingam Thevuthasan, Suntharampillai Weber, William J. Zhang, Yanwen TI Angular distribution and recoil effect for 1 MeV Au+ ions through a Si3N4 thin foil SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE Silicon nitride; Heavy ion; Stopping power; Angular distribution; SIMS ID HEAVY-IONS; SI; DETECTOR; CARBON; RANGE AB The Stopping and Range of Ions in Matter (SRIM) code has been widely used to predict nuclear stopping power and angular distribution of ion-solid collisions. However, experimental validation of the predictions is insufficient for slow heavy ions in nonmetallic compounds. In this work, time-of-flight secondary ion mass spectrometry (ToF-SIMS) is applied to determine the angular distribution of 1 MeV Au ions after penetrating a Si3N4 foil with a thickness of similar to 100 nm. The exiting Au ions are collected by a Si wafer located similar to 14 mm behind the Si3N4 foil, and the resulting 2-dimensional distribution of Au ions on the Si wafer is measured by ToF-SIMS. The SRIM-predicted angular distribution of Au ions through the Si3N4 thin foil is compared with the measured results, indicating that SRIM slightly overestimates the nuclear stopping power by up to 10%. In addition, thickness reduction of the suspended Si3N4 foils induced by 1 MeV Au ion irradiation is observed with an average loss rate of similar to 107 atoms/ion. (C) 2014 Elsevier B.V. All rights reserved. C1 [Jin, Ke; Chen, Chien-Hung; Weber, William J.; Zhang, Yanwen] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhu, Zihua; Manandhar, Sandeep; Liu, Jia; Shutthanandan, Vaithiyalingam; Thevuthasan, Suntharampillai] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Weber, William J.; Zhang, Yanwen] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Zhang, YW (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM zihua.zhu@pnnl.gov; Zhangy1@ornl.gov RI Weber, William/A-4177-2008; Zhu, Zihua/K-7652-2012; OI Weber, William/0000-0002-9017-7365; Manandhar, Sandeep/0000-0001-8613-5317 NR 19 TC 0 Z9 0 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 346 EP 350 DI 10.1016/j.nimb.2014.02.093 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200077 ER PT J AU Baryshev, SV Zinovev, AV Tripa, CE Veryovkin, IV AF Baryshev, S. V. Zinovev, A. V. Tripa, C. E. Veryovkin, I. V. TI Combination of imaging mass spectrometry and electron microscopy for quasi nondestructive surface analysis SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE Sputter depth profiling; Resonance ionization mass spectrometry; Imaging mass spectrometry; Scanning electron microscopy; Ion implantation; Genesis mission ID GENESIS DISCOVERY MISSION; SOLAR-WIND; ISOTOPIC COMPOSITION; INSTRUMENT; IONIZATION AB We report on a combination of imaging mass spectrometry (MS) and scanning electron microscopy (SEM) developed in a custom designed time-of-flight (TOF) MS instrument with laser post-ionization of sputtered atoms. Elemental (by MS) and topographical (by SEM) mapping of surfaces of heavily contaminated Si collectors from the NASA Genesis sample return mission enabled obtaining much more accurate and detailed depth distribution of the Solar Wind Mg and Ca implanted in these collectors. This is because the cleanest areas were identified by the SEM/MS mapping, and high resolution sputter depth profiling at these locations revealed near-surface (0-15 nm) depth distribution of Mg and Ca, that were used for more accurate fluence calculations of these Solar Wind species. MS imaging was virtually nondestructive at primary ion fluence 10(12) cm(-2), causing no effect on accuracy and precision of quantitative depth profiling that followed the imaging. We also demonstrate importance of such an approach by directly comparing high resolution depth profiles measured on clean areas versus arbitrarily selected areas. (C) 2014 Elsevier B.V. All rights reserved. C1 [Baryshev, S. V.; Zinovev, A. V.; Tripa, C. E.; Veryovkin, I. V.] Argonne Natl Lab, Argonne, IL 60439 USA. [Baryshev, S. V.] Euclid TechLabs LLC, Solon, OH 44139 USA. RP Baryshev, SV (reprint author), Euclid TechLabs LLC, 5900 Harper Rd, Solon, OH 44139 USA. EM sergey.v.baryshev@gmail.com NR 25 TC 0 Z9 0 U1 2 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 364 EP 367 DI 10.1016/j.nimb.2014.02.097 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200081 ER PT J AU Veryovkin, IV Tripa, CE Zinovev, AV Baryshev, SV Li, Y Abraham, DP AF Veryovkin, I. V. Tripa, C. E. Zinovev, A. V. Baryshev, S. V. Li, Y. Abraham, D. P. TI TOF SIMS characterization of SEI layer on battery electrodes SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE Depth profiling; SRI layer; Li-ion battery ID QUANTITATIVE SURFACE-ANALYSIS; LITHIUM-ION BATTERIES; SITU X-RAY; SOLID-ELECTROLYTE; IN-SITU; THIN-FILMS; INTERPHASE; XPS; LI; ANODE AB In the last decade, many studies applied surface analysis techniques (SEM, XPS and SIMS) to understand the formation of SEI layers on Li-ion battery electrodes. This work was meant as a comparative model study of the SEI layer formation, which combined in situ SEM imaging with TOF SIMS depth profiling of four samples of the same graphite electrode material, which was subjected to different charge-discharge cycling schemes in a Li-ion battery. Besides comparing compositions of sub-surface regions of these differently processed electrodes, we wanted to know whether these compositions depend on after-cycling sample preparation, in particular if a brief exposure of these samples to air would affect the compositions measured by TOF SIMS. We found that the exposure to air (1) increases secondary ion yield for all species, and (2) changes shapes of SIMS depth profiles for some key species. For selected samples, we also conducted a comparison between the conventional single beam TOF-SIMS depth profiling and a high resolution dual beam depth profiling and found that the former approach can detect the same features in depth profiles as the latter one. We interpreted this as an indication that the sample surface morphology (high roughness) could be a limiting factor in this SEI study, suggesting that specially designed model samples with smooth surfaces are a better choice for future studies. (C) 2014 Elsevier B.V. All rights reserved. C1 [Veryovkin, I. V.; Tripa, C. E.; Zinovev, A. V.; Baryshev, S. V.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Baryshev, S. V.] Euclid TechLabs LLC, Solon, OH 44139 USA. [Li, Y.; Abraham, D. P.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Li, Y.] Univ Rochester, Mat Sci Program, Rochester, NY 14627 USA. RP Veryovkin, IV (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM verigo@anl.gov; liy@anl.gov RI Li, Yan/H-2957-2012 OI Li, Yan/0000-0002-9801-7243 NR 33 TC 7 Z9 7 U1 3 U2 59 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 368 EP 372 DI 10.1016/j.nimb.2014.02.098 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200082 ER PT J AU Xu, CP Liu, XY Gao, F Li, YH Wang, YQ AF Xu, C. P. Liu, X. -Y. Gao, F. Li, Y. H. Wang, Y. Q. TI Modeling radiation damage near grain boundary in helium-doped alpha-iron SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE alpha-Fe; Grain boundary; Molecular dynamics and statics; Cascade-induced radiation damage; He-vacancy clusters ID HE INTERSTITIALS; FE; DIFFUSION AB Molecular dynamics (MD) simulations are performed to investigate how Sigma(3)< 110 >(121) symmetric tilt grain boundary (GB) affects point defects and defect clusters in He-doped alpha-iron at 300 K in picosecond time scales. Molecular statics calculations are also performed and show that the formation energy is reduced in the GB, and the GB acts as a good sink for point defects, especially for interstitial He and self-interstitial atoms (SIAs). It is observed that the average size of HenVm (m > n) clusters becomes smaller in the GB-containing Fe system, where m and n represent the number of vacancies and He atoms in the cluster, respectively. It is also found that the number of HenV (n = 2, 3) clusters in the GB region decreases, while the number of the HeV clusters increases. The GBs loaded with substitutional or interstitial helium atoms are found to facilitate the growth of helium clusters in the GB region. Published by Elsevier B.V. C1 [Xu, C. P.; Li, Y. H.] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China. [Xu, C. P.; Liu, X. -Y.; Wang, Y. Q.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, YQ (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663,MS G755, Los Alamos, NM 87545 USA. EM yqwang@lanl.gov NR 18 TC 3 Z9 3 U1 5 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 426 EP 431 DI 10.1016/j.nimb.2014.02.111 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200095 ER PT J AU Wang, YQ Burward-Hoy, JM Tesmer, JR AF Wang, Y. Q. Burward-Hoy, J. M. Tesmer, J. R. TI Production of high energy and low flux protons using D-2(He-3,p)He-4 for space detector calibrations SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 21st International Conference on Ion Beam Analysis (IBA) CY JUN 23-28, 2013 CL Amer Vacuum Soc, Pacific NW Chapter, Seattle, WA HO Amer Vacuum Soc, Pacific NW Chapter DE RBS; NRA; High energy protons; Detector calibration AB In this report, we want to demonstrate that besides the conventional use for elemental analysis and depth profiling by ion beam analysis (IBA), particles generated through ion-solid interactions in IBA may find other novel and important applications. Specifically, we use Rutherford backscattered and nuclear reaction produced high energy proton particles to calibrate an energetic particle subsystem (called ZEP) of the Space and Atmospheric Burst Reporting System (SABRS) at Los Alamos National Laboratory (LANL). To simulate low radiation flux in the space, we have devised an experiment that uses an ultrathin (similar to 51.8 nm) self-support gold foil to scatter a proton beam from a 3 MV Tandem accelerator into the ZEP subsystem. Direct backscattering from the thin gold foil produces proton particles with tunable energies of 0.2-6.0 MeV and desired counting rates of <10 kHz. To extend the proton particle energy beyond the Tandem's limit of 6 MeV, a high Q-value nuclear reaction, D-2 + He-3 -> p + He-4 + 18.352 MeV, was used. This reaction allows us to obtain as high as 25.6 MeV proton particles on our 3 MV tandem accelerator, more than 4 times as high as the accelerator's maximum proton beam energy, and has greatly extended our proton energy range for this calibration activity. Preliminary ZEP subsystem calibration results are presented. Published by Elsevier B.V. C1 [Wang, Y. Q.; Burward-Hoy, J. M.; Tesmer, J. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wang, YQ (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663,MS G755, Los Alamos, NM 87545 USA. EM yqwang@lanl.gov NR 7 TC 0 Z9 0 U1 2 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD AUG 1 PY 2014 VL 332 BP 432 EP 438 DI 10.1016/j.nimb.2014.02.112 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AL4UV UT WOS:000339131200096 ER PT J AU Nawrocki, RA Galiger, EM Ostrowski, DP Bailey, BA Jiang, X Voyles, RM Kopidakis, N Olson, DC Shaheen, SE AF Nawrocki, Robert A. Galiger, Erin M. Ostrowski, David P. Bailey, Brian A. Jiang, Xin Voyles, Richard M. Kopidakis, Nikos Olson, Dana C. Shaheen, Sean E. TI An inverted, organic WORM device based on PEDOT:PSS with very low turn-on voltage SO ORGANIC ELECTRONICS LA English DT Article DE WORM; Organic memory; PEDOT:PSS; ZnO; PMMA; Inverted architecture ID MANY-TIMES MEMORY; ALUMINUM-OXIDE FILMS; THIN-FILMS; POLYMER; CONDUCTIVITY; MECHANISM; COMPLEX AB An organic Write-Once-Read-Many (WORM) device based on poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS) as the active layer was fabricated with an inverted architecture. Insertion of an ultrathin layer of poly(methylmethacrylate) (PMMA) between the bottom electrode and the PEDOT:PSS resulted in a systematic and substantial decrease in turn-on voltage, from 7.0 V to less than 1.0 V. An optimal thickness of the PMMA layer was found to yield the lowest consistent turn-on voltage of similar to 0.8 V, with 0.5 V being the lowest value of all fabricated devices. The switching mechanism was attributed to filamentary doping of the PEDOT:PSS. Insertion of the PMMA acted to protect the underlying ZnO from being etched by the acidic PEDOT:PSS as well as to improve its wetting properties. Devices were demonstrated on both ITO and aluminum bottom electrodes, with aluminum yielding the highest ON/OFF ratios in the study. Owing to their inverted architecture, the devices demonstrated good stability, and the retention time of the ON-state was determined to be greater than twenty months while stored in air for devices with ITO bottom electrodes. In addition to deposition via spin-coating, blade-coating was demonstrated as a viable processing technique for applications requiring rapid or large-area manufacturing. (C) 2014 Elsevier B. V. All rights reserved. C1 [Nawrocki, Robert A.; Galiger, Erin M.] Univ Denver, Dept Elect & Comp Engn, Denver, CO 80208 USA. [Ostrowski, David P.; Shaheen, Sean E.] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA. [Bailey, Brian A.; Jiang, Xin] Univ Denver, Dept Phys & Astron, Denver, CO 80208 USA. [Voyles, Richard M.] Purdue Univ, Coll Technol, W Lafayette, IN 47907 USA. [Kopidakis, Nikos; Olson, Dana C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Shaheen, Sean E.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. RP Shaheen, SE (reprint author), Univ Colorado, Dept Elect Comp & Energy Engn, 425 UCB, Boulder, CO 80309 USA. EM sean.shaheen@colorado.edu RI Nawrocki, Robert/I-9928-2014; Shaheen, Sean/M-7893-2013; Kopidakis, Nikos/N-4777-2015; Voyles, Richard/I-4258-2016 OI Nawrocki, Robert/0000-0003-0695-3868; FU NSF [DMR-1006930, OISE-1053249, IIS-0923518]; NSF Safety, Security, and Rescue Research Center; NSF, National Nanotechnology Infrastructure Network [ECS-0335765] FX The work was sponsored by NSF grants DMR-1006930, OISE-1053249, and IIS-0923518, with additional support from the NSF Safety, Security, and Rescue Research Center. We also acknowledge the support of NSF grant ECS-0335765 for the Colorado Nanofabrication Laboratory (CNL) as part of the National Nanotechnology Infrastructure Network. We would like to express our gratitude to Joseph D. Gamble, Zefram Marks, Tzu-Min Oo, and Jan Van Zeghbroeck at CNL; Antonio Nava Jr., Arash Hajjam, Philip Cheney, Jon Buckley, Justin Huff, Yanzhe Cui, and Gerald Edelstein at the University of Denver; and Alexandre M. Nardes at the National Renewable Energy Laboratory for their assistance and input. NR 46 TC 6 Z9 6 U1 3 U2 43 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1566-1199 EI 1878-5530 J9 ORG ELECTRON JI Org. Electron. PD AUG PY 2014 VL 15 IS 8 BP 1791 EP 1798 DI 10.1016/j.orgel.2014.05.003 PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AL2CL UT WOS:000338933400012 ER PT J AU Cabeza, LF Urge-Vorsatz, D McNeil, MA Barreneche, C Serrano, S AF Cabeza, Luisa F. Urge-Vorsatz, Diana McNeil, Michael A. Barreneche, Camila Serrano, Susana TI Investigating greenhouse challenge from growing trends of electricity consumption through home appliances in buildings SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Trends; Appliances; Buildings; Energy efficiency ID ENERGY; EFFICIENCY AB Energy use in buildings accounts for 38% of global total final energy consumption, 45% of which in OECD countries. According to the International Energy Agency the continuing demand for new large and small appliances, often with new functionality, is resulting in rapidly increasing electricity consumption in both the residential and service sectors. Appliances contribution to the residential electricity use is increasing. Also, appliances types are changing in our homes. This paper aims to find the trend of energy consumption of appliances in the building sector and describing the driver of this energy consumption. For doing so, a review of the literature available in the topic is summarized first. Trends show that appliances energy consumption is growing, but also that are disproportionately powered by electricity, mainly due to the proliferation of electronics and other small household devices, especially in OECD countries. This trend, which have already brought millions of households out of poverty in China and India and promises to continually improve standards of living throughout the developing world, will also have a major impact on appliance energy consumption as many more households will be able to afford basic equipment such as refrigerators and washing machines. Moreover, because appliances generally consume electricity instead of renewable fuels or direct combustion fuels, they carry a relatively large carbon footprint in countries where electricity production is carbon intensive. Finally, appliances present significant opportunities for efficiency improvement, since most of the appliances to be implemented in the near future still have to be produced. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Cabeza, Luisa F.; Barreneche, Camila; Serrano, Susana] Univ Lleida, GREA Innovacio Concurrent, Edifici CREA, Lleida 25001, Spain. [Urge-Vorsatz, Diana] CEU, Dept Environm Sci & Policy, Ctr Climate Change & Sustainable Energy Policy 3C, H-1051 Budapest, Hungary. [McNeil, Michael A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Cabeza, LF (reprint author), Univ Lleida, GREA Innovacio Concurrent, Edifici CREA, Pere Cabrera S-N, Lleida 25001, Spain. EM lcabeza@diel.udl.cat; vorsatzd@ceu.hu; mamcneil@lbl.go RI Barreneche, Camila/L-3100-2014; Cabeza, Luisa F./B-4587-2013; OI Barreneche, Camila/0000-0003-3636-3180; Cabeza, Luisa F./0000-0001-5086-872X; Serrano, Susana/0000-0001-6350-4212; Urge-Vorsatz, Diana/0000-0003-2570-5341 FU Spanish government [ENE2011-28269-C03-02] FX The work is partially funded by the Spanish government (ENE2011-28269-C03-02). The authors would like to thank the Catalan Government for the quality accreditation given to their research group GREA (2009 SGR 534). NR 22 TC 11 Z9 11 U1 4 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD AUG PY 2014 VL 36 BP 188 EP 193 DI 10.1016/j.rser.2014.04.053 PG 6 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AL5CN UT WOS:000339151200015 ER PT J AU Broadbent, CD Brookshire, DS Coursey, D Tidwell, V AF Broadbent, Craig D. Brookshire, David S. Coursey, Don Tidwell, Vince TI An experimental analysis of water leasing markets focusing on the agricultural sector SO AGRICULTURAL WATER MANAGEMENT LA English DT Article DE Water markets; Hydrologic modeling; Experimental Economics ID WESTERN UNITED-STATES; MURRAY-DARLING BASIN; SOCIAL PREFERENCES; AUSTRALIA; RIGHTS; POLICY; TEMPORARY; TRANSFERS; VEHICLE; PRICES AB Climate variability, population growth and persistent droughts present water managers with challenges in allocating ever scarcer water resources. Water marketing intuitions that allow for the temporary transfer of water between water users can provide water managers and users with the ability to manage this challenge with minimal conflict. This paper develops a water market for temporary transfers for the Middle Rio Grande, NM as a test case to provide water managers and users with insight to a functioning market prior to implementation. Using the techniques of Experimental Economics the developed marketplace provides insights to two key questions: (1) does the value of water rights differ by the types of users engaging in the transaction, (2) how is economic welfare distributed amongst water users as a result of market transactions. The results of the experiments demonstrate that water values differ across trading partners and economic welfare gains as a result of market transactions are largest for capital crop farmers. (C) 2014 Elsevier B.V. All rights reserved. C1 [Broadbent, Craig D.] Illinois Wesleyan Univ, Bloomington, IL 61701 USA. [Brookshire, David S.] Univ New Mexico, Albuquerque, NM 87131 USA. [Coursey, Don] Univ Chicago, Chicago, IL 60637 USA. [Tidwell, Vince] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Broadbent, CD (reprint author), Illinois Wesleyan Univ, 1312 Pk St, Bloomington, IL 61701 USA. EM cbroadbe@iwu.edu FU SAHRA (Sustainability of semi-Arid Hydrology and Riparian Areas) under STC Program of the National Science Foundation [EAR-987680]; University of New Mexico; U.S. Geological Survey; Sandia National Laboratories, Laboratory Directed Research and Development Program FX This material is based upon work supported in part by SAHRA (Sustainability of semi-Arid Hydrology and Riparian Areas) under the STC Program of the National Science Foundation, Agreement No. EAR-987680, SILPE (Science Impact Laboratory for Policy and Economics), a cooperative agreement between the University of New Mexico and the U.S. Geological Survey and from Sandia National Laboratories, Laboratory Directed Research and Development Program. NR 51 TC 0 Z9 0 U1 1 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3774 EI 1873-2283 J9 AGR WATER MANAGE JI Agric. Water Manage. PD AUG PY 2014 VL 142 BP 88 EP 98 DI 10.1016/j.agwat.2014.04.022 PG 11 WC Agronomy; Water Resources SC Agriculture; Water Resources GA AL0KB UT WOS:000338814700010 ER PT J AU Evans, M Roshchanka, V AF Evans, Meredydd Roshchanka, Volha TI Russian policy on methane emissions in the oil and gas sector: A case study in opportunities and challenges in reducing short-lived forcers SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Methane mitigation; Russia; Oil and gas; Climate change; Environmental policy ID MITIGATION AB Methane is a potent greenhouse gas, 21 times as powerful as carbon dioxide in contributing to climate change on a ton-for-ton basis. Methane, along with other short-lived forcers such as black carbon and tropospheric ozone, could play an important role in addressing global climate change. This stems both from their overall effect on climate systems, and from their concentrated impact in the short term. Because reducing emissions of such short-lived pollutants may have a large near-term impact in slowing climate change, the United States and other countries have come together to cooperate under the Climate and Clean Air Coalition to Reduce Short-Lived Climate Pollutants, and other partnerships such as the Global Methane Initiative. For global impact, the success of such partnerships depends on their ability to scale up project-specific emission reductions. This paper assesses options and challenges for scaling based on a case study of Russia's oil and gas sector. We examine the challenges to achieving far-reaching emission reductions, successes of companies to date, how Russia has sought to influence methane emissions through its environmental fine system, and options for helping companies achieve large-scale emission reductions in the future through simpler and clearer incentives. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Evans, Meredydd] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20742 USA. [Roshchanka, Volha] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. RP Evans, M (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20742 USA. EM m.evans@pnnl.gov; volhar@umd.edu FU U.S. Environmental Protection Agency, Office of Air and Radiation [DW-89-92314601-5]; U.S. Department of Energy [DE-AC05-76RL01830] FX The authors are grateful for research support provided by the U.S. Environmental Protection Agency, Office of Air and Radiation (Agreement no. DW-89-92314601-5). The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830. The views and opinions expressed in this paper are those of the authors alone. NR 36 TC 3 Z9 4 U1 1 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2014 VL 92 BP 199 EP 206 DI 10.1016/j.atmosenv.2014.04.026 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AL0IO UT WOS:000338810800023 ER PT J AU Gao, Y Zhao, C Liu, XH Zhang, MG Leung, LR AF Gao, Yi Zhao, Chun Liu, Xiaohong Zhang, Meigen Leung, L. Ruby TI WRF-Chem simulations of aerosols and anthropogenic aerosol radiative forcing in East Asia SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE WRF-Chem; Anthropogenic aerosol; East Asia; Radiative forcing ID CLIMATE-CHEMISTRY/AEROSOL MODEL; BLACK CARBON AEROSOLS; SEA-SALT AEROSOLS; REGIONAL CLIMATE; HYDROLOGICAL CYCLE; OZONE PRODUCTION; SULFATE AEROSOL; SULFUR-DIOXIDE; MINERAL DUST; CHINA AB This study aims to provide a first comprehensive evaluation of WRF-Chem for modeling aerosols and anthropogenic aerosol radiative forcing (RF, including direct, semi-direct and indirect forcing) over East Asia. Several numerical experiments were conducted from November 2007 to December 2008. Comparison between model results and observations shows that the model can generally reproduce the observed spatial distributions of aerosol concentration, aerosol optical depth (AOD) and single scattering albedo (SSA) from measurements at many sites, including the relatively higher aerosol concentration and AOD over East China and the relatively lower AOD over Southeast Asia, Korea, and Japan. The model also depicts the seasonal variation and transport of pollutions over East Asia. Particulate matter of 10 gm or less in the aerodynamic diameter (PM10), black carbon (BC), sulfate (SO42-), nitrate (NO3-) and ammonium (NH4+) concentrations are higher in spring than other seasons in Japan, which indicates the possible influence of pollutant transport from polluted area of East Asia. The model underestimates SO42- and organic carbon (OC) concentrations over mainland China by about a factor of 2, while overestimates NO3- concentration in autumn along the Yangtze River. The model captures the dust events at the Zhangye site in the semi-arid region of China. ADD is high over Southwest and Central China in winter and spring and over North China in winter, spring and summer while is low over South China in summer due to monsoon precipitation. SSA is lowest in winter and highest in summer. Anthropogenic aerosol RF is estimated to range from -5 to -20 W m(-2) over land and -20 to -40 W m(-2) over adjacent oceans at the top of atmosphere (TOA), 5-30 W m(-2) in the atmosphere (ATM) and -15 to -40 W m(-2) at the bottom (BOT). The warming effect of anthropogenic aerosol in ATM results from BC aerosol while the negative aerosol RF at TOA is caused by scattering aerosols such as SO42-, NO3- and NH4+. Positive BC RF at TOA compensates 40-50% of the TOA cooling associated with anthropogenic aerosol. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Gao, Yi; Liu, Xiaohong; Zhang, Meigen] Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Atmospher Boundary Layer Phys & Atm, Beijing, Peoples R China. [Zhao, Chun; Leung, L. Ruby] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Liu, Xiaohong] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. RP Liu, XH (reprint author), Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. EM xliu6@uwyo.edu RI Wang, ZF/D-7202-2012; Liu, Xiaohong/E-9304-2011; Zhao, Chun/A-2581-2012; 杨, 宇栋/F-6250-2012 OI Wang, ZF/0000-0002-7062-6012; Liu, Xiaohong/0000-0002-3994-5955; Zhao, Chun/0000-0003-4693-7213; FU Chinese Academy of Sciences [XDB05030105, XDB05030102, XDB05030103]; Office of Science (BER), U.S. Department of Energy (DOE) Earth System Modeling Program; U.S. DOE as part of the Regional and Global Climate Modeling program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX YG and MZ would like to acknowledge the support from the "Strategic Priority Research Program (B)" of the Chinese Academy of Sciences (XDB05030105, XDB05030102, XDB05030103). XL would like to acknowledge the support from the Office of Science (BER), U.S. Department of Energy (DOE) Earth System Modeling Program. We also acknowledge the support by the U.S. DOE as part of the Regional and Global Climate Modeling program. We thank Dr. Zhanqing Li for providing the MFRSR data used in this study. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 61 TC 18 Z9 18 U1 11 U2 98 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2014 VL 92 BP 250 EP 266 DI 10.1016/j.atmosenv.2014.04.038 PG 17 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AL0IO UT WOS:000338810800028 ER PT J AU Cheng, MD AF Cheng, Meng-Dawn TI Geolocating Russian sources for Arctic black carbon SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Arctic; Atmospheric aerosol; Black carbon; Emission sources; HYSPLIT; Russia ID PARTICLE DISPERSION MODEL; HYBRID RECEPTOR MODELS; LONG-TERM TRENDS; SOURCE REGIONS; SOURCE APPORTIONMENT; SOURCE LOCATIONS; FOREST-FIRES; AEROSOL; IDENTIFICATION; TRANSPORT AB To design and implement an effective emission control strategy for black carbon (BC), the locations and strength of BC sources must be identified. Lack of accurate source information from the Russian Federation has created difficulty for a range of research and policy activities in the Arctic because Russia occupies the largest landmass in the Arctic Circle. A project was initiated to resolve emission sources of BC in the Russian Federation by using the Potential Source Contribution Function (PSCF). It used atmospheric BC data from two Arctic sampling stations at Alert Nunavut, Canada, and Tiksi Bay, Russia. The geographical regions of BC emission sources in Russia were identified and summarized as follows: (1) a region surrounding Moscow, (2) regions in Eurasia stretching along the Ural Mountains from the White Sea to the Black Sea, and (3) a number of scattered areas from western Siberia to the Russian Far East. Particulate potassium ions, non-marine sulfate, and vanadium were used to assist in resolving the source types: forest fire/biomass burning, coal-fired power plant, and oil combustion. Correlating these maps with the BC map helped to resolve source regions of BC emissions and connect them to their corresponding source types. The results imply that a region south of Moscow and another north of the Ural Mountains could be significant BC sources, but none of the grid cells in these regions could be linked to forest fires, oil combustion, or coal-fired power plants based on these three markers. (C) 2014 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Cheng, MD (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,MS 6036, Oak Ridge, TN 37831 USA. EM chengmd@ornl.gov RI Cheng, Meng-Dawn/C-1098-2012; OI Cheng, Meng-Dawn/0000-0003-1407-9576 FU U.S. Department of State [PI-50]; US Department of Energy (DOE) [DE-AC05-00OR22725] FX This research was funded by the U.S. Department of State through an Interagency Agreement administered by the Policy and International Affairs Office (PI-50) at the Department of Energy and was performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the US Department of Energy (DOE) under contract DE-AC05-00OR22725. Sangeeta Sharma of Environment Canada manages and made available the BC data from Alert, Nunavut. The data are available for download through the NAtChem portal at Environment Canada. Taneil Utell of National Oceanic and Atmospheric Administration/Earth System Research Laboratory in Boulder, CO provided the data from Tiksi Bay, Russia. Elke L. Hodson of the DOE PI office is acknowledged for discussion and constructive comments. Joshua Fu and Kan Huang of University of Tennessee-Knoxville were insightful in terms of the emissions inventory in Russia and provided useful comments on missing sources. Weimin Hao of the US Forest Service and Alexander Nakhutin of the Institute of Global Climate and Ecology in Moscow, Russia, provided great perspective regarding forest fires in Russia. The author is also thankful to John M. E. Storey for discussions on the execution and support of the project at ORNL; Deborah M. Counce for technical editing, and anonymous reviewers' comments that help improve the manuscript. NR 54 TC 5 Z9 7 U1 1 U2 36 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2014 VL 92 BP 398 EP 410 DI 10.1016/j.atmosenv.2014.04.031 PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AL0IO UT WOS:000338810800042 ER PT J AU Du, ZY He, KB Cheng, Y Duan, FK Ma, YL Liu, JM Zhang, XL Zheng, M Weber, R AF Du, Zhenyu He, Kebin Cheng, Yuan Duan, Fengkui Ma, Yongliang Liu, Jiumeng Zhang, Xiaolu Zheng, Mei Weber, Rodney TI A yearlong study of water-soluble organic carbon in Beijing I: Sources and its primary vs. secondary nature SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE WSOC; SOA; Biomass burning; Source apportionment ID BIOMASS BURNING CONTRIBUTION; FINE PARTICULATE MATTER; SOUTHEASTERN UNITED-STATES; SOURCE APPORTIONMENT; SEASONAL-VARIATIONS; DICARBOXYLIC-ACIDS; AEROSOL FORMATION; MEXICO-CITY; URBAN SITE; IMPACT AB Sources and properties of water-soluble organic carbon (WSOC) were investigated based on fine particulate matter (PM2.5) samples collected in Beijing during a thirteen month campaign. The WSOC to OC ratios averaged 45.9% annually and were substantially higher in summer compared with the other seasons. WSOC exhibited strong correlation with secondary components such as secondary organic aerosol estimated by the elemental carbon (EC)-tracer method and inorganic ions (e.g., sulfate and nitrate), whereas the correlation between WSOC and EC was much weaker, suggesting that WSOC should be dominated by secondary species. Moreover, the trend of the WSOC to EC ratio was found to coincide with that of relative humidity during winter, spring and fall. High WSOC/EC ratio in February indicates high humidity could enhance the formation potential of WSOC in winter. Sources of WSOC were further investigated by a receptor model (Positive Matrix Factorization model). The apportionment results suggested that biomass burning contributed about 40% of WSOC while about 54% of WSOC was associated with oxalate and sulfate, whereas a primary factor was responsible for only 6% of WSOC also demonstrating that primary emissions are not the main source of WSOC. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Du, Zhenyu; He, Kebin; Cheng, Yuan; Duan, Fengkui; Ma, Yongliang] Tsinghua Univ, Dept Environm Sci & Engn, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [He, Kebin] State Environm Protect Key Lab Sources & Control, Beijing, Peoples R China. [He, Kebin] Collaborat Innovat Ctr Reg Environm Qual, Beijing, Peoples R China. [Liu, Jiumeng; Zhang, Xiaolu; Zheng, Mei; Weber, Rodney] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Liu, Jiumeng] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Zhang, Xiaolu] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. RP He, KB (reprint author), Tsinghua Univ, Dept Environm Sci & Engn, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. EM hekb@mail.tsinghua.edu.cn; ycheng@mail.tsinghua.edu.cn RI Liu, Jiumeng/K-2024-2012; Cheng, Yuan/E-2508-2011 OI Liu, Jiumeng/0000-0001-7238-593X; Cheng, Yuan/0000-0002-2077-5335 FU National Natural Science Foundation of China [21307067, 21190054, 21107061]; China Postdoctoral Science Foundation [2013T60130, 2013M540104] FX This work was supported by the National Natural Science Foundation of China (21307067, 21190054 and 21107061) and the China Postdoctoral Science Foundation (2013T60130 and 2013M540104). NR 48 TC 21 Z9 22 U1 14 U2 124 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2014 VL 92 BP 514 EP 521 DI 10.1016/j.atmosenv.2014.04.060 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AL0IO UT WOS:000338810800055 ER PT J AU Yang, P Ames, DP Fonseca, A Anderson, D Shrestha, R Glenn, NF Cao, Y AF Yang, Ping Ames, Daniel P. Fonseca, Andre Anderson, Danny Shrestha, Rupesh Glenn, Nancy F. Cao, Yang TI What is the effect of LiDAR-derived DEM resolution on large-scale watershed model results? SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Hydrographic feature extraction; Hydrologic modeling; Stream networks; LiDAR; Digital elevation model; Terrain analysis ID DIGITAL ELEVATION MODEL; HYDROLOGICAL-SIMULATION; TERRAIN; UNCERTAINTY; DELINEATION; ALGORITHMS; EXTRACTION; NETWORKS; SYSTEM AB This paper examines the effect of raster cell size on hydrographic feature extraction and hydrological modeling using LiDAR derived DEMs. LiDAR datasets for three experimental watersheds were converted to DEMs at various cell sizes. Watershed boundaries and stream networks were delineated from each DEM and were compared to reference data. Hydrological simulations were conducted and the outputs were compared. Smaller cell size DEMs consistently resulted in less difference between DEM-delineated features and reference data. However, minor differences been found between streamflow simulations resulted for a lumped watershed model run at daily simulations aggregated at an annual average. These findings indicate that while higher resolution DEM grids may result in more accurate representation of terrain characteristics, such variations do not necessarily improve watershed scale simulation modeling. Hence the additional expense of generating high resolution DEM's for the purpose of watershed modeling at daily or longer time steps may not be warranted. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Yang, Ping; Cao, Yang] Tarleton State Univ, Texas Inst Appl Environm Res, Stephenville, TX 76401 USA. [Ames, Daniel P.] Brigham Young Univ, Dept Civil & Environm Engn, Provo, UT 84602 USA. [Fonseca, Andre] Univ Porto, Dept Chem Engn, LSRE LCM, P-4100 Oporto, Portugal. [Anderson, Danny] Idaho Natl Lab, Idaho Falls, ID USA. [Shrestha, Rupesh; Glenn, Nancy F.] Boise State Univ, Dept Geosci, Boise, ID 83725 USA. RP Yang, P (reprint author), Tarleton State Univ, Texas Inst Appl Environm Res, Stephenville, TX 76401 USA. EM pingyang@tiaer.tarleton.edu RI Glenn, Nancy/B-4491-2014; Shrestha, Rupesh/I-1641-2016; Fonseca, Andre/A-1805-2017; OI Glenn, Nancy/0000-0003-2124-7654; Shrestha, Rupesh/0000-0002-3140-6623; Fonseca, Andre/0000-0001-6792-8047; Ames, Daniel P./0000-0003-2606-2579; Yang, Ping/0000-0001-8704-3043 FU National Science Foundation Idaho EPSCoR Program [EPS-814387]; NOAA OAR Earth Systems Research Laboratory/Physical Sciences Division (ESRL/PSD) [NA09OAR4600221]; FCT [SFRH/BD/69654/2010] FX The authors wish to give thanks to Dr. Jim McNamara for sharing data for use in this research and to the staff at BCAL for their LiDAR data processing training and technical support. This study has been supported in part by the National Science Foundation Idaho EPSCoR Program under award number EPS-814387 and by NOAA OAR Earth Systems Research Laboratory/Physical Sciences Division (ESRL/PSD) under award number NA09OAR4600221. Andre R. Fonseca acknowledges his 'doctoral fellowship (SFRH/BD/69654/2010) supported by FCT. NR 56 TC 10 Z9 10 U1 3 U2 22 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1364-8152 EI 1873-6726 J9 ENVIRON MODELL SOFTW JI Environ. Modell. Softw. PD AUG PY 2014 VL 58 BP 48 EP 57 DI 10.1016/j.envsoft.2014.04.005 PG 10 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA AL0OI UT WOS:000338825800004 ER PT J AU Bhalla, A Bischoff, KM Uppugundla, N Balan, V Sani, RK AF Bhalla, Aditya Bischoff, Kenneth M. Uppugundla, Nirmal Balan, Venkatesh Sani, Rajesh K. TI Novel thermostable endo-xylanase cloned and expressed from bacterium Geobacillus sp WSUCF1 SO BIORESOURCE TECHNOLOGY LA English DT Article; Proceedings Paper CT International Conference on Advances in Biotechnology and Bioinformatics CY NOV 25-27, 2013 CL Pune, INDIA DE Biofuels; Endo-xylanase; AFEX-treated corn stover; Thermostable ID GENERATING XYLOOLIGOSACCHARIDES; CLONING; APPLICABILITY AB A gene encoding a GH10 endo-xylanase from Geobacillus sp. WSUCF1 was cloned and expressed in Escherichia coli. Recombinant endo-xylanase (37 kDa) exhibited high specific activity of 461.0 U/mg of protein. Endo-xylanase was optimally active on birchwood xylan at 70 degrees C and pH 6.5. The endo-xylanase was found to be highly thermostable at 50 and 60 degrees C, retaining 82% and 50% of its original activity, respectively, after 60 h. High xylan conversions (92%) were obtained with oat-spelt xylan hydrolysis. Higher glucan and xylan conversions were obtained on AFEX-treated corn stover with an enzyme cocktail containing WSUCF1 endo-xylanase (71% and 47%) as compared to enzyme cocktail containing commercial fungal endo-xylanase (64% and 41%). High specific activity, active at high pH's, wide substrate specificity, and higher hydrolytic activity on recalcitrant lignocellulose, make this endo-xylanase a suitable candidate for biofuel and bioprocess industries. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Bhalla, Aditya; Sani, Rajesh K.] South Dakota Sch Mines & Technol, Dept Chem & Biol Engn, Rapid City, SD 57701 USA. [Bischoff, Kenneth M.] ARS, Renewable Prod Technol Res Unit, Natl Ctr Agr Utilizat Res, USDA, Peoria, IL 61604 USA. [Uppugundla, Nirmal; Balan, Venkatesh] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, Dept Chem Engn & Mat Sci, Lansing, MI 48823 USA. RP Sani, RK (reprint author), South Dakota Sch Mines & Technol, Dept Chem & Biol Engn, Rapid City, SD 57701 USA. EM Rajesh.Sani@sdsmt.edu RI BHALLA, ADITYA/Q-2792-2015 OI BHALLA, ADITYA/0000-0003-3462-9600 FU NSF-I/UCRC [441087]; U.S. DOE GLBRC [DE-FC02-07ER64494] FX The authors gratefully acknowledge the financial support provided by the (NSF-I/UCRC, Grant #441087). Funding support given to Dr. Balan and Nirmal Uppugundla by U.S. DOE GLBRC DE-FC02-07ER64494 is gratefully acknowledged. We thank Prof. Bruce Dale at Biomass Conversion Research Laboratory, MSU for allowing use of automatic pipetting workstations. NR 15 TC 14 Z9 15 U1 5 U2 34 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD AUG PY 2014 VL 165 SI SI BP 314 EP 318 DI 10.1016/j.biortech.2014.03.112 PG 5 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AK8WZ UT WOS:000338710700048 PM 24725385 ER PT J AU Zhao, MJ Tabares-Velasco, PC Srebric, J Komarneni, S Berghage, R AF Zhao, Mingjie Tabares-Velasco, Paulo Cesar Srebric, Jelena Komarneni, Sridhar Berghage, Robert TI Effects of plant and substrate selection on thermal performance of green roofs during the summer SO BUILDING AND ENVIRONMENT LA English DT Article DE Green roof performance; Plant and substrate selection; Green roof model; Heat flux; Net radiation ID CONDUCTIVITY; TEMPERATURE; VEGETATION; BUILDINGS; SOIL AB Green roof assemblies influence the total roof surface energy balance for a building. The energy balance for a green roof depends mostly on the selection of plants and substrates suitable for the building's location. This study measured thermal properties of common green roof materials and selected two types of plants and substrates to simulate transient thermal performance of different green roof assemblies. The selected plants and substrates have the highest and lowest reflectivity values to establish upper and lower bounds of thermal performance. The simulations use a previously developed green roof model including weather data for four cities representing different climate zones in the U.S. Based on the simulations, substrate heat fluxes and net radiation fluxes are compared for five days in July of the typical meteorological year. The results show that green roof assemblies receive net radiation fluxes that differ by 20%, and peak net radiation fluxes that differ by 16%, due to their different spectral reflectivity values. However, the substrate heat fluxes are similar for different green roof assemblies, as a roof insulation layer diminished this flux. Overall, the material selection of green roof assemblies is more important for buildings located in climate zone 4 or 5 than buildings located in climate zone 2 or 3, where limited water availability for evapotranspiration during hot, dry summers results in little thermal performance variability. Independent of the climate zones, simulation results show that the plant type has an important effect on the net radiation. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Zhao, Mingjie] Penn State Univ, Dept Architectural Engn, University Pk, PA 16802 USA. [Tabares-Velasco, Paulo Cesar] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Srebric, Jelena] Univ Maryland, Dept Mech Engn, College Pk, MD 20742 USA. [Komarneni, Sridhar] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. [Berghage, Robert] Penn State Univ, Dept Hort, University Pk, PA 16802 USA. RP Zhao, MJ (reprint author), Penn State Univ, Dept Architectural Engn, University Pk, PA 16802 USA. EM mxz190@psu.edu; paulo.tabares@nrel.gov; jsrebric@umd.edu; sxk7@psu.ed; rdberghage@mac.com NR 31 TC 10 Z9 10 U1 3 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 EI 1873-684X J9 BUILD ENVIRON JI Build. Environ. PD AUG PY 2014 VL 78 BP 199 EP 211 DI 10.1016/j.buildenv.2014.02.011 PG 13 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA AK7PH UT WOS:000338619700020 ER PT J AU Andrew, CJ Van Diepen, LTA Miller, RM Lilleskov, EA AF Andrew, Carrie J. Van Diepen, Linda T. A. Miller, R. Michael Lilleskov, Erik A. TI Aspen-associated mycorrhizal fungal production and respiration as a function of changing CO2, O-3 and climatic variables SO FUNGAL ECOLOGY LA English DT Article DE Carbon dioxide; Mycorrhizal fungi; Ozone; Populus tremuloides; Productivity; Respiration ID ELEVATED ATMOSPHERIC CO-2; SOIL RESPIRATION; FOREST SOIL; ECTOMYCORRHIZAL FUNGI; NITROGEN-FERTILIZATION; TROPOSPHERIC O-3; CARBON-DIOXIDE; TEMPERATURE SENSITIVITY; COMMUNITY STRUCTURE; AGARICUS-BISPORUS AB The relationships of mycorrhizal fungal respiration and productivity to climate and atmospheric chemistry remain under characterized. We quantified mycorrhizal sporocarp and hyphal respiration, as well as growing season net hyphal production, under ambient and elevated carbon dioxide (CO2) and ozone (O-3) in relation to natural temperature and moisture variation. Hyphal respiration did not respond significantly to elevated CO2 and O-3. Sporocarp respiration was affected by temperature and moisture content while hyphal respiratory response to temperature was undetected over the narrower range of soil temperatures captured. Hyphal respiration comprised 31 % of soil respiration, and the ratio of hyphal respiration to soil respiration declined with elevated CO2. Hyphal biomass was reduced under all treatments though not statistically significant. Given the large fraction of soil respiration represented by mycorrhizal fungi and its sensitivity to climate, a small change in fungal respiration could strongly affect carbon budgets and cycling under climate change. (C) 2013 Elsevier Ltd and The British Mycological Society. All rights reserved. C1 [Andrew, Carrie J.; Van Diepen, Linda T. A.] Michigan Technol Univ, Houghton, MI 49931 USA. [Andrew, Carrie J.] NE Illinois Univ, Dept Biol, Chicago, IL 60625 USA. [Andrew, Carrie J.] Art Inst Chicago, Chicago, IL 60603 USA. [Andrew, Carrie J.] Field Museum Nat Hist, Dept Bot, Chicago, IL 60605 USA. [Van Diepen, Linda T. A.] Univ New Hampshire, Dept Nat Resources & Environm, Durham, NH 03824 USA. [Miller, R. Michael] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Lilleskov, Erik A.] US Forest Serv, No Res Stn, Forestry Sci Lab, Houghton, MI 49931 USA. RP Andrew, CJ (reprint author), Michigan Technol Univ, 1400 Townsend Dr, Houghton, MI 49931 USA. EM carrie.j.andrew@gmail.com FU USDA Forest Service; Northern Research Station; Ecosystem Science Center (MTU) research grant; Finishing Fellowship Grant through the Michigan Technological University Graduate School; US Department of Energy FX We extend our gratitude to AJ Burton for advice on past manuscripts and study designs, to both AJ Burton & KS Pregitzer for sharing Aspen FACE soil respiration data, and to anonymous reviewers of this manuscript. We appreciate field help contributed by Bob Andrew and Joy Andrew. Funding was provided by the USDA Forest Service, Northern Research Station, an Ecosystem Science Center (MTU) research grant awarded to C Andrew in 2006, and a Finishing Fellowship Grant awarded to C Andrew through the Michigan Technological University Graduate School in 2009. Finally, we thank the Aspen FACE Steering Committee for implementing and maintaining the Aspen FACE site throughout the duration of this study. The Aspen FACE site was primarily funded by the US Department of Energy. NR 87 TC 1 Z9 1 U1 4 U2 43 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1754-5048 EI 1878-0083 J9 FUNGAL ECOL JI Fungal Ecol. PD AUG PY 2014 VL 10 BP 70 EP 80 DI 10.1016/j.funeco.2013.10.005 PG 11 WC Ecology; Mycology SC Environmental Sciences & Ecology; Mycology GA AK7PE UT WOS:000338619400007 ER PT J AU Christov, IC Stone, HA AF Christov, Ivan C. Stone, Howard A. TI Shear dispersion in dense granular flows SO GRANULAR MATTER LA English DT Article DE Taylor-Aris dispersion; Rapid granular flow; Bagnold profile; Granular diffusion ID PARTICLE-SIZE SEGREGATION; FREE-SURFACE FLOWS; SELF-DIFFUSION; CONCENTRATED SUSPENSIONS; MIGRATION; ADVECTION; VELOCITY; SOLIDS AB We formulate and solve a model problem of dispersion of dense granular materials in rapid shear flow down an incline. The effective dispersivity of the depth-averaged concentration of the dispersing powder is shown to vary as the P,clet number squared, as in classical Taylor-Aris dispersion of molecular solutes. An extension to generic shear profiles is presented, and possible applications to industrial and geological granular flows are noted. C1 [Christov, Ivan C.; Stone, Howard A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. RP Christov, IC (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM christov@alum.mit.edu RI Christov, Ivan/B-9418-2008 OI Christov, Ivan/0000-0001-8531-0531 FU National Science Foundation (NSF) at Princeton University [DMS-1104047]; LANL/LDRD Program through a Feynman Distinguished Fellowship (at Los Alamos National Laboratory); National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; NSF [CBET-1234500] FX I.C.C. was supported by the National Science Foundation (NSF) under Grant No. DMS-1104047 (at Princeton University) and by the LANL/LDRD Program through a Feynman Distinguished Fellowship (at Los Alamos National Laboratory). LANL is operated by Los Alamos National Security, L. L. C. for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. H. A. S. thanks the NSF for support via Grant No. CBET-1234500. We acknowledge useful discussions with Ian Griffiths and Gregory Rubinstein on the derivation of the dispersion equations for the case of non-constant diffusivity, and we thank Ben Glasser for helpful conversations. NR 43 TC 3 Z9 3 U1 1 U2 26 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-5021 EI 1434-7636 J9 GRANUL MATTER JI Granul. Matter PD AUG PY 2014 VL 16 IS 4 BP 509 EP 515 DI 10.1007/s10035-014-0498-0 PG 7 WC Materials Science, Multidisciplinary; Mechanics; Physics, Applied SC Materials Science; Mechanics; Physics GA AK9CM UT WOS:000338725100010 ER PT J AU Kraus, T Foster, K AF Kraus, Terry Foster, Kevin TI ANALYSIS OF FISSION AND ACTIVATION RADIONUCLIDES PRODUCED BY A URANIUM-FUELED NUCLEAR DETONATION AND IDENTIFICATION OF THE TOP DOSE-PRODUCING RADIONUCLIDES SO HEALTH PHYSICS LA English DT Article DE atomic bomb; dose assessment; fallout; nuclear weapons AB The radiological assessment of the nuclear fallout (i.e., fission and neutron-activation radionuclides) from a nuclear detonation is complicated by the large number of fallout radionuclides. This paper provides the initial isotopic source term inventory of the fallout from a uranium-fueled nuclear detonation and identifies the significant and insignificant radiological dose producing radionuclides over 11 dose integration time periods (time phases) of interest. A primary goal of this work is to produce a set of consistent, time phase-dependent lists of the top dose-producing radionuclides that can be used to prepare radiological assessment calculations and data products (e.g., maps of areas that exceed protective action guidelines) in support of public and worker protection decisions. The ranked lists of top dose-producing radionuclides enable assessors to perform atmospheric dispersion modeling and radiological dose assessment modeling more quickly by using relatively short lists of radionuclides without significantly compromising the accuracy of the modeling and the dose projections. This paper also provides a superset-list of the top dose-producing fallout radionuclides from a uranium-fueled nuclear detonation that can be used to perform radiological assessments over any desired time phase. Furthermore, this paper provides information that may be useful to monitoring and sampling and laboratory analysis personnel to help understand which radionuclides are of primary concern. Finally, this paper may be useful to public protection decision makers because it shows the importance of quickly initiating public protection actions to minimize the radiological dose from fallout. C1 [Kraus, Terry] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Foster, Kevin] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kraus, T (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 0791, Albuquerque, NM 87185 USA. EM tdkraus@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy [DE-AC52-07NA27344] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This manuscript has been authored by Lawrence Livermore National Security, LLC, under Contract No. DE-AC52-07NA27344 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 17 TC 0 Z9 0 U1 0 U2 9 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2014 VL 107 IS 2 BP 150 EP 163 DI 10.1097/HP.0000000000000086 PG 14 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA AK8LJ UT WOS:000338678800006 PM 24978286 ER PT J AU Pisano, F Jeremic, B AF Pisano, Federico Jeremic, Boris TI Simulating stiffness degradation and damping in soils via a simple visco-elastic-plastic model SO SOIL DYNAMICS AND EARTHQUAKE ENGINEERING LA English DT Article DE Stiffness degradation; Damping; Plasticity; Bounding surface; Viscosity; Cyclic loading ID MULTIAXIAL FORMULATION; MOTION PROPAGATION; CONSTITUTIVE MODEL; STATE PARAMETER; SAND AB Stiffness degradation and damping represent some of the most well-known aspects of cyclic soil behavior. While standard equivalent linear approaches reproduce these features by (separately) prescribing stiffness reduction and damping curves, in this paper a multiaxial, 3D, viscoelastic - plastic model is developed for the simultaneous simulation of both cyclic curves over a wide cyclic shear strain range. The proposed constitutive relationship is based on two parallel resisting/dissipative mechanisms, purely frictional (elastic-plastic) and viscous. The frictional mechanism is formulated as a bounding surface plasticity model with vanishing elastic domain, including pressure-sensitive failure locus and non-associative plastic flow - which are essential for effective stress analysis. At the same time, the use of the parallel viscous mechanism is shown to be especially beneficial to improve the simulation of the overall dissipative performance. In order to enable model calibration from stiffness degradation (G/G(max)) and damping curves, the constitutive equations are purposely kept as simple as possible with a low number of material parameters. Although the model performance is here explored with reference to pure shear cyclic tests, the 3D, multiaxial formulation is appropriate for general loading conditions. (C) 2014 Published by Elsevier Ltd. C1 [Pisano, Federico] Politecn Milan, I-20133 Milan, Italy. [Jeremic, Boris] Univ Calif Davis, Davis, CA 95616 USA. [Jeremic, Boris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Pisano, F (reprint author), Politecn Milan, I-20133 Milan, Italy. EM federico.pisano@polimi.it FU US-NRC; US-DOE FX Funding from and collaboration with the US-NRC and funding from US-DOE for this research is greatly appreciated. NR 49 TC 4 Z9 4 U1 4 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0267-7261 EI 1879-341X J9 SOIL DYN EARTHQ ENG JI Soil Dyn. Earthq. Eng. PD AUG PY 2014 VL 63 BP 98 EP 109 DI 10.1016/j.soildyn.2014.02.014 PG 12 WC Engineering, Geological; Geosciences, Multidisciplinary SC Engineering; Geology GA AK7MM UT WOS:000338612400009 ER PT J AU Schultz, BM Unocic, RR DesJardins, JD Kennedy, MS AF Schultz, Bradley M. Unocic, Raymond R. DesJardins, John D. Kennedy, Marian S. TI Formation of a Metallic Amorphous Layer During the Sliding Wear of Ti/TiN Nanolaminates SO TRIBOLOGY LETTERS LA English DT Article DE Nanolaminates; Titanium; Nitrides; Coatings; Wear resistance; EELS; TEM ID MECHANICAL-PROPERTIES; NANOINDENTATION HARDNESS; TRIBOLOGICAL PROPERTIES; INDUCED AMORPHIZATION; STAINLESS-STEEL; THIN-FILMS; MULTILAYERS; COATINGS; BEHAVIOR; TIN AB This paper describes experimental studies of metallic/ceramic nanolaminate performance under sliding contact and identifies the formation of an amorphous layer between the nanolaminate and counterface. Nanolaminates used for this study had either 20- or 100-nm-thick alternating layers of Ti and TiN, resulting in a total thickness of similar to 1-mu m films. The structure of the Ti and TiN layers was confirmed using X-ray diffraction [(111)(TiN) and (002)(Ti)], and compositions were determined using electron energy loss spectroscopy (EELS)-Ti and TiN0.7. Variation of the individual layer thicknesses within Ti/TiN nanolaminates was shown to influence both the deformation observed through the nanolaminate thickness and also the friction coefficient between the nanolaminate and 440C steel counterface during linear reciprocating wear. During sliding, the 100-nm-layered nanolaminate had a lower coefficient of friction (0.25 +/- A 0.01) than the 20-nm-layered nanolaminate (0.56 +/- A 0.06). An amorphous titanium layer developed during sliding at the interface between the 100-nm nanolaminate and steel counterface. EELS confirmed that this layer did not contain any nitrogen and recrystallization occurred near the in-contact surface. While phase changes under compressive loading have been reported for other systems, this is the first report to indicate this response within a titanium layer. C1 [Schultz, Bradley M.; Kennedy, Marian S.] Clemson Univ, Dept Mat Sci & Engn, Clemson, SC 29634 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [DesJardins, John D.] Clemson Univ, Dept Bioengn, Clemson, SC 29634 USA. [Kennedy, Marian S.] Clemson Univ, Ctr Opt Mat Sci & Engn Technol COMSET, Clemson, SC 29634 USA. RP Schultz, BM (reprint author), Clemson Univ, Dept Mat Sci & Engn, Clemson, SC 29634 USA. EM bmschul@clemson.edu OI Unocic, Raymond/0000-0002-1777-8228 FU Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX This research was partially supported through a user project supported by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The authors wish to acknowledge the assistance of Prof. J. Harriss (Clemson University), Dr. E. A. Payzant (ORNL CNMS), Mr. D. R. Economy (Clemson University), Dr. K. L. More (ORNL), and the staff of the Clemson Electron Microscope Facility for their helpful discussions and guidance. The authors also wish to thank Ms. D. W. Coffey for her efforts in FIB-S/TEM specimen preparation. NR 41 TC 0 Z9 0 U1 3 U2 25 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1023-8883 EI 1573-2711 J9 TRIBOL LETT JI Tribol. Lett. PD AUG PY 2014 VL 55 IS 2 BP 219 EP 226 DI 10.1007/s11249-014-0350-z PG 8 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA AK8AY UT WOS:000338650700002 ER PT J AU Zhou, L Miller, MK Lu, P Ke, LQ Skomski, R Dillon, H Xing, Q Palasyuk, A McCartney, MR Smith, DJ Constantinides, S McCallum, RW Anderson, IE Antropov, V Kramer, MJ AF Zhou, Lin Miller, M. K. Lu, Ping Ke, Liqin Skomski, R. Dillon, H. Xing, Q. Palasyuk, A. McCartney, M. R. Smith, D. J. Constantinides, S. McCallum, R. W. Anderson, I. E. Antropov, V. Kramer, M. J. TI Architecture and magnetism of alnico SO ACTA MATERIALIA LA English DT Article DE Magnetic; Microstructure; Spinodal decomposition; Atom-probe tomography; TEM ID PERMANENT-MAGNETS; ATOM-PROBE; ALLOYS; ND2FE14B; DOMAINS; PHASE AB A rare-earth supply crisis has stimulated an intensive search for alternative permanent magnets. Alnico materials, alloys containing Al, Ni, Co and Fe, are functional nanostructured alloys, which show great potential for replacing the best commercial Nd-based rare-earth alloys for applications above 200 degrees C. However, their coercivity is similar to 2-3 x below theoretical limits. The coercivity of alnico depends on the nanostructure developed during spinodal decomposition. In this work, atom probe tomography, combined with advanced electron microcopy, indicate that the microstructure of alnico is sensitive to the introduction of alloying elements such as Ti and Cu, as well as the crystallographic orientation of the parent phase with respect to the direction of the imposed magnetic field during spinodal decomposition. The alnico coercivity mechanism involves interplay of size, chemistry and possibly stress at interfaces. Control of these parameters should allow reduction of the spatial dimension of the FeCo-rich precipitates and the interaction between them, which should in term increase the coercivity of alnico alloys. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Zhou, Lin; Ke, Liqin; Dillon, H.; Xing, Q.; Palasyuk, A.; McCallum, R. W.; Anderson, I. E.; Antropov, V.; Kramer, M. J.] Ames Lab, Ames, IA 50014 USA. [Miller, M. K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Lu, Ping] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Skomski, R.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Skomski, R.] Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA. [McCartney, M. R.; Smith, D. J.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Constantinides, S.] Arnold Magnet Technol Corp, Rochester, NY 14625 USA. RP Zhou, L (reprint author), Ames Lab, Ames, IA 50014 USA. EM linzhou@ameslab.gov FU Department of Energy-Energy Efficiency and Renewable Energy, Vehicles Technology Office, PEEM program [DE-AC02-07CH11358]; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The work in the Ames Lab was supported by the Department of Energy-Energy Efficiency and Renewable Energy, Vehicles Technology Office, PEEM program, under Contract No. DE-AC02-07CH11358 for the operation of Ames Laboratory (USDOE). Atom-probe tomography research (M.K.M.) was supported through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 35 TC 18 Z9 18 U1 7 U2 73 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG 1 PY 2014 VL 74 BP 224 EP 233 DI 10.1016/j.actamat.2014.04.044 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK7PY UT WOS:000338621400021 ER PT J AU Yadav, SK Ramprasad, R Misra, A Liu, XY AF Yadav, S. K. Ramprasad, R. Misra, A. Liu, X. -Y. TI Core structure and Peierls stress of edge and screw dislocations in TiN: A density functional theory study SO ACTA MATERIALIA LA English DT Article DE DFT; Dislocations; Peierls stress; Ceramic ID ELASTIC BAND METHOD; GENERALIZED STACKING-FAULTS; AB-INITIO CALCULATIONS; MINIMUM ENERGY PATHS; MGO SINGLE-CRYSTALS; TITANIUM NITRIDE; SADDLE-POINTS; METALS; 1ST-PRINCIPLES; SLIP AB A first-principles computational scheme was applied for studying edge and screw dislocations in non-elemental systems for the first time. For the case of TiN as a model system, we established the preferred slip systems for edge and screw dislocations, with a Burgers vector of a/2(1 1 0) on the {0 0 1}, {1 1 0} and {1 1 1} slip planes. The simulations adopted periodically repeating triclinic supercells containing a dipole of dislocations arranged such that periodicity can be maintained without imposition of large spurious elastic stresses. It was determined that the Peierls stress is the smallest for slip along the {1 1 0} plane, and largest for slip along the {0 0 1} plane, for both edge and screw dislocations. The dislocation core structures and the Peierls stress results are discussed and compared to those in a purely ionic MgO system. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Yadav, S. K.; Liu, X. -Y.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Yadav, S. K.; Ramprasad, R.] Univ Connecticut, Storrs, CT 06269 USA. [Misra, A.] Los Alamos Natl Lab, MPA CINT, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Liu, XY (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. EM xyliu@lanl.gov RI Yadav, Satyesh/M-6588-2014; yadav, satyesh/C-5811-2013; Misra, Amit/H-1087-2012 OI yadav, satyesh/0000-0002-6308-6070; FU Los Alamos National Laboratory (LANL) Directed Research and Development Program; US Department of Energy, Office of Science, Office of Basic Energy Sciences; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX The authors thank insightful discussions with R.G. Hoagland, J. Wang, D. Trinkle, E. Clouet, T.E. Mitchell and J.P. Hirth. We thank J. Yasi for help on Nye tensor plots. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. S.K.Y. and X.Y.L. also acknowledge partial support by the Los Alamos National Laboratory (LANL) Directed Research and Development Program. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under Contract No. DE-AC52-06NA25396. NR 65 TC 11 Z9 11 U1 10 U2 49 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG 1 PY 2014 VL 74 BP 268 EP 277 DI 10.1016/j.actamat.2014.04.047 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK7PY UT WOS:000338621400025 ER PT J AU Bennett, AB Isaacs, R AF Bennett, Ashley B. Isaacs, Rufus TI Landscape composition influences pollinators and pollination services in perennial biofuel plantings SO AGRICULTURE ECOSYSTEMS & ENVIRONMENT LA English DT Article DE Pollination; Ecosystem services; Sunflower; Native bees; Grassland; Landscape context ID EASTERN NORTH-AMERICA; AGROFORESTRY MANAGEMENT; AGRICULTURAL LANDSCAPES; SPECIES RICHNESS; FLOWER CONSTANCY; BEE COMMUNITIES; FORAGING RANGES; DIVERSITY; CROPS; ABUNDANCE AB Biofuel cropping systems are considered a potential source of renewable energy and an integral component of a sustainable energy policy. The type of biofuel crop selected for production has the capacity to substantially alter landscape composition, affecting biodiversity conservation and ecosystem services. To understand how increasing production of perennial grasses for biofuels may affect pollinators and pollination services, we identified 20 agricultural fields that varied in their proportion of surrounding grassland cover. Bees and pollination services were measured at each site to determine how bee abundance, diversity, and community composition responded to increasing proportions of grassland, and to quantify how pollination services changed as the proportion of grassland increased in the landscape. Bees were collected from sentinel sunflowers, and pollination services were measured by comparing seed set from open and closed sunflowers at each site. Landscape composition had a significant effect on bee abundance, diversity, and community composition with a greater abundance of bees and a more diverse bee community found visiting flowers at sites with more of the surrounding landscape in perennial grassland. In contrast, the bee community in low grassland sites was dominated by Apis mellifera, suggesting that pollination in these landscapes may be more sensitive to declines in this species. Despite these differences, the level of sunflower pollination was similar across sites, even though the bee community responded to changes in landscape composition. Increasing grassland cover through the addition of perennial biofuel plantings would be expected to support a more diverse bee community and a greater abundance of bees, yielding reliable pollination services. (C) 2014 Elsevier B.V. All rights reserved. C1 [Bennett, Ashley B.] Michigan State Univ, Dept Entomol, E Lansing, MI 48824 USA. Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. RP Bennett, AB (reprint author), Michigan State Univ, Dept Entomol, 578 Wilson Rd, E Lansing, MI 48824 USA. EM abb@msu.edu FU U.S. DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; USDA-NIFA [2012-67009-20146] FX A special thanks to the participating landowners and Ben Werling who established our network of sites. Thanks to Ashley McNamara, Lindsey Pudlo, Jon Roney, and Laura Maihofer who provided invaluable field assistance and Jason Gibbs who provided bee identifications. This research was funded by the U.S. DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494) and by USDA-NIFA (grant 2012-67009-20146). NR 67 TC 14 Z9 14 U1 13 U2 96 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8809 EI 1873-2305 J9 AGR ECOSYST ENVIRON JI Agric. Ecosyst. Environ. PD AUG 1 PY 2014 VL 193 BP 1 EP 8 DI 10.1016/j.agee.2014.04.016 PG 8 WC Agriculture, Multidisciplinary; Ecology; Environmental Sciences SC Agriculture; Environmental Sciences & Ecology GA AK7OU UT WOS:000338618400001 ER PT J AU Oakes, M Baxter, L Long, TC AF Oakes, Michelle Baxter, Lisa Long, Thomas C. TI Evaluating the application of multipollutant exposure metrics in air pollution health studies SO ENVIRONMENT INTERNATIONAL LA English DT Review DE Multipollutant; Air pollution; Exposure; Health effects ID FINE PARTICULATE MATTER; PM SOURCE APPORTIONMENT; DAILY MORTALITY; UNITED-STATES; TIME-SERIES; RISK-ASSESSMENT; INTAKE FRACTION; QUALITY INDEX; SPATIAL VARIABILITY; HOSPITAL ADMISSIONS AB Background: Health effects associated with air pollution are typically evaluated using a single pollutant approach, yet people are exposed to mixtures consisting of multiple pollutants that may have independent or combined effects on human health. Development of exposure metrics that represent the multipollutant environment is important to understand the impact of ambient air pollution on human health. Objectives: We reviewed existing multipollutant exposure metrics to evaluate how they can be applied to understand associations between air pollution and health effects. Methods: We conducted a literature search using both targeted search terms and a relational search in Web of Science and PubMed in April and December 2013. We focused on exposure metrics that are constructed from ambient pollutant concentrations and can be broadly applied to evaluate air pollution health effects. Results: Multipollutant exposure metrics were identified in 57 eligible studies. Metrics reviewed can be categorized into broad pollutant grouping paradigms based on: 1) source emissions and atmospheric processes or 2) common health outcomes. Discussion: When comparing metrics, it is apparent that no universal exposure metric exists; each type of metric addresses different research questions and provides unique information on human health effects. Key limitations of these metrics include the balance between complexity and simplicity as well as the lack of an existing "gold standard" for multipollutant health effects and exposure. Conclusions: Future work on characterizing multipollutant exposure error and joint effects will inform development of improved multipollutant metrics to advance air pollution health effects research and human health risk assessment. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Oakes, Michelle] Oak Ridge Inst Sci & Educ, Oak Ridge Natl Labs, Oak Ridge, TN USA. [Oakes, Michelle; Long, Thomas C.] US EPA, Off Res & Dev, Natl Ctr Environm Assessment, Res Triangle Pk, NC 27711 USA. [Baxter, Lisa] US EPA, Off Res & Dev, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA. RP Oakes, M (reprint author), US EPA, 109 TW Alexander Dr,Mail Drop B-243-01, Res Triangle Pk, NC 27711 USA. FU U.S. Environmental Protection Agency Office of Research and Development FX The authors wish to give special thanks to Mr. Ryan Jones and Ms. Danielle Moore of the National Center for Environmental Assessment for their assistance in designing and conducting the literature review. The authors also wish to thank Dr. Steven J. Dutton, Dr. Thomas Luben, and Dr. Kathie L Dionisio for their helpful comments in review of this manuscript. MMO was supported by an appointment to the Research Participation Program of the U.S. Environmental Protection Agency Office of Research and Development administered by the Oak Ridge Institute for Science and Education (ORISE). NR 74 TC 17 Z9 19 U1 9 U2 57 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0160-4120 EI 1873-6750 J9 ENVIRON INT JI Environ. Int. PD AUG PY 2014 VL 69 BP 90 EP 99 DI 10.1016/j.envint.2014.03.030 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA AK7GM UT WOS:000338596600009 PM 24815342 ER PT J AU Collin, BP AF Collin, Blaise P. TI Modeling and analysis of UN TRISO fuel for LWR application using the PARFUME code SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID RELEASE AB The Idaho National Laboratory (INL) PARFUME (PARticle FUel ModEl) code was used to assess the overall fuel performance of uranium nitride (UN) tristructural isotropic (TRISO) ceramic fuel under irradiation conditions typical of a Light Water Reactor (LWR). The dimensional changes of the fuel particle layers and kernel were calculated, including the formation of an internal gap. The survivability of the UN TRISO particle was estimated depending on the strain behavior of the constituent materials at high fast fluence and burn-up. For nominal cases, internal gas pressure and representative thermal profiles across the kernel and layers were determined along with stress levels in the inner and outer pyrolytic carbon (IPyC/OPyC) and silicon carbide (SiC) layers. These parameters were then used to evaluate fuel particle failure probabilities. Results of the study show that the survivability of UN TRISO fuel under LWR irradiation conditions might only be guaranteed if the kernel and PyC swelling rates are limited at high fast fluence and burn-up. These material properties have large uncertainties at the irradiation levels expected to be reached by UN TRISO fuel in LWRs. Therefore, a large experimental effort would be needed to establish material properties, including kernel and PyC swelling rates, under these conditions before definitive conclusions can be drawn on the behavior of UN TRISO fuel in LWRs. (C) 2014 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Collin, BP (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM blaise.collin@inl.gov OI Collin, Blaise/0000-0002-1128-7399 FU US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. NR 16 TC 3 Z9 3 U1 2 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 65 EP 77 DI 10.1016/j.jnucmat.2014.03.032 PG 13 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600009 ER PT J AU Dinh, LN McCall, SK Saw, CK Haschke, JM Allen, PG McLean, W AF Dinh, L. N. McCall, S. K. Saw, C. K. Haschke, J. M. Allen, P. G. McLean, W., II TI The plutonium-hydrogen reaction: SEM characterization of product morphology SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NUCLEATION AB The product morphology of the hydrogen reaction with plutonium near the visibly observable reaction front, which separates the hydrided zone from the unreacted metal zone, has been investigated by scanning electron microscopy (SEM). Results indicate the existence of a mixed phase of metal and metal hydride, located some 20-30 mu m ahead of the visibly hydrided-zone. The mixed phase regions are often located next to a grain boundary network and exhibit rays of hydride advancing toward the unreacted metal regions. Analysis indicates that hydrogen transport and therefore the hydriding reaction are preferable along the grain boundary network and defects in the metal structure rather than through a homogeneous intragrain reaction. Product fracture and formation of small hydride particles during hydriding are likely results of such inhomogeneous growth. (C) 2014 Elsevier B.V. All rights reserved. C1 [Dinh, L. N.; McCall, S. K.; Saw, C. K.; Haschke, J. M.; Allen, P. G.; McLean, W., II] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Dinh, LN (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,Mail Stop L-091, Livermore, CA 94551 USA. EM Dinh1@llnl.gov RI McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 FU U.S. Department of Energy [DE-AC52-07NA27344] FX We would like to acknowledge the expertise of Robert Erler for the SEM work, the technical assistance of Rory Gollott in Pu handling, and the many illuminating discussions with Dr. W.J. Siekhaus on the subject of actinide hydriding. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 16 TC 4 Z9 4 U1 1 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 143 EP 146 DI 10.1016/j.jnucmat.2014.03.058 PG 4 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600019 ER PT J AU Huang, ZJ Harris, A Maloy, SA Hosemann, P AF Huang, Zijing Harris, Adrian Maloy, Stuart A. Hosemann, Peter TI Nanoindentation creep study on an ion beam irradiated oxide dispersion strengthened alloy SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ODS STEELS; HARDNESS; OXIDATION AB Oxide dispersion strengthened (ODS) alloys are considered advanced structural materials for nuclear application due to their radiation tolerance and creep resistance. Ion beam irradiation is used to study the property changes due to displacement damage. In this work 1 dpa displacement damage in an ODS was produced followed by a nanoindentation creep study at temperatures up to 600 degrees C to evaluate the changes in mechanical properties due to irradiation. Converted yield strength (YS) and creep related parameters are reported. (C) 2014 Elsevier B.V. All rights reserved. C1 [Huang, Zijing] Xiamen Univ, Sch Energy Res, Amoy, Fujian, Peoples R China. [Huang, Zijing; Hosemann, Peter] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Harris, Adrian] Micro Mat Ltd, Wrexham, Wales. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hosemann, P (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM peterh@berkeley.edu RI Maloy, Stuart/A-8672-2009; OI Maloy, Stuart/0000-0001-8037-1319; Hosemann, Peter/0000-0003-2281-2213 NR 28 TC 12 Z9 12 U1 3 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 162 EP 167 DI 10.1016/j.jnucmat.2014.03.036 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600022 ER PT J AU Wiss, T Hiernaut, JP Roudil, D Colle, JY Maugeri, E Talip, Z Janssen, A Rondinella, V Konings, RJM Matzke, HJ Weber, WJ AF Wiss, Thierry Hiernaut, Jean-Pol Roudil, Daniele Colle, Jean-Yves Maugeri, Emilio Talip, Zeynep Janssen, Arne Rondinella, Vincenzo Konings, Rudy J. M. Matzke, Hans-Joachim Weber, William J. TI Evolution of spent nuclear fuel in dry storage conditions for millennia and beyond SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SELF-RADIATION DAMAGE; UO2 SINGLE-CRYSTALS; URANIUM-DIOXIDE; THERMAL-CONDUCTIVITY; GEOLOGICAL DISPOSAL; POWDER DIFFRACTION; LATTICE-DEFECTS; GAS-RELEASE; BURN-UP; HELIUM AB Significant amounts of spent uranium dioxide nuclear fuel are accumulating worldwide from decades of commercial nuclear power production. While such spent fuel is intended to be reprocessed or disposed in geologic repositories, out-of-reactor radiation damage from alpha decay can be detrimental to its structural stability. Here we report on an experimental study in which radiation damage in plutonium dioxide, uranium dioxide samples doped with short-lived alpha-emitters and urano-thorianite minerals have been characterized by XRD, transmission electron microscopy, thermal desorption spectrometry and hardness measurements to assess the long-term stability of spent nuclear fuel to substantial alpha-decay doses. Defect accumulation is predicted to result in swelling of the atomic structure and decrease in fracture toughness; whereas, the accumulation of helium will produce bubbles that result in much larger gaseous-induced swelling that substantially increases the stresses in the constrained spent fuel. Based on these results, the radiation-ageing of highly-aged spent nuclear fuel over more than 10,000 years is predicted. (C) 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.orgfiicenses/by-nc-nd/3.0/). C1 [Wiss, Thierry; Hiernaut, Jean-Pol; Colle, Jean-Yves; Maugeri, Emilio; Talip, Zeynep; Janssen, Arne; Rondinella, Vincenzo; Konings, Rudy J. M.; Matzke, Hans-Joachim] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany. [Roudil, Daniele] Commissariat Energie Atom & Energie Alternat, Ctr Marcoule, F-30207 Bagnols Sur Ceze, France. [Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Weber, William J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Wiss, T (reprint author), Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, POB 2340, D-76125 Karlsruhe, Germany. EM thierry.wiss@ec.europa.eu RI Weber, William/A-4177-2008; ROUDIL, Daniele/C-2450-2016 OI Weber, William/0000-0002-9017-7365; ROUDIL, Daniele/0000-0002-1456-5841 FU European Commission; European Commission in the sixth Framework Programme EURATOM IP NF-PRO; Materials Science of Actinides, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This work has been partly achieved within the Network of Excellence ACTINET, the European network for actinide sciences, supported by the European Commission and was partly funded by the European Commission in the sixth Framework Programme EURATOM IP NF-PRO. One of the authors (WJW) was supported as part of the Materials Science of Actinides, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences during the preparation of this manuscript. NR 71 TC 8 Z9 8 U1 0 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 198 EP 206 DI 10.1016/j.jnucmat.2014.03.055 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600026 ER PT J AU Glazoff, MV Hiromoto, R Tokuhiro, A AF Glazoff, Michael V. Hiromoto, Robert Tokuhiro, Akira TI Morphological analysis of zirconium nuclear fuel retaining rods braided with SiC: Quality assurance and defect identification SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCALOY-2; KINETICS AB In the after-Fukushima world, the stability of materials under extreme conditions is an important issue for the safety of nuclear reactors. Among the methods explored currently to improve zircaloys' thermal stability in off-normal conditions, using a protective coat of the SiC filaments is considered because silicon carbide is well known for its remarkable chemical inertness at high temperatures. A typical SiC fiber contains similar to 50,000 individual filaments of 5-10 mu M in diameter. In this paper, an effort was made to develop and apply mathematical morphology to the process of automatic defect identification in Zircaloy-4 rods braided with the protective layer of the silicon carbide filament. However, the issues of the braiding quality have to be addressed to ensure its full protective potential. We present the original mathematical morphology algorithms that allow solving this problem of quality assurance successfully. In nuclear industry, such algorithms are used for the first time, and could be easily generalized to the case of automated continuous monitoring for defect identification in the future. Published by Elsevier B.V. C1 [Glazoff, Michael V.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hiromoto, Robert; Tokuhiro, Akira] Univ Idaho, CAES, Dept Nucl Engn, Idaho Falls, ID 83401 USA. RP Glazoff, MV (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Michael.Glazoff@inl.gov NR 20 TC 2 Z9 2 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 216 EP 224 DI 10.1016/j.jnucmat.2014.03.056 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600029 ER PT J AU Andersson, DA Garcia, P Liu, XY Pastore, G Tonks, M Millett, P Dorado, B Gaston, DR Andrs, D Williamson, RL Martineau, RC Uberuaga, BP Stanek, CR AF Andersson, D. A. Garcia, P. Liu, X. -Y. Pastore, G. Tonks, M. Millett, P. Dorado, B. Gaston, D. R. Andrs, D. Williamson, R. L. Martineau, R. C. Uberuaga, B. P. Stanek, C. R. TI Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO2 +/- x: Implications for nuclear fuel performance modeling SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; URANIUM-DIOXIDE; ELECTRONIC-STRUCTURE; CHEMICAL DIFFUSION; POINT-DEFECTS; RE-SOLUTION; BASIS-SET; UO2 FUEL; RELEASE AB Based on density functional theory (DFT) and empirical potential calculations, the diffusivity of fission gas atoms (Xe) in UO2 nuclear fuel has been calculated for a range of non-stoichiometry (i.e. UO2 +/- x), under both out-of-pile (no irradiation) and in-pile (irradiation) conditions. This was achieved by first deriving expressions for the activation energy that account for the type of trap site that the fission gas atoms occupy, which includes the corresponding type of mobile cluster, the charge state of these defects and the chemistry acting as boundary condition. In the next step DFT calculations were used to estimate migration barriers and internal energy contributions to the thermodynamic properties and calculations based on empirical potentials were used to estimate defect formation and migration entropies (i.e. pre-exponentials). The diffusivities calculated for out-of-pile conditions as function of the UO2 +/- x non-stoichiometry were used to validate the accuracy of the diffusion models and the DFT calculations against available experimental data. The Xe diffusivity is predicted to depend strongly on the UO2 +/- x non-stoichiometry due to a combination of changes in the preferred Xe trap site and in the concentration of uranium vacancies enabling Xe diffusion, which is consistent with experiments. After establishing the validity of the modeling approach, it was used for studying Xe diffusion under in-pile conditions, for which experimental data is very scarce. The radiation-enhanced Xe diffusivity is compared to existing empirical models. Finally, the predicted fission gas diffusion rates were implemented in the BISON fuel performance code and fission gas release from a Rise) fuel rod irradiation experiment was simulated. (C) 2014 Elsevier B.V. All rights reserved. C1 [Andersson, D. A.; Liu, X. -Y.; Uberuaga, B. P.; Stanek, C. R.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Dorado, B.] CEA, DAM, DIF, F-91297 Arpajon, France. [Garcia, P.] CEA, DEN, DEC, Ctr Cadarache, F-13108 St Paul Les Durance, France. [Pastore, G.; Tonks, M.; Gaston, D. R.; Andrs, D.; Williamson, R. L.; Martineau, R. C.] Idaho Natl Lab, Fuel Modeling & Simulat Dept, Idaho Falls, ID 83415 USA. [Millett, P.] Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA. RP Andersson, DA (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS G755, Los Alamos, NM 87545 USA. EM andersson@lanl.gov RI Albe, Karsten/F-1139-2011 FU Department of Energy Nuclear Energy Advanced Modeling and Simulation program; MATAV Nuclear Ceramics Basic Research Program FX This work was funded by the Department of Energy Nuclear Energy Advanced Modeling and Simulation program. Work at CEA, DEN was supported by the MATAV Nuclear Ceramics Basic Research Program. We would like to thank A.F. Voter of Los Alamos National Laboratory for helpful discussions and interactions on the vibrational frequencies calculations. NR 111 TC 19 Z9 19 U1 3 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 225 EP 242 DI 10.1016/j.jnucmat.2014.03.041 PG 18 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600030 ER PT J AU Petit, L Szotek, Z Temmerman, WM Stocks, GM Svane, A AF Petit, L. Szotek, Z. Temmerman, W. M. Stocks, G. M. Svane, A. TI Effect of pressure on f-electron delocalization and oxidation in actinide dioxides SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SPIN-DENSITY APPROXIMATION; PLUTONIUM DIOXIDE; MOLECULAR-DYNAMICS; URANIUM-DIOXIDE; SYSTEMS; UO2; VALENCIES; WATER; PUO2 AB Using first principles calculations, we have investigated f-electron delocalization and oxidation in the actinide dioxides under pressure. Whilst UO2 is found on the verge of an insulator to metal transition at the equilibrium volume, increasingly larger pressures are required to delocalize f-electrons in NpO2, PuO2, and AmO2, respectively 49, 112, and 191 GPa. Compared to this broad range of pressures, the experimentally observed structural transitions, in all four dioxides, occur between 30 and 40 GPa, which leads us to conclude that the associated volume collapse is not due to f-electron delocalization. In contrast, oxidation of the dioxides is found to be linked to the degree off-electron localization, but it emerges that for naturally occurring pressures (<10 GPa), higher oxides only exist for UO2. (C) 2014 Elsevier B.V. All rights reserved. C1 [Petit, L.; Szotek, Z.; Temmerman, W. M.] SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. [Stocks, G. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Stocks, G. M.] Oak Ridge Natl Lab, Ctr Defect Phys, Oak Ridge, TN 37831 USA. [Svane, A.] Univ Aarhus, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. RP Petit, L (reprint author), SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. EM leon.petit@stfc.ac.uk RI Petit, Leon/B-5255-2008; Stocks, George Malcollm/Q-1251-2016 OI Stocks, George Malcollm/0000-0002-9013-260X FU Materials Sciences and Engineering Division of the Office of Basic Energy Science, U.S. Department of Energy; EPSRC FX The research of GMS was supported by the Materials Sciences and Engineering Division of the Office of Basic Energy Science, U.S. Department of Energy. The research of LP, ZS, and WMT was supported by EPSRC through a service level agreement with the Scientific Computing Department of STFC. This research used the computer resources of the National Energy Research Scientific Computing Center (NERSC) and the Danish Center for Scientific Computing (DCSC). NR 57 TC 0 Z9 0 U1 7 U2 37 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 313 EP 319 DI 10.1016/j.jnucmat.2014.03.057 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600039 ER PT J AU Oksiuta, Z Hosemann, P Vogel, SC Baluc, N AF Oksiuta, Z. Hosemann, P. Vogel, S. C. Baluc, N. TI Microstructure examination of Fe-14Cr ODS ferritic steels produced through different processing routes SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID FRACTURE CHARACTERISTICS; ALLOYS; TEMPERATURE; STRENGTH AB Various thermo-mechanical treatments were applied to refine and homogenise grain size and improve mechanical properties of hot-isostatically pressed (HIP) 14%Cr ODS ferritic steel. The grain size was reduced, improving mechanical properties, tensile strength and Charpy impact, however bimodal-like distribution was also observed. As a result, larger, frequently elongated grains with size above 1 mu m and refined, equiaxed grains with a diameter ranging from 250 to 500 nm. Neutron diffraction measurements revealed that for HIP followed by hydrostatic extrusion material the strongest fiber texture was observed oriented parallel to the extrusion direction. In comparison with hot rolling and hot pressing methods, this material exhibited promising mechanical properties: the ultimate tensile strength of 1350 MPa, yield strength of 1280 MPa, total elongation of 21.7% and Charpy impact energy of 5.8 J. Inferior Charpy impact energy of similar to 3.0J was measured for HIP and hot rolled material, emphasising that parameters of this manufacturing process still have to be optimised. As an alternative manufacturing route, due to the uniform microstructure and simplicity of the process, hot pressing might be a promising method for production of smaller parts of ODS ferritic steels. Besides, the ductile-to-brittle transition temperature of all thermo-mechanically treated materials, in comparison with as-HIPped ODS steel, was improved by more than 50%, the transition temperature ranging from 50 to 70 degrees C (323 and 343 K) remains still unsatisfactory. (C) 2014 Elsevier B.V. All rights reserved. C1 [Oksiuta, Z.] Bialystok Tech Univ, Bialystok, Poland. [Hosemann, P.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Vogel, S. C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Baluc, N.] EPFL, Ctr Rech Phys Plasmas, Assoc Euratom Confederat Suisse,PSI, CH-5232 Villigen, Switzerland. RP Oksiuta, Z (reprint author), Bialystok Tech Univ, Bialystok, Poland. EM z.oksiuta@pb.edu.pl OI Hosemann, Peter/0000-0003-2281-2213; Vogel, Sven C./0000-0003-2049-0361 FU European Communities; European Community [NMP-CT-2004-500253] FX The Paul Scherrer Institute is acknowledged for the overall use of the facilities. This work, supported by the European Communities under the contract of Association between EURATOM/Confederation Suisse, was carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. This work was also performed within the framework of the Integrated European Project "ExtreMat" (contract NMP-CT-2004-500253) with financial support by the European Community. It only reflects the view of the authors, and the European Community is not liable for any use of the information contained therein. The authors would like to thank also to Mr. P. Olier and W. Pachla from CEA-Saclay (France) and UNIPRESS (Poland) for their contribution to the preparation of the various investigated materials. NR 25 TC 6 Z9 6 U1 3 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 320 EP 327 DI 10.1016/j.jnucmat.2014.04.004 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600040 ER PT J AU Khatkhatay, F Jiao, L Jian, J Zhang, WR Jiao, ZJ Gan, J Zhang, HB Zhang, XH Wang, HY AF Khatkhatay, Fauzia Jiao, Liang Jian, Jie Zhang, Wenrui Jiao, Zhijie Gan, Jian Zhang, Hongbin Zhang, Xinghang Wang, Haiyan TI Superior corrosion resistance properties of TiN-based coatings on Zircaloy tubes in supercritical water SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIUM ALLOYS; TETRAGONAL PHASE; THIN-FILMS; ZRO2 FILM; NITRIDE; STABILITY; REACTOR; STRESS; TIALN AB Thin films of TiN and Ti0.35Al0.65N nanocomposite were deposited on polished Zircaloy-4 tubes. After exposure to supercritical water for 48 h, the coated tubes are remarkably intact, while the bare uncoated tube shows severe oxidation and breakaway corrosion. X-ray diffraction patterns, secondary electron images, backscattered electron images, and energy dispersive X-ray spectroscopy data from the tube surfaces and cross-sections show that a protective oxide, formed on the film surface, effectively prevents further oxidation and corrosion to the Zircaloy-4 tubes. This result demonstrates the effectiveness of thin film ceramics as protective coatings under extreme environments. (C) 2014 Elsevier B.V. All rights reserved. C1 [Khatkhatay, Fauzia; Jian, Jie; Wang, Haiyan] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Jiao, Liang; Zhang, Wenrui; Zhang, Xinghang; Wang, Haiyan] Texas A&M Univ, Mat Sci & Engn Program, College Stn, TX 77843 USA. [Jiao, Zhijie] Univ Michigan, Ann Arbor, MI 48109 USA. [Gan, Jian; Zhang, Hongbin] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Zhang, Xinghang] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. RP Wang, HY (reprint author), Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. EM wangh@ece.tamu.edu RI Wang, Haiyan/P-3550-2014; Zhang, Wenrui/D-1892-2015 OI Wang, Haiyan/0000-0002-7397-1209; Zhang, Wenrui/0000-0002-0223-1924 FU Idaho National Laboratory through Department of Energy (DOE); U.S. Department of Energy [DE-AC07-05ID14517] FX This work was funded by the Idaho National Laboratory through subcontract under the Department of Energy (DOE). This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. We also acknowledge the assistance from the University of Michigan High Temperature Corrosion Laboratory, where the supercritical water test was conducted. NR 24 TC 6 Z9 6 U1 8 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 346 EP 351 DI 10.1016/j.jnucmat.2014.04.010 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600043 ER PT J AU Huang, K Park, Y Zhou, L Coffey, KR Sohn, YH Sencer, BH Kennedy, JR AF Huang, K. Park, Y. Zhou, L. Coffey, K. R. Sohn, Y. H. Sencer, B. H. Kennedy, J. R. TI Effects of Cr and Ni on interdiffusion and reaction between U and Fe-Cr-Ni alloys SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZR FUEL; DIFFUSION AB Metallic U-alloy fuel cladded in steel has been examined for high temperature fast reactor technology wherein the fuel cladding chemical interaction is a challenge that requires a fundamental and quantitative understanding. In order to study the fundamental diffusional interactions between U with Fe and the alloying effect of Cr and Ni, solid-to-solid diffusion couples were assembled between pure U and Fe, Fe-15 wt.%Cr or Fe-15 wt.%Cr-15 wt.%Ni alloy, and annealed at high temperature ranging from 580 to 700 degrees C. The microstructures and concentration profiles that developed from the diffusion anneal were examined by scanning electron microscopy, and X-ray energy dispersive spectroscopy (XEDS), respectively. Thick U6Fe and thin UFe2 phases were observed to develop with solubilities: up to 2.5 at.% Ni in U-6(Fe,Ni), up to 20 at.%Cr in U(Fe, Cr)(2), and up to 7 at.%Cr and 14 at.% Ni in U(Fe, Cr, Ni)(2). The interdiffusion and reactions in the U vs. Fe and U vs. Fe-Cr-Ni exhibited a similar temperature dependence, while the U vs. Fe-Cr diffusion couples, without the presence of Ni, yielded greater activation energy for the growth of intermetallic phases - lower growth rate at lower temperature but higher growth rate at higher temperature. (C) 2014 Elsevier B.V. All rights reserved. C1 [Huang, K.; Park, Y.; Zhou, L.; Coffey, K. R.; Sohn, Y. H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci & Engn, Orlando, FL 32816 USA. [Sencer, B. H.; Kennedy, J. R.] Idaho Natl Lab, Fundamental Fuel Properties Dept, Nucl Fuel & Mat Div, Idaho Falls, ID 83415 USA. RP Sohn, YH (reprint author), Univ Cent Florida, Dept Mat Sci & Engn, 12760 Pegasus Dr,Engn 1 Bldg 40,Room 211, Orlando, FL 32816 USA. EM Yongho.Sohn@ucf.edu RI Sohn, Yongho/A-8517-2010; Zhou, Le/H-9531-2016 OI Sohn, Yongho/0000-0003-3723-4743; Zhou, Le/0000-0001-8327-6667 FU US Department of Energy under DOE-NE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the US Department of Energy under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. Accordingly, The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US Government purposes. NR 12 TC 2 Z9 2 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2014 VL 451 IS 1-3 BP 372 EP 378 DI 10.1016/j.jnucmat.2014.04.009 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AK7OW UT WOS:000338618600048 ER PT J AU Susner, MA Carnevale, SD Kent, TF Gerber, LM Phillips, PJ Sumption, MD Myers, RC AF Susner, M. A. Carnevale, S. D. Kent, T. F. Gerber, L. M. Phillips, P. J. Sumption, M. D. Myers, R. C. TI Catalyst-free ZnO nanowires on silicon by pulsed laser deposition with tunable density and aspect ratio SO PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES LA English DT Article DE ZnO; Nanowire; Pulsed laser deposition; Nanostructure ID THIN-FILMS; THERMAL EVAPORATION; GROWTH; PHOTOLUMINESCENCE; ARRAYS; ULTRAVIOLET; MGXZN1-XO; DEVICES; POWDERS; ROUTE AB ZnO nanostructures were grown on Si(1 1 1) via pulsed laser deposition. The morphology of the ZnO was tunable based on the pressure of the atmosphere during deposition: deposition in vacuum produced a thin film, deposition at intermediate pressures (75 mTorr) yielded nanoclusters of ZnO and deposition at higher pressures (> 250 mTorr) produced c-axis oriented nanowires. Through variation of the deposition temperature and pressure it was possible to control the nanowire density, height, and diameter. Room temperature photoluminescence spectroscopy reveals exciton to defect peak ratios greater than 100 suggesting much greater stoichiometry and reduced defect density than found in catalyst-formed ZnO nanowires. The evolution of the ZnO nanowire growth was examined through X-ray diffraction and electron microscopy. Using a two-step deposition procedure involving depositing a seed layer at a low temperature with further deposition at a higher temperature we were able to increase the height of the nanowires without increasing the diameter. These two-step structures were seen to come in two morphological forms - ZnO needles and porous, nested ZnO nanostructures. (C) 2014 Elsevier B.V. All rights reserved. C1 [Susner, M. A.; Carnevale, S. D.; Kent, T. F.; Gerber, L. M.; Sumption, M. D.; Myers, R. C.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Phillips, P. J.] Univ Illinois, Dept Phys, Chicago, IL 60657 USA. [Myers, R. C.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Carnevale, S. D.; Myers, R. C.] Ohio State Univ, Dept Elect & Comp Engn, Columbus, OH 43210 USA. RP Susner, MA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM susner.1@osu.edu RI Myers, Roberto/B-4431-2008; Susner, Michael/G-3275-2015; Susner, Michael/B-1666-2013; Sumption, Mike/N-5913-2016 OI Myers, Roberto/0000-0002-3695-2244; Susner, Michael/0000-0002-1211-8749; Susner, Michael/0000-0002-1211-8749; Sumption, Mike/0000-0002-4243-8380 FU National Science Foundation (NSF) [DMR-1055164]; Department of Energy Office of High Energy Physics; Ohio State University Institute for Materials Research; National Science Foundation [2011101708] FX This work was funded by National Science Foundation (NSF) career grant DMR-1055164 together with support from the Department of Energy Office of High Energy Physics and a seed grant from the Ohio State University Institute for Materials Research. Santino D. Carnevale additionally acknowledges the support of the National Science Foundation Graduate Research Fellowship 2011101708. The authors of this paper would like to thank Hendrik Colijn, Daniel Huber, and Cameron Begg of the Ohio State University Center for Electron Microscopy and Analysis (CEMAS) for their support and expertise. Finally, thanks to E.W. Collings for his enthusiasm, revisions, and support. NR 30 TC 6 Z9 6 U1 0 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1386-9477 EI 1873-1759 J9 PHYSICA E JI Physica E PD AUG PY 2014 VL 62 BP 95 EP 103 DI 10.1016/j.physe.2014.04.023 PG 9 WC Nanoscience & Nanotechnology; Physics, Condensed Matter SC Science & Technology - Other Topics; Physics GA AK7LG UT WOS:000338609200016 ER PT J AU Amrose, SE Bandaru, SRS Delaire, C van Genuchten, CM Dutta, A DebSarkar, A Orr, C Roy, J Das, A Gadgil, AJ AF Amrose, Susan E. Bandaru, Siva R. S. Delaire, Caroline van Genuchten, Case M. Dutta, Amit DebSarkar, Anupam Orr, Christopher Roy, Joyashree Das, Abhijit Gadgil, Ashok J. TI Electro-chemical arsenic remediation: Field trials in West Bengal SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE Electrocoagulation; Arsenic; India; Bangladesh; Field trial ID IRON ELECTROCOAGULATION; GROUNDWATER; REMOVAL; WATER AB Millions of people in rural South Asia are exposed to high levels of arsenic through groundwater used for drinking. Many deployed arsenic remediation technologies quickly fail because they are not maintained, repaired, accepted, or affordable. It is therefore imperative that arsenic remediation technologies be evaluated for their ability to perform within a sustainable and scalable business model that addresses these challenges. We present field trial results of a 600 L Electro-Chemical Arsenic Remediation (ECAR) reactor operating over 3.5 months in West Bengal. These results are evaluated through the lens of a community scale micro-utility business model as a potential sustainable and scalable safe water solution for rural communities in South Asia. We demonstrate ECAR's ability to consistently reduce arsenic concentrations of similar to 266 mu g/L to <5 mu g/L in real groundwater, simultaneously meeting the international standards for iron and aluminum in drinking water. ECAR operating costs (amortized capital plus consumables) are estimated as $0.83-$1.04/m(3) under realistic conditions. We discuss the implications of these results against the constraints of a sustainable and scalable business model to argue that ECAR is a promising technology to help provide a clean water solution in arsenic-affected areas of South Asia. (C) 2013 Elsevier B.V. All rights reserved. C1 [Amrose, Susan E.; Bandaru, Siva R. S.; Delaire, Caroline; van Genuchten, Case M.; Orr, Christopher; Gadgil, Ashok J.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Dutta, Amit; DebSarkar, Anupam] Jadavpur Univ, Dept Civil Engn, Kolkata 700032, India. [Roy, Joyashree] Jadavpur Univ, Dept Econ, Kolkata 700032, India. [Roy, Joyashree] Jadavpur Univ, Global Change Programme, Kolkata 700032, India. [Das, Abhijit] Kandi Raj Coll, Dept Econ, Murshidabad, W Bengal, India. [Gadgil, Ashok J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Amrose, SE (reprint author), Univ Calif Berkeley, 410 OBrien Hall, Berkeley, CA 94720 USA. EM susan.amrose@gmail.com OI Roy, Joyashree/0000-0002-9270-8860; Gadgil, Ashok/0000-0002-0357-9455; Orr, Christopher/0000-0003-2406-209X FU Richard C. Blum Center for Developing Economies; USEPA P3 Phase II award; Sustainable Products and Solutions Program at UC Berkeley; Marin-San Francisco Jewish Teen Foundation FX We gratefully acknowledge support for this work by The Richard C. Blum Center for Developing Economies, a USEPA P3 Phase II award, The Sustainable Products and Solutions Program at UC Berkeley, and the Marin-San Francisco Jewish Teen Foundation. The authors would like to extend thanks to many current and past student volunteers, as well as Pragya Gupta, Dinesh Mantri, Narendra Shenoy, Katya Cherukumilli, Dan Alvarado, Lauren Gruber, Jessica Jones, Anh Nguyen, and Medford Xie. We thank Dinesh Mantri and Narenda Shenoy particularly for their help with Fig. 2. We also thank the anonymous referees whose comments greatly improved this paper. NR 22 TC 4 Z9 4 U1 2 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 EI 1879-1026 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD AUG 1 PY 2014 VL 488 BP 543 EP 550 DI 10.1016/j.scitotenv.2013.11.074 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA AK7IA UT WOS:000338600800060 PM 24355249 ER PT J AU Buja, F Sumant, AV Kokorian, J van Spengen, WM AF Buja, Federico Sumant, Anirudha V. Kokorian, Jaap van Spengen, W. Merlijn TI Electrically conducting ultrananocrystalline diamond for the development of a next generation of micro-actuators SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE Ultrananocrystalline; Diamond; MEMS; Micro-electro mechanical system; Thermal actuator ID FILMS; MEMS; NANOTRIBOLOGY; MEMS/NEMS; COATINGS; GRAPHITE; PROBES; CARBON; WEAR AB The potential of ultrananocrystalline diamond (UNCD) as a structural material for complex micro-electro mechanical systems (MEMS) is enormous due to its excellent chemical, mechanical and electrical properties, but it has so far not been extensively explored, mostly due to intrinsic stress problems. We have fabricated, for the first time, an actuatable MEMS device based on nitrogen-incorporated ultrananocrystalline diamond (N-UNCD), which is electrically conducting and has low intrinsic stress gradient. We characterized the N-UNCD and verified its semiconducting nature by looking at its thermal and electrical properties. Fifteen pairs of oriented slender beams (from 90 to 200 mu m length) provide the driving force and are capable of generating a linear displacement on a central moving shuttle up to almost 2 mu m. An 'in-house' built optical-based detection system was used to assess the motion of the actuator, with an accuracy of 0.4 nm. These results pave the way for development of diamond-based MEMS technology that could be applicable in many fields, including bio-medicine, optics, and sensors and actuators for space applications, where precision displacement is demanded along with robust materials, as well as general applications that require sliding surfaces. (C) 2014 Elsevier B.V. All rights reserved. C1 [Buja, Federico; Kokorian, Jaap; van Spengen, W. Merlijn] Delft Univ Technol, Delft, Netherlands. [Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [van Spengen, W. Merlijn] Falco Syst, Amsterdam, Netherlands. RP Buja, F (reprint author), Delft Univ Technol, Dept Precis & Microsyst Engn, NL-2628 CD Delft, Netherlands. EM f.buja@tudelft.nl RI Kokorian, Jaap/G-4625-2015 OI Kokorian, Jaap/0000-0001-9147-5869 FU Dutch NWO-STW foundation in the 'Vidi' program [10771]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work has been financially sponsored by the Dutch NWO-STW foundation in the 'Vidi' program under ref no. 10771. The use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 40 TC 6 Z9 7 U1 4 U2 35 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD AUG 1 PY 2014 VL 214 BP 259 EP 266 DI 10.1016/j.sna.2014.04.042 PG 8 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA AK7KA UT WOS:000338606000031 ER PT J AU DeAngelis, AD Rougier, A Manaud, JP Labrugere, C Miller, EL Gaillard, N AF DeAngelis, Alexander D. Rougier, Aline Manaud, Jean-Pierre Labrugere, Christine Miller, Eric L. Gaillard, Nicolas TI Temperature-resistant high-infrared transmittance indium molybdenum oxide thin films as an intermediate window layer for multi-junction photovoltaics SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE IMO; CIGS; High temperature; High mobility thin films; Multi-junction cells; TCO ID TRANSPARENT CONDUCTING OXIDES; SOLAR-CELLS; OPTICAL-PROPERTIES; HYDROGEN AB For optimal performance, the intermediate window layer in multijunction photovoltaics should transmit as much light as possible to guarantee maximum device efficiency. In this work, we demonstrate that indium molybdenum oxide (IMO) is a more suitable intermediate layer, compared to indium tin oxide (ITO), as it would absorb significantly less infrared light with comparable electrical conductivity once integrated into a multijunction solar cell. In fact, we show that IMO optoelectronic properties are virtually unchanged by the typical thermal budgets used in solar absorber deposition processes used in low-cost high-performance multijunction photovoltaics (e.g. CuInGaSe2). Specifically, IMO and ITO thin films were reactively sputtered onto glass substrates at 150 degrees C, then subjected to a vacuum annealing process (550 degrees C, 2 h) identical to that of co-evaporated copper gallium diselenide (CGSe), a candidate material for the top absorber in multijunction cells. We found that annealing substantially reduces the infrared transmittance of ITO starting at 900 nm, reducing by 2.5% per 100 nm, while IMO only started experiencing a reduction at 1400 nm and decaying more slowly at 1.6% per 100 nm. Furthermore, the resistivity of IMO was comparable to that of ITO after annealing. The resilience of IMO to such high temperature processes show that it has potential to enhance the performance of multijunction devices. (C) 2014 Elsevier B.V. All rights reserved. C1 [DeAngelis, Alexander D.; Gaillard, Nicolas] Univ Hawaii, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. [Rougier, Aline; Manaud, Jean-Pierre] Univ Bordeaux, ICMCB, CNRS, UPR 9048, F-33600 Pessac, France. [Labrugere, Christine] Univ Bordeaux, ICMCB, CeCaMA, UPR 9048, F-33600 Pessac, France. [Miller, Eric L.] US DOE, Washington, DC 20585 USA. RP DeAngelis, AD (reprint author), Univ Hawaii, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. EM alex.d.deangelis@gmail.com RI Gaillard, Nicolas/M-3713-2016 FU United States Air Force Research Laboratory Space Vehicles Directorate as part of the Rapidly Deployable Solar Electricity and Fuel Sources program [FA9453-08-C0172] FX This research program was funded by the United States Air Force Research Laboratory Space Vehicles Directorate as part of the Rapidly Deployable Solar Electricity and Fuel Sources program (contract# FA9453-08-C0172). The authors wish to thank J. Clatot (LRCS, France) for his help in optical properties characterization and fruitful discussion. NR 17 TC 3 Z9 3 U1 2 U2 55 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD AUG PY 2014 VL 127 BP 174 EP 178 DI 10.1016/j.solmat.2014.04.029 PG 5 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AK7OQ UT WOS:000338618000025 ER PT J AU Rush, J Bellian, J Sullivan, C Marfurt, K Zeng, HL AF Rush, Jason Bellian, Jerome Sullivan, Charlotte Marfurt, Kurt Zeng, Hongliu TI Introduction to special section: Karst SO INTERPRETATION-A JOURNAL OF SUBSURFACE CHARACTERIZATION LA English DT Editorial Material C1 [Rush, Jason] Kansas Geol Survey, Lawrence, KS 66044 USA. [Bellian, Jerome] Whiting Petr Corp, Denver, CO USA. [Sullivan, Charlotte] Pacific NW Natl Lab, Richland, WA 99352 USA. [Marfurt, Kurt] Univ Oklahoma, Norman, OK 73019 USA. [Zeng, Hongliu] Univ Texas Austin, Bur Econ Geol, Austin, TX USA. RP Rush, J (reprint author), Kansas Geol Survey, Lawrence, KS 66044 USA. EM rush@kgs.ku.edu; jerry.bellian@whiting.com; charlotte.sullivan@pnnl.gov; kmarfurt@ou.edu; zengh@beg.utexas.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 2324-8858 EI 2324-8866 J9 INTERPRETATION-J SUB JI Interpretation PD AUG PY 2014 VL 2 IS 3 BP SFI EP SFII DI 10.1190/INT2014-0703-SPSEINTRO.1 PG 2 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CV4AJ UT WOS:000364207500003 ER PT J AU Wu, YW Tang, YH Tringe, SG Simmons, BA Singer, SW AF Wu, Yu-Wei Tang, Yung-Hsu Tringe, Susannah G. Simmons, Blake A. Singer, Steven W. TI MaxBin: an automated binning method to recover individual genomes from metagenomes using an expectation-maximization algorithm SO MICROBIOME LA English DT Article DE Binning; Metagenomics; Expectation-maximization algorithm ID THERMOPHILIC BACTERIAL CONSORTIA; DE-NOVO ASSEMBLER; SORANGIUM-CELLULOSUM; HUMAN MICROBIOME; COMMUNITY; SEQUENCES; READS; METABOLISM; ALIGNMENT; RECONSTRUCTION AB Background: Recovering individual genomes from metagenomic datasets allows access to uncultivated microbial populations that may have important roles in natural and engineered ecosystems. Understanding the roles of these uncultivated populations has broad application in ecology, evolution, biotechnology and medicine. Accurate binning of assembled metagenomic sequences is an essential step in recovering the genomes and understanding microbial functions. Results: We have developed a binning algorithm, MaxBin, which automates the binning of assembled metagenomic scaffolds using an expectation-maximization algorithm after the assembly of metagenomic sequencing reads. Binning of simulated metagenomic datasets demonstrated that MaxBin had high levels of accuracy in binning microbial genomes. MaxBin was used to recover genomes from metagenomic data obtained through the Human Microbiome Project, which demonstrated its ability to recover genomes from real metagenomic datasets with variable sequencing coverages. Application of MaxBin to metagenomes obtained from microbial consortia adapted to grow on cellulose allowed genomic analysis of new, uncultivated, cellulolytic bacterial populations, including an abundant myxobacterial population distantly related to Sorangium cellulosum that possessed a much smaller genome (5 MB versus 13 to 14 MB) but has a more extensive set of genes for biomass deconstruction. For the cellulolytic consortia, the MaxBin results were compared to binning using emergent self-organizing maps (ESOMs) and differential coverage binning, demonstrating that it performed comparably to these methods but had distinct advantages in automation, resolution of related genomes and sensitivity. Conclusions: The automatic binning software that we developed successfully classifies assembled sequences in metagenomic datasets into recovered individual genomes. The isolation of dozens of species in cellulolytic microbial consortia, including a novel species of myxobacteria that has the smallest genome among all sequenced aerobic myxobacteria, was easily achieved using the binning software. This work demonstrates that the processes required for recovering genomes from assembled metagenomic datasets can be readily automated, an important advance in understanding the metabolic potential of microbes in natural environments. MaxBin is available at https://sourceforge.net/projects/maxbin/. C1 [Wu, Yu-Wei; Tang, Yung-Hsu; Simmons, Blake A.; Singer, Steven W.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Wu, Yu-Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Tang, Yung-Hsu] City Coll San Francisco, San Francisco, CA 94112 USA. [Tringe, Susannah G.] Joint Genome Inst, Walnut Creek, CA 94598 USA. [Tringe, Susannah G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. RP Wu, YW (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM ywwei@lbl.gov OI Tringe, Susannah/0000-0001-6479-8427 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Tijana Glavina Del Rio and Stephanie Malfatti of the Joint Genome for their assistance in obtaining metagenomic sequencing data, and Jeffery Kimbrel of the Joint BioEnergy Institute for his valuable comments on the development of MaxBin software package. We also thank Dr. C. Titus Brown and another anonymous reviewer for their valuable suggestions and comments, which greatly enhanced the quality of this manuscript. This work was performed as part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. Portions of this work were performed by Y. H. T. as part of the Biotechnology Program at City College of San Francisco (https://sites.google.com/site/ccsfbiotechnology/). Metagenomic sequencing was conducted by the Joint Genome Institute which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 59 TC 45 Z9 45 U1 3 U2 20 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 2049-2618 J9 MICROBIOME JI Microbiome PD AUG 1 PY 2014 VL 2 AR 26 DI 10.1186/2049-2618-2-26 PG 18 WC Microbiology SC Microbiology GA CU0GR UT WOS:000363194600001 PM 25136443 ER PT J AU Chapman, DA Kraus, D Kritcher, AL Bachmann, B Collins, GW Falcone, RW Gaffney, JA Gericke, DO Glenzer, SH Guymer, TM Hawreliak, JA Landen, OL Le Pape, S Ma, T Neumayer, P Nilsen, J Pak, A Redmer, R Swift, DC Vorberger, J Doppner, T AF Chapman, D. A. Kraus, D. Kritcher, A. L. Bachmann, B. Collins, G. W. Falcone, R. W. Gaffney, J. A. Gericke, D. O. Glenzer, S. H. Guymer, T. M. Hawreliak, J. A. Landen, O. L. Le Pape, S. Ma, T. Neumayer, P. Nilsen, J. Pak, A. Redmer, R. Swift, D. C. Vorberger, J. Doeppner, T. TI Simulating x-ray Thomson scattering signals from high-density, millimetre-scale plasmas at the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article ID LASER-PRODUCED PLASMAS; HYDRA SIMULATIONS; MIXTURES; BALANCE; CARBON; STATE AB We have developed a model for analysing x-ray Thomson scattering data from high-density, millimetre-scale inhomogeneous plasmas created during ultra-high pressure implosions at the National Ignition Facility in a spherically convergent geometry. The density weighting of the scattered signal and attenuation of the incident and scattered x-rays throughout the target are included using radial profiles of the density, opacity, ionization state, and temperature provided by radiation-hydrodynamics simulations. These simulations show that the scattered signal is strongly weighted toward the bulk of the shocked plasma and the Fermi degenerate material near the ablation front. We show that the scattered signal provides a good representation of the temperature of this highly nonuniform bulk plasma and can be determined to an accuracy of ca. 15% using typical data analysis techniques with simple 0D calculations. On the other hand, the mean ionization of the carbon in the bulk is underestimated. We suggest that this discrepancy is due to the convolution of scattering profiles from different regions of the target. Subsequently, we discuss modifications to the current platform to minimise the impact of inhomogeneities, as well as opacity, and also to enable probing of conditions more strongly weighted toward the compressed core. C1 [Chapman, D. A.; Guymer, T. M.] AWE plc, Radiat Phys Dept, Plasma Phys Grp, Reading RG7 4PR, Berks, England. [Chapman, D. A.; Gericke, D. O.] Univ Warwick, Ctr Fusion Space & Astrophys, Coventry CV4 7AL, W Midlands, England. [Kraus, D.; Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kritcher, A. L.; Bachmann, B.; Collins, G. W.; Gaffney, J. A.; Hawreliak, J. A.; Landen, O. L.; Le Pape, S.; Ma, T.; Nilsen, J.; Pak, A.; Swift, D. C.; Doeppner, T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Glenzer, S. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94309 USA. [Neumayer, P.] Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. [Redmer, R.] Univ Rostock, Inst Phys, D-18051 Rostock, Germany. [Vorberger, J.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. RP Chapman, DA (reprint author), AWE plc, Radiat Phys Dept, Plasma Phys Grp, Reading RG7 4PR, Berks, England. EM david.chapman@awe.co.uk RI lepape, sebastien/J-3010-2015; Vorberger, Jan/D-9162-2015 FU Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; Laboratory Directed Research and Development (LDRD) [11-ER-050, 13-ERD-073]; Joint High Energy Density Laboratory Plasmas Program - Office of Science, Office of Fusion Energy Sciences and the National Nuclear Security Administration, Defence Programs. [DE-NA0001859]; Deutsche Forschungsgemeinschaft (DFG) [SFB 652] FX This work was performed with the assistance of Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344 and supported by Laboratory Directed Research and Development (LDRD) Grant Nos. 11-ER-050 and 13-ERD-073. R.W.F. and D.K. acknowledge support from the Joint High Energy Density Laboratory Plasmas Program under Grant No. DE-NA0001859, funded by the Office of Science, Office of Fusion Energy Sciences and the National Nuclear Security Administration, Defence Programs. R.R. acknowledges support from the Deutsche Forschungsgemeinschaft (DFG) via SFB 652. NR 83 TC 9 Z9 9 U1 3 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2014 VL 21 IS 8 AR 082709 DI 10.1063/1.4893146 PG 14 WC Physics, Fluids & Plasmas SC Physics GA AQ4IZ UT WOS:000342760600096 ER PT J AU Seshadhri, C Pinar, A Kolda, TG AF Seshadhri, C. Pinar, Ali Kolda, Tamara G. TI Wedge Sampling for Computing Clustering Coefficients and Triangle Counts on Large Graphs SO STATISTICAL ANALYSIS AND DATA MINING LA English DT Article DE triangle counting; clustering coefficients; directed triangles; triangle characteristics; wedge sampling ID STREAMING ALGORITHMS; WORLD; NETWORKS AB Graphs are used to model interactions in a variety of contexts, and there is a growing need to quickly assess the structure of such graphs. Some of the most useful graph metrics are based on triangles, such as those measuring social cohesion. Algorithms to compute them can be extremely expensive, even for moderately sized graphs with only millions of edges. Previous work has considered node and edge sampling; in contrast, we consider wedge sampling, which provides faster and more accurate approximations than competing techniques. Additionally, wedge sampling enables estimating local clustering coefficients, degree-wise clustering coefficients, uniform triangle sampling, and directed triangle counts. Our methods come with provable and practical probabilistic error estimates for all computations. We provide extensive results that show our methods are both more accurate and faster than state-of-the-art alternatives. (C) 2014 Wiley Periodicals, Inc. C1 [Seshadhri, C.; Pinar, Ali; Kolda, Tamara G.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Pinar, A (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM apinar@sandia.gov NR 36 TC 3 Z9 3 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1932-1864 EI 1932-1872 J9 STAT ANAL DATA MIN JI Stat. Anal. Data Min. PD AUG PY 2014 VL 7 IS 4 BP 294 EP 307 DI 10.1002/sam.11224 PG 14 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications; Statistics & Probability SC Computer Science; Mathematics GA CV3UM UT WOS:000364191700006 ER PT J AU Song, GL Shi, ZM AF Song, Guang-Ling Shi, Zhiming TI Corrosion mechanism and evaluation of anodized magnesium alloys SO CORROSION SCIENCE LA English DT Article DE Magnesium; EIS; Polarization; Anodic film ID AZ31 MG ALLOY; PLASMA ELECTROLYTIC OXIDATION; MICRO-ARC OXIDATION; PERMANGANATE CONVERSION COATINGS; SIMULATED BODY-FLUIDS; ALKALINE-SOLUTIONS; SURFACE-TREATMENT; ALUMINUM-ALLOYS; PURE MAGNESIUM; RESISTANCE AB The corrosion of anodized Mg alloys is investigated by means of immersion, salt spray, polarization curve, AC electrochemical impedance spectroscopy (EIS), SEM and optical microscopy analyses. Based on the blocking, retarding and passivating effects of an anodized coating on corrosion of Mg alloys, a corrosion model is proposed to illustrate the corrosion reaction at the coating/substrate interface in coating through-pores. It is found that EIS can sensitively respond to the occurrence of corrosion in anodized Mg alloys and reflect the protection performance of anodized coatings, which may be used as an in situ method of monitoring corrosion for anodized Mg alloys. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Song, Guang-Ling] Xiamen Univ, Coll Mat, Xiamen 361005, Fujian, Peoples R China. [Song, Guang-Ling; Shi, Zhiming] Univ Queensland, Brisbane, Qld 4072, Australia. RP Song, GL (reprint author), ORNL Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM guangling.song@gmail.com RI Song, Guang-Ling/D-9540-2013 OI Song, Guang-Ling/0000-0002-9802-6836 NR 66 TC 34 Z9 38 U1 13 U2 102 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X EI 1879-0496 J9 CORROS SCI JI Corrosion Sci. PD AUG PY 2014 VL 85 BP 126 EP 140 DI 10.1016/j.corsci.2014.04.008 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK4IM UT WOS:000338388100015 ER PT J AU Weng, HX Liu, HP Li, DW Ye, ML Pan, LH Xia, TH AF Weng, Huan-Xin Liu, Hui-Ping Li, De-Wang Ye, Mingli Pan, Lehua Xia, Tian-Hong TI An innovative approach for iodine supplementation using iodine-rich phytogenic food SO ENVIRONMENTAL GEOCHEMISTRY AND HEALTH LA English DT Review DE Iodine deficiency disease (IDD); Algae fertilizer; Iodine supplementation; Iodine fortification ID SPINACIA-OLERACEA L.; SOIL-PLANT SYSTEM; IODIZED SALT; IRRIGATION WATER; POTASSIUM-IODIDE; VEGETABLE PLANTS; SOLUTION CULTURE; DEFICIENCY; VOLATILIZATION; STABILITY AB Iodine, as one of the essential trace elements for human body, is very important for the proper function of thyroid gland. In some regions, people are still suffering from iodine deficiency disorder (IDD). How to provide an effective and cost-efficient iodine supplementation has been a public health issue for many countries. In this review, a novel iodine supplementation approach is introduced. Different from traditional iodine salt supplement, this approach innovatively uses cultivated iodine-rich phytogenic food as the supplement. These foods are cultivated using alga-based organic iodine fertilizer. The feasibility, mechanics of iodine absorption of plants from soil and the bioavailability of iodine-rich phytogenic food are further discussed. C1 [Weng, Huan-Xin; Liu, Hui-Ping; Li, De-Wang; Xia, Tian-Hong] Zhejiang Univ, Inst Environm & Biogeochem, Hangzhou 310027, Zhejiang, Peoples R China. [Ye, Mingli] Salk Inst Biol Studies, Jack H Skirball Ctr Chem Biol & Prote, La Jolla, CA 92037 USA. [Pan, Lehua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Weng, HX (reprint author), Zhejiang Univ, Inst Environm & Biogeochem, Hangzhou 310027, Zhejiang, Peoples R China. EM gswenghx@zju.edu.cn RI Pan, Lehua/G-2439-2015 FU National Science Foundation of China [40873058, 40373043] FX This work was supported by the National Science Foundation of China (40873058 and 40373043). NR 62 TC 6 Z9 7 U1 3 U2 29 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0269-4042 EI 1573-2983 J9 ENVIRON GEOCHEM HLTH JI Environ. Geochem. Health PD AUG PY 2014 VL 36 IS 4 BP 815 EP 828 DI 10.1007/s10653-014-9597-4 PG 14 WC Engineering, Environmental; Environmental Sciences; Public, Environmental & Occupational Health; Water Resources SC Engineering; Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Water Resources GA AK2GL UT WOS:000338237000015 PM 24504625 ER PT J AU Cantwell, MG Perron, MM Sullivan, JC Katz, DR Burgess, RM King, J AF Cantwell, Mark G. Perron, Monique M. Sullivan, Julia C. Katz, David R. Burgess, Robert M. King, John TI Assessing organic contaminant fluxes from contaminated sediments following dam removal in an urbanized river SO ENVIRONMENTAL MONITORING AND ASSESSMENT LA English DT Article DE Dam removal; Sediment resuspension; Contaminant release; Contaminant fluxes; Sediment trap; Passive samplers AB In this study, methods and approaches were developed and tested to assess changes in contaminant fluxes resulting from dam removal in a riverine system. Sediment traps and passive samplers were deployed to measure particulate and dissolved polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in the water column prior to and following removal of a small, low-head dam in the Pawtuxet River, an urbanized river located in Cranston, RI, USA. During the study, concentrations of particulate and dissolved PAHs ranged from 21.5 to 103 mu g/g and from 68 to 164 ng/L, respectively. Overall, temporal trends of PAHs showed no increases in either dissolved or particulate phases following removal of the dam. Dissolved concentrations of PCBs were very low, remaining below 1.72 ng/L at all sites. Particulate PCB concentrations across sites and time showed slightly greater variability, ranging from 80 to 469 ng/g, but with no indication that dam removal influenced any increases. Particulate PAHs and PCBs were sampled continuously at the site located below the dam and did not show sustained increases in concentration resulting from dam removal. The employment of passive sampling technology and sediment traps was highly effective in monitoring the concentrations and flux of contaminants moving through the river system. Variations in river flow had no effect on the concentration of contaminants in the dissolved or particulate phases, but did influence the flux rate of contaminants exiting the river. Overall, dam removal did not cause measurable sediment disturbance or increase the concentration or fluxes of dissolved or particulate PAHs and PCBs. This is due in large part to low volumes of impounded sediment residing above the dam and highly armored sediments in the river channel, which limited erosion. Results from this study will be used to improve methods and approaches that assess the short- and long-term impacts ecological restoration activities such as dam removal have on the release and transport of sediment-bound contaminants. C1 [Cantwell, Mark G.; Katz, David R.; Burgess, Robert M.] US EPA, Off Res & Dev, Narragansett, RI 02882 USA. [Perron, Monique M.] US EPA, Off Pesticide Program, Washington, DC 20460 USA. [Sullivan, Julia C.] Oak Ridge Inst Sci & Educ, Narragansett, RI 02882 USA. [King, John] Univ Rhode Isl, Grad Sch Oceanog, Narragansett, RI 02882 USA. RP Cantwell, MG (reprint author), US EPA, Off Res & Dev, Narragansett, RI 02882 USA. EM cantwell.mark@epa.gov FU U.S. Department of Energy; EPA; National Institute of Health via Brown University; National Research Council via U.S. EPA; U.S. Environmental Protection Agency FX The authors thank Drs. Diane Nacci, Peg Pelletier, and Mr. Steven Rego for their technical reviews. This research was supported in part by an appointment to the Research Participation Program for the U.S. Environmental Protection Agency, Office of Research and Development, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. Dr. M.M. Perron was financially supported by postdoctoral positions with the National Institute of Health and the National Research Council funded via Brown University and U.S. EPA, respectively. Although research described in this article has been wholly funded by the U.S. Environmental Protection Agency and has been technically reviewed at the Atlantic Ecology Division, it has not been subjected to Agency-level review. Therefore, it does not necessarily reflect the views of the Agency. This manuscript is contribution number ORD-005438 of the Atlantic Ecology Division of the United States Environmental Protection Agency, Office of Research and Development, National Health Effects Environmental Research Laboratory. Mention of trade names does not constitute endorsement or recommendation for use. NR 30 TC 7 Z9 7 U1 3 U2 52 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-6369 EI 1573-2959 J9 ENVIRON MONIT ASSESS JI Environ. Monit. Assess. PD AUG PY 2014 VL 186 IS 8 BP 4841 EP 4855 DI 10.1007/s10661-014-3742-5 PG 15 WC Environmental Sciences SC Environmental Sciences & Ecology GA AK2UR UT WOS:000338275500016 PM 24729181 ER PT J AU Kim, SW Fowler, JS Skolnick, P Muench, L Kang, Y Shea, C Logan, J Kim, D Carter, P King, P Alexoff, D Volkow, ND AF Kim, Sung Won Fowler, Joanna S. Skolnick, Phil Muench, Lisa Kang, Yeona Shea, Colleen Logan, Jean Kim, Dohyun Carter, Pauline King, Payton Alexoff, David Volkow, Nora D. TI Therapeutic doses of buspirone block D3 receptors in the living primate brain SO INTERNATIONAL JOURNAL OF NEUROPSYCHOPHARMACOLOGY LA English DT Article DE Addiction; buspirone; dopamine receptors; 6'-hydroxybuspirone ID POSITRON-EMISSION-TOMOGRAPHY; DOPAMINE D-3 RECEPTOR; COCAINE-SEEKING BEHAVIOR; HIGH-AFFINITY STATE; FREELY MOVING RATS; IN-VIVO; ACTIVE METABOLITE; DRUG-ADDICTION; RHESUS-MONKEYS; BINDING AB Dopamine D-3 receptor (D3R) antagonists may be effective medications for multiple substance use disorders (SUDs). However, no selective D3R antagonists are currently available for clinical testing. Buspirone, originally characterized as a 5-HT1A partial agonist and used as an anxiolytic, also binds to D3R and D4R with high affinity, with lower affinity to D2R, and interferes with cocaine reward. Here we used PET with [C-11]PHNO (D3R-preferring radioligand), [C-11]raclopride (D2R/D3R radioligand) and [C-11]NNC-112 (D1R radioligand) to measure occupancy of oral and parenteral buspirone in the primate brain. Intramuscular buspirone (0.19 and 0.5 mg/kg) blocked both [C-11]PHNO and [C-11] raclopride binding to striatum, exhibiting high occupancy (50-85%) at 15 min and rapid wash-out over 2-6 h. In contrast, oral buspirone (3 mg/kg) significantly blocked [C-11]PHNO binding in D-3-rich regions (globus pallidum and midbrain) at 3 h, but had minimal effects on [C-11]raclopride binding (28-37% at 1 h and 10% at 3 h). Buspirone did not block [C-11]NNC-112. Our findings provide evidence that i.m. buspirone blocks D3R and D2R, whereas oral buspirone is more selective towards D3R blockade in vivo, consistent with extensive first pass metabolism and supporting the hypothesis that its metabolites (5- and 6'-hydroxybuspirone) merit evaluation for treating SUDs. They also indicate that for oral buspirone to achieve greater than 80% sustained D3R occupancy, as might be needed to treat addiction, higher doses (at least three-fold) than those used to treat anxiety (maximal 60 mg) will be required. Nonetheless, based on previous clinical studies, these doses would be safe and well tolerated. C1 [Kim, Sung Won; Muench, Lisa; Volkow, Nora D.] NIAAA, Lab Neuroimaging, Upton, NY USA. [Fowler, Joanna S.; Kang, Yeona; Shea, Colleen; Logan, Jean; Kim, Dohyun; Carter, Pauline; King, Payton; Alexoff, David] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Skolnick, Phil; Volkow, Nora D.] NIDA, Bethesda, MD 20892 USA. RP Volkow, ND (reprint author), NIDA, NIH, 6001 Execut Blvd Suite 5274,Mail Stop Code 9581, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov OI Logan, Jean/0000-0002-6993-9994 FU NIH Intramural Program of the National Institute National Institute on Alcohol Abuse and Alcoholism (NIAAA); Office Biological and Environmental Research of the U. S. Department of Energy [DE-AC02-98CH10886] FX The NIH Intramural Program of the National Institute on Alcohol Abuse and Alcoholism (NIAAA) supported this research. All experiments were performed at Brookhaven National Laboratory (BNL) with PET infrastructure supported from Office of Biological and Environmental Research of the U. S. Department of Energy (DE-AC02-98CH10886). We would like to thank Chunyang Jin and Kenneth Rehder (RTI International) for providing the PHNO precursor, and Dah Ren Hwang and Alan Wilson for helpful discussions on the [11C]PHNO synthesis. We also thank the BNL staff: Wenchao Qu, Michael Schueller, Donald Warner, Youwen Xu, Mingwei Wei, and Barbara Hubbard for cyclotron operations, radiotracer synthesis and PET operations and we thank Ruben Baler for editorial assistance. NR 66 TC 10 Z9 11 U1 0 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1461-1457 EI 1469-5111 J9 INT J NEUROPSYCHOPH JI Int. J. Neuropsychopharmacol. PD AUG PY 2014 VL 17 IS 8 BP 1257 EP 1267 DI 10.1017/S1461145714000194 PG 11 WC Clinical Neurology; Neurosciences; Pharmacology & Pharmacy; Psychiatry SC Neurosciences & Neurology; Pharmacology & Pharmacy; Psychiatry GA AK0JK UT WOS:000338098500013 PM 24679922 ER PT J AU Margolin, LG Andrews, MJ AF Margolin, Len G. Andrews, Malcolm J. TI Models for Crenulation of a Converging Shell SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB We describe two models for the growth of perturbations on the inner surface of a converging shell: one for a solid shell and one for a shell of incompressible fluid. We consider the cases of both cylindrically and spherically symmetric geometries. C1 [Margolin, Len G.; Andrews, Malcolm J.] Los Alamos Natl Lab, X Computat Phys Div, Los Alamos, NM 87545 USA. RP Margolin, LG (reprint author), Los Alamos Natl Lab, X Computat Phys Div, POB 1663, Los Alamos, NM 87545 USA. EM len@lanl.gov; mandrews@lanl.gov FU Los Alamos National Security, LLC [DE-AC52-06NA25396] FX This work was performed under the auspices of the U.S. Department of Energy's NNSA by the Los Alamos National Laboratory operated by Los Alamos National Security, LLC under Contract No. DE-AC52-06NA25396. The United States Government retains, and by accepting the article for publication, the publisher acknowledges that the United States Government retains, a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States government purposes. NR 11 TC 0 Z9 0 U1 0 U2 4 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD AUG PY 2014 VL 136 IS 8 AR 084501 DI 10.1115/1.4025868 PG 4 WC Engineering, Mechanical SC Engineering GA AK5ZZ UT WOS:000338507900014 ER PT J AU Brink, PL Anderson, AJ Balakishiyeva, D Bauer, DA Beaty, J Brandt, D Cabrera, B Chagani, H Cherry, M Cooley, J Silva, EDE Cushman, P Daal, M Doughty, T Figueroa-Feliciano, E Fritts, M Godfrey, G Golwala, SR Hall, J Harris, R Hertel, S Hines, BA Hsu, L Huber, ME Kamaev, O Kara, B Kenany, SA Leman, SW Mahapatra, R Mandic, V McCarthy, KA Mirabolfathi, N Novak, L Partridge, R Pyle, M Qiu, H Radpour, R Rau, W Reisetter, A Resch, R Saab, T Sadoulet, B Sander, J Schmitt, R Schnee, RW Scorza, S Seitz, DN Serfass, B Shank, B Tomada, A Villano, A Welliver, B Yen, JJ Young, BA Zhang, J AF Brink, P. L. Anderson, A. J. Balakishiyeva, D. Bauer, D. A. Beaty, J. Brandt, D. Cabrera, B. Chagani, H. Cherry, M. Cooley, J. do Couto e Silva, E. Cushman, P. Daal, M. Doughty, T. Figueroa-Feliciano, E. Fritts, M. Godfrey, G. Golwala, S. R. Hall, J. Harris, R. Hertel, S. Hines, B. A. Hsu, L. Huber, M. E. Kamaev, O. Kara, B. Kenany, S. A. Leman, S. W. Mahapatra, R. Mandic, V. McCarthy, K. A. Mirabolfathi, N. Novak, L. Partridge, R. Pyle, M. Qiu, H. Radpour, R. Rau, W. Reisetter, A. Resch, R. Saab, T. Sadoulet, B. Sander, J. Schmitt, R. Schnee, R. W. Scorza, S. Seitz, D. N. Serfass, B. Shank, B. Tomada, A. Villano, A. Welliver, B. Yen, J. J. Young, B. A. Zhang, J. TI Detector Fabrication Yield for SuperCDMS Soudan SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Dark matter; Cryogenic detectors; Transition edge sensors ID GERMANIUM-CRYSTALS; CHARGE; GE AB The SuperCDMS collaboration is presently operating a 9 kg Ge payload at the Soudan Underground Laboratory in their direct search for dark matter. The Ge detectors utilize double-sided athermal phonon sensors with an interdigitated electrode structure (iZIPs) to reject near-surface electron-recoil events. These detectors each have a mass of 0.6 kg and were fabricated with photolithographic techniques. The detector fabrication advances required and the production yield encountered are described. C1 [Brink, P. L.; Brandt, D.; Cherry, M.; do Couto e Silva, E.; Godfrey, G.; Partridge, R.; Resch, R.; Tomada, A.] SLAC Natl Accelerator Lab KIPAC, Menlo Pk, CA 94025 USA. [Anderson, A. J.; Figueroa-Feliciano, E.; Hertel, S.; Leman, S. W.; McCarthy, K. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Balakishiyeva, D.; Saab, T.; Welliver, B.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Bauer, D. A.; Hall, J.; Hsu, L.; Schmitt, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Beaty, J.; Chagani, H.; Cushman, P.; Fritts, M.; Mandic, V.; Radpour, R.; Villano, A.; Zhang, J.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Cabrera, B.; Novak, L.; Shank, B.; Yen, J. J.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Cooley, J.; Kara, B.; Qiu, H.; Scorza, S.] So Methodist Univ, Dept Phys, Dallas, TX 75275 USA. [Daal, M.; Doughty, T.; Kenany, S. A.; Mirabolfathi, N.; Pyle, M.; Sadoulet, B.; Seitz, D. N.; Serfass, B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Golwala, S. R.] CALTECH, Pasadena, CA 91125 USA. [Harris, R.; Mahapatra, R.; Sander, J.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Hines, B. A.; Huber, M. E.] Univ Colorado, Dept Phys, Denver, CO 80217 USA. [Kamaev, O.; Rau, W.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Reisetter, A.] Univ Evansville, Dept Phys, Evansville, IN 47722 USA. [Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Brink, PL (reprint author), SLAC Natl Accelerator Lab KIPAC, Menlo Pk, CA 94025 USA. EM pbrink@slac.stanford.edu RI Pyle, Matt/E-7348-2015; Hall, Jeter/E-9294-2015 OI Pyle, Matt/0000-0002-3490-6754; FU Department of Energy; National Science Foundation FX This work is supported in part by the Department of Energy and the National Science Foundation. These iZIP detectors were fabricated in the Stanford Nanofabrication Facility, a member of the National Nanotechnology Infrastructure Network. NR 8 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 194 EP 200 DI 10.1007/s10909-014-1100-1 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800011 ER PT J AU Mirabolfathi, N Amman, M Faiez, D Luke, PN Martin, RD Rolla, JA Sadoulet, B Serfass, B Vetter, K AF Mirabolfathi, N. Amman, M. Faiez, D. Luke, P. N. Martin, R. D. Rolla, J. A. Sadoulet, B. Serfass, B. Vetter, K. TI Neganov-Luke Phonon Amplification in P-type Point Contact Detectors SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Neganov-Luke gain; P-type Point Contact; Low energy threshold; Phonon amplification AB The Cryogenic Dark Matter Search (CDMS) detectors measure ionization and athermal phonons in high purity germanium crystals to discriminate between nuclear recoils from dark matter candidates and radioactive backgrounds. In order to reach lower energy detection thresholds, the CDMSlite experiment operates the CDMS detectors with a larger voltage bias to increase the signal-to-noise ratio using the Neganov-Luke effect. Breakdown in those detectors was observed at fields of order 30 V/cm, but the reason for the breakdown is unknown. It is unclear if the breakdowns are due to surface leakage current, impact ionization in the bulk of the crystals, or some other effect due to the very low operating temperatures of the detectors. Germanium detectors used in gamma spectroscopy at 77 K are regularly operated with fields in excess of 1,000 V/cm. In order to understand the origin of breakdown in the CDMS detectors, a P-type Point Contact detector was equipped with transition edge phonon thermistors and operated at a base temperature of 30 mK. The linearity of the Neganov-Luke phonon amplification was studied and no sign of breakdown for biases up to 400 V was observed. This excludes impact ionization on neutral impurity states as the primary cause of the breakdown observed in the CDMSLite detectors. This demonstrates that the Neganov-Luke phonon amplification is a viable method for lowering the energy threshold in germanium detectors of masses of order 1 kg. C1 [Mirabolfathi, N.; Faiez, D.; Rolla, J. A.; Sadoulet, B.; Serfass, B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Amman, M.; Luke, P. N.; Martin, R. D.; Sadoulet, B.; Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Martin, R. D.] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. RP Mirabolfathi, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM mirabol@berkeley.edu FU US Department of Energy; National Science Foundation FX This Work was partially supported by US Department of Energy and National Science Foundation. NR 10 TC 1 Z9 1 U1 0 U2 4 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 209 EP 215 DI 10.1007/s10909-013-1050-z PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800013 ER PT J AU Carpenter, MH Friedrich, S Hall, JA Harris, J Cantor, R AF Carpenter, M. H. Friedrich, S. Hall, J. A. Harris, J. Cantor, R. TI Development of Ta-based STJ X-ray Detector Arrays for Synchrotron Science SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE X-ray absorption spectroscopy; X-ray detectors; Superconducting tunnel junctions; Adiabatic demagnetization refrigerator ID EDGE SPECTROSCOPY; SPECTROMETERS AB We are developing a cryogen-free Ta-based superconducting tunnel junction (STJ) detector for soft X-ray spectroscopy at synchrotrons. With an energy resolution 10 times higher than conventional solid-state X-ray detectors and count-rate capabilities above 5 kHz/pixel, STJ detectors offer potentially increased sensitivity for fluorescence-yield X-ray absorption spectroscopy (FY-XAS). We have developed 36-pixel arrays of 208 208 m Ta STJs with an energy resolution of 9 eV FWHM at the 525 eV oxygen K line. Compared to earlier Nb-based STJs, Ta-STJs offer improved energy resolution and absorption efficiency and extend the operating range to several keV. Here we describe the integration of the 36-pixel arrays into a cryogen-free, user-friendly X-ray spectrometer. A computer-controlled adiabatic demagnetization refrigerator coupled to a two-stage pulse tube refrigerator allows operation below 100 mK. The detector chip is located at the end of a 42 cm shielded snout for insertion into the analysis chamber. The system is currently being commissioned at the Advanced Light Source synchrotron. C1 [Carpenter, M. H.; Hall, J. A.; Cantor, R.] STAR Cryoelect, Santa Fe, NM 87508 USA. [Carpenter, M. H.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Carpenter, M. H.; Friedrich, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Harris, J.] XIA LLC, Hayward, CA 94544 USA. RP Carpenter, MH (reprint author), STAR Cryoelect, 25 Bisbee Ct Ste A, Santa Fe, NM 87508 USA. EM mcarpenter@starcryo.com; rcantor@starcryo.com FU Department of Energy [DE-SC0004359, DE-SC0006214]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We would like to thank Steve Boyd from University of New Mexico for growing the ADR FAA salt pills and feedback on the detector magnet coil design. We acknowledge support from the Department of Energy under grants DE-SC0004359 and DE-SC0006214. Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 16 TC 3 Z9 3 U1 1 U2 10 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 222 EP 227 DI 10.1007/s10909-014-1172-y PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800015 ER PT J AU Wang, G Yefremenko, V Chang, CL Mehl, J Novosad, V Pearson, J Divan, R Carlstrom, JE AF Wang, G. Yefremenko, V. Chang, C. L. Mehl, J. Novosad, V. Pearson, J. Divan, R. Carlstrom, J. E. TI A Mo/Au Bilayer Transition Edge Sensor Modified with Normal Metal Structures SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Superconductivity; Proximity effect; Transition edge sensor; Bolometer AB In this work, we explore a technical path to defining the normal-to-superconducting transition profile of a superconducting transition edge sensor (TES) using normal metal stripes on surface. The stripes modify the TES transition through the lateral proximity effect. We experimentally demonstrate that varying the width, thickness and spacing of the normal metal stripes alters the TES resistive transition profile as a function of temperature and current. C1 [Wang, G.; Yefremenko, V.; Chang, C. L.; Mehl, J.] Argonne Natl Lab, HEP, Argonne, IL 60439 USA. [Novosad, V.; Pearson, J.] Argonne Natl Lab, MSD, Argonne, IL 60439 USA. [Divan, R.] Argonne Natl Lab, CNM, Argonne, IL 60439 USA. [Carlstrom, J. E.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Wang, G (reprint author), Argonne Natl Lab, HEP, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gwang@anl.gov RI Novosad, V /J-4843-2015 FU Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-06CH11357]; NSF [ANT-0638937]; NSF Physics Frontier Center [PHY-1125897]; Kavli Foundation; Gordon and Betty Moore Foundation FX The work at Argonne National Laboratory, including the use of facility at the Center for Nanoscale Materials (CNM), was supported by Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy, under Contract No. DE-AC02-06CH11357. The work at the University of Chicago is supported by the NSF through Grant ANT-0638937 and the NSF Physics Frontier Center Grant PHY-1125897. It also receives generous support from the Kavli Foundation and the Gordon and Betty Moore Foundation. NR 17 TC 1 Z9 1 U1 1 U2 5 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 337 EP 343 DI 10.1007/s10909-013-1017-0 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800033 ER PT J AU George, EM Austermann, JE Beall, JA Becker, D Benson, BA Bleem, LE Carlstrom, JE Chang, CL Cho, HM Crites, AT Dobbs, MA Everett, W Halverson, NW Henning, JW Hilton, GC Holzapfel, WL Hubmayr, J Irwin, KD Li, D Lueker, M McMahon, JJ Mehl, J Montgomery, J Natoli, T Nibarger, JP Niemack, MD Novosad, V Ruhl, JE Sayre, JT Shirokoff, E Story, KT Wang, G Yefremenko, V Yoon, KW Young, E AF George, E. M. Austermann, J. E. Beall, J. A. Becker, D. Benson, B. A. Bleem, L. E. Carlstrom, J. E. Chang, C. L. Cho, H. -M. Crites, A. T. Dobbs, M. A. Everett, W. Halverson, N. W. Henning, J. W. Hilton, G. C. Holzapfel, W. L. Hubmayr, J. Irwin, K. D. Li, D. Lueker, M. McMahon, J. J. Mehl, J. Montgomery, J. Natoli, T. Nibarger, J. P. Niemack, M. D. Novosad, V. Ruhl, J. E. Sayre, J. T. Shirokoff, E. Story, K. T. Wang, G. Yefremenko, V. Yoon, K. W. Young, E. TI A Study of Al-Mn Transition Edge Sensor Engineering for Stability SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE TES; Frequency domain multiplexing; Stability; Bolometer; Al-Mn AB The stability of Al-Mn transition edge sensor (TES) bolometers is studied as we vary the engineered TES transition, heat capacity, and/or coupling between the heat capacity and TES. We present thermal structure measurements of each of the 39 designs tested. The data is accurately fit by a two-body bolometer model, which allows us to extract the basic TES parameters that affect device stability. We conclude that parameters affecting device stability can be engineered for optimal device operation, and present the model parameters extracted for the different TES designs. C1 [George, E. M.; Holzapfel, W. L.; Young, E.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Austermann, J. E.; Everett, W.; Halverson, N. W.; Henning, J. W.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Beall, J. A.; Becker, D.; Cho, H. -M.; Hilton, G. C.; Hubmayr, J.; Irwin, K. D.; Li, D.; Nibarger, J. P.; Niemack, M. D.; Yoon, K. W.] NIST, Boulder, CO 80305 USA. [Benson, B. A.; Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.; Crites, A. T.; Mehl, J.; Montgomery, J.; Natoli, T.; Story, K. T.] Univ Chicago, Enrico Fermi Inst, Dept Phys, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Mehl, J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Bleem, L. E.; Carlstrom, J. E.; Montgomery, J.; Natoli, T.; Story, K. T.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Carlstrom, J. E.; Chang, C. L.; Wang, G.; Yefremenko, V.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Carlstrom, J. E.; Crites, A. T.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Dobbs, M. A.] McGill Univ, Montreal, PQ, Canada. [Halverson, N. W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Lueker, M.; Shirokoff, E.] CALTECH, Pasadena, CA 91125 USA. [McMahon, J. J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Novosad, V.; Yefremenko, V.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Ruhl, J. E.; Sayre, J. T.] Case Western Reserve Univ, Cleveland, OH 44106 USA. RP George, EM (reprint author), Univ Calif Berkeley, 151 LeConte Hall, Berkeley, CA 94720 USA. EM lizinvt@berkeley.edu RI Holzapfel, William/I-4836-2015; Novosad, V /J-4843-2015 FU NSF [AST-0705302, ANT-0638937, PHY-0114422]; NIST Innovations in Measurement Science program; Natural Sciences and Engineering Research Council; Canadian Institute for Advanced Research; Canada Research Chairs program; Alfred P. Sloan Research Fellowship; Kavli Foundation; Gordon and Betty Moore Foundation; UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne); Argonne Center for Nanoscale Materials; [DE-AC02-06CH11357] FX Work at the University of Colorado is supported by the NSF through grant AST-0705302. Work at NIST is supported by the NIST Innovations in Measurement Science program. The McGill authors acknowledge funding from the Natural Sciences and Engineering Research Council, Canadian Institute for Advanced Research, and Canada Research Chairs program. MD acknowledges support from an Alfred P. Sloan Research Fellowship. Work at the University of Chicago is supported by grants from the NSF (awards ANT-0638937 and PHY-0114422), the Kavli Foundation, and the Gordon and Betty Moore Foundation. Work at Argonne National Lab is supported by UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne). Argonne, a U.S. Department of Energy Office of Science Laboratory, is operated under Contract No. DE-AC02-06CH11357. We acknowledge support from the Argonne Center for Nanoscale Materials. NR 11 TC 5 Z9 5 U1 2 U2 10 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 383 EP 391 DI 10.1007/s10909-013-0994-3 PG 9 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800040 ER PT J AU Miceli, A Cecil, TW Gades, L Quaranta, O AF Miceli, A. Cecil, T. W. Gades, L. Quaranta, O. TI Towards X-ray Thermal Kinetic Inductance Detectors SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Kinetic inductance detectors; X-ray; Thermal; Microcalorimeter AB Traditionally, kinetic inductance detectors (KIDs) have been thought of as non-equilibrium detectors, which detect the excess of quasiparticles from the absorbed photon. In this case, recombination of quasiparticles is the bottleneck that limits the quasiparticle lifetime. However, the response of a KID to an excess of quasiparticles from photon absorption gives a nearly identical response to the increase in quasiparticle density due to a temperature change. Thus, KIDs can be used as thermometers to detect the temperature rise in an absorber due to a thermalized X-ray photon. In this work, we present a working prototype of an X-ray thermal KID (i.e., TKID) using a tungsten silicide resonator with superconducting tantalum absorber on a silicon nitride membrane. Finally, we outline improvements for future designs. C1 [Miceli, A.; Cecil, T. W.; Gades, L.; Quaranta, O.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Miceli, A (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amiceli@aps.anl.gov NR 11 TC 3 Z9 3 U1 1 U2 9 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 497 EP 503 DI 10.1007/s10909-013-1033-0 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800057 ER PT J AU Tartari, A Belier, B Calvo, M Cammilleri, VD Monfardini, A Piat, M Prele, D Smoot, GF AF Tartari, A. Belier, B. Calvo, M. Cammilleri, V. D. Monfardini, A. Piat, M. Prele, D. Smoot, G. F. TI A mm-Wave Polarisation Analyser Using LEKIDs: Strategy and Preliminary Numerical Results SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Kinetic Inductance Detectors; Cosmic Microwave Background; Polarisation ID DETECTORS AB The context of this study is the development of polarisation sensitive detectors in view of future Cosmic Microwave Background experiments. Our goal is to demonstrate the possibility to make a mm-wave polarisation analyser at 150 GHz using Lumped Element Kinetic Inductance Detectors (LEKIDs). Although LEKIDs are very attractive for the relative ease of fabrication, they have an intrinsic optical response which is weakly polarisation-senstive, i.e. orthogonal linear polarisations are absorbed with comparable efficiencies (with a separation typically not exceeding few dB). To overcome this difficulty, we achieve a polarised response by means of small () superconducting Nb wire-grids. Each grid is deposited on the rear side of the 300 micron Si substrate, on which 20 nm Al resonators are patterned, so that each pixel may in principle respond as an independent polarisation analyser. Simulations show encouraging results, with a deep (-20 dB) rejection of the unwanted polarisation. Although what we present here is not yet a polarimeter, this pilot study allows us to address some relevant questions that may be crucial in view of a full polarimetric architecture development. In particular, our first prototypes will allow to assess the behaviour of small grids, the interaction between adjacent polarised pixels, and to choose the most suitable resonator geometry. What we present here are preliminary design results about devices which are currently being realised, and soon ready for optical response characterisation. C1 [Tartari, A.; Cammilleri, V. D.; Piat, M.; Prele, D.; Smoot, G. F.] Univ Paris Diderot, APC, CEA Irfu, Sorbonne Paris Cite,Observ Paris,CNRS IN2P3, F-75205 Paris 13, France. [Belier, B.; Cammilleri, V. D.] Univ Paris 11, IEF, Ctr Sci Orsay, F-91405 Orsay, France. [Calvo, M.; Monfardini, A.] CNRS, Inst Neel, F-38042 Grenoble, France. [Calvo, M.; Monfardini, A.] Univ Grenoble, Dpartement MCBT, F-38042 Grenoble, France. [Smoot, G. F.] LBNL, Berkeley, CA 94720 USA. RP Tartari, A (reprint author), Univ Paris Diderot, APC, CEA Irfu, Sorbonne Paris Cite,Observ Paris,CNRS IN2P3, 10 Rue Alice Domon & Leonie Duquet, F-75205 Paris 13, France. EM tartari@apc.univ-paris7.fr RI Tartari, Andrea/F-2600-2014 OI Tartari, Andrea/0000-0003-3082-138X FU UnivEarthS Labex program of Sorbonne Paris Cite [ANR-10-LABX-0023, ANR-11-IDEX-0005-02] FX We acknowledge the financial support from the UnivEarthS Labex program of Sorbonne Paris Cite (ANR-10-LABX-0023 and ANR-11-IDEX-0005-02). NR 7 TC 1 Z9 1 U1 3 U2 4 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 524 EP 529 DI 10.1007/s10909-013-1055-7 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800061 ER PT J AU Friedrich, S Harris, J Warburton, WK Carpenter, MH Hall, JA Cantor, R AF Friedrich, S. Harris, J. Warburton, W. K. Carpenter, M. H. Hall, J. A. Cantor, R. TI 112-Pixel Arrays of High-Efficiency STJ X-Ray Detectors SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Superconducting tunnel junctions; STJ X-ray detectors; X-ray absorption spectroscopy; Synchrotron science; Ta-Al-AlOx-Al-Ta ID SYNCHROTRON SCIENCE AB We are developing the next generation of high-resolution high-speed X-ray detectors based on superconducting tunnel junctions (STJs). They consist of 112-pixel arrays of 208 m 208 m Ta-Al--Al-Ta tunnel junctions whose Ta absorber increases the detection efficiency compared to earlier Nb-based STJs. To read out these medium size detector arrays we have also developed a compact and scalable 32-channel preamplifier with an input voltage noise 1 nV/Hz and a dc voltage bias for stable STJ operation between Fiske mode resonances. The pixels have a uniform response across the array, an energy resolution between 7.5 and 9.5 eV FWHM at 525 eV, and can be operated at several 1,000 counts/s per pixel. C1 [Friedrich, S.; Carpenter, M. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Harris, J.; Warburton, W. K.] XIA LLC, Hayward, CA 94544 USA. [Carpenter, M. H.; Hall, J. A.; Cantor, R.] STAR Cryoelect, Santa Fe, NM 87508 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM friedrich1@llnl.gov FU U.S. DOE [DE-SC0004359, DE-SC0006214, DE-SC0002256]; U.S. DOE by LLNL [DE-AC52-07NA27344] FX This work was funded by the U.S. DOE Grants DE-SC0004359, DE-SC0006214, and DE-SC0002256. This work was performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. NR 8 TC 3 Z9 3 U1 0 U2 8 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 553 EP 559 DI 10.1007/s10909-014-1151-3 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800065 ER PT J AU Andrianov, VA Filippenko, LV Friedrich, S AF Andrianov, V. A. Filippenko, L. V. Friedrich, S. TI Quasiparticle Freeze-Out in Superconducting Tunnel Junction X-ray Detectors with Killed Base Electrode SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE X-rays detectors; Superconducting tunnel junctions; Quasiparticles; Proximity theory; Density of states AB The current-voltage characteristics of superconducting tunnel junction (STJ) X-ray detectors were measured in the temperature range from 4.2 to 0.1 K. The freeze-out of the thermal tunneling current was compared between an STJ detector with a traditional Nb/Al/AlO/Al/Nb layer structure and a Ti/Nb/Al/AlO/Al/Nb/NbN detector whose low-gap Ti film kills the X-ray response of the base electrode. The current decrease and the linear low-temperature I(V) characteristics for the detector with the killed electrode can be qualitatively explained by tunneling current contributions from the subgap states of the Ti film. The data are analyzed on the basis of the proximity theory in the dirty limit. C1 [Andrianov, V. A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia. [Filippenko, L. V.] Inst Radio Engn & Elect RAS, Moscow 103907, Russia. [Friedrich, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM friedrich1@llnl.gov RI Filippenko, Lyudmila/B-1124-2014 NR 12 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2014 VL 176 IS 3-4 BP 584 EP 590 DI 10.1007/s10909-013-1016-1 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AK1WY UT WOS:000338210800070 ER PT J AU He, HK Zhong, MJ Luebke, D Nulwala, H Matyjaszewski, K AF He, Hongkun Zhong, Mingjiang Luebke, David Nulwala, Hunaid Matyjaszewski, Krzysztof TI Atom Transfer Radical Polymerization of Ionic Liquid Monomer: The Influence of Salt/Counterion on Polymerization SO JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY LA English DT Article DE atom transfer radical polymerization (ATRP); synthesis; poly(ionic liquid)s; salt; kinetics (polym.) ID SOLVATOCHROMIC COMPARISON METHOD; POLY(IONIC LIQUID)S; BLOCK-COPOLYMERS; ATRP; SOLVENT; LIGAND; SEPARATIONS; PERFORMANCE; COMPLEXES; CONSTANTS AB Understanding the influence of salt/counterion on atom transfer radical polymerization (ATRP) is important to optimize the conditions for ATRP of ionic monomers, such as ionic liquid monomer. This article reports the results of a systematical investigation of the variables associated with ATRP in the presence of different types and amounts of salts, solvents, ligands, and monomers. A series of control ATRP experiments were conducted under various polymerization conditions. The kinetics of the polymerizations, the molecular weight, and molecular weight distribution of the formed polymers were studied by nuclear magnetic resonance and gel permeation chromatography. The results indicated that all of the studied variables influenced the ATRP process to different degrees. (C) 2014 Wiley Periodicals, Inc. C1 [He, Hongkun; Zhong, Mingjiang; Nulwala, Hunaid; Matyjaszewski, Krzysztof] Carnegie Mellon Univ, Dept Chem, Ctr Macromol Engn, Pittsburgh, PA 15213 USA. [He, Hongkun; Luebke, David; Nulwala, Hunaid] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Nulwala, H (reprint author), Carnegie Mellon Univ, Dept Chem, Ctr Macromol Engn, 4400 Fifth Ave, Pittsburgh, PA 15213 USA. EM hnulwala@andrew.cmu.edu; km3b@andrew.cmu.edu RI Nulwala, Hunaid/G-8126-2012; He, Hongkun/B-4759-2011; Zhong, Mingjiang/F-3470-2011; Matyjaszewski, Krzysztof/A-2508-2008 OI Nulwala, Hunaid/0000-0001-7481-3723; He, Hongkun/0000-0002-7214-3313; Zhong, Mingjiang/0000-0001-7533-4708; Matyjaszewski, Krzysztof/0000-0003-1960-3402 FU NSF [CHE-1039870, DMR-0969301]; DoE [ER-45998]; U.S. Department of Energy's National Energy Technology Laboratory [DE-FE0004000] FX NSF support (CHE-1039870 and DMR-0969301) and DoE support (ER-45998) is acknowledged. This technical effort was also performed in support of U.S. Department of Energy's National Energy Technology Laboratory's on-going research on CO2 capture under the contract DE-FE0004000. NR 58 TC 14 Z9 14 U1 6 U2 63 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-624X EI 1099-0518 J9 J POLYM SCI POL CHEM JI J. Polym. Sci. Pol. Chem. PD AUG 1 PY 2014 VL 52 IS 15 BP 2175 EP 2184 DI 10.1002/pola.27229 PG 10 WC Polymer Science SC Polymer Science GA AK0PT UT WOS:000338117500011 ER PT J AU Gourdon, O Gottschlich, M Persson, J de la Cruz, C Petricek, V McGuire, MA Bruckel, T AF Gourdon, Olivier Gottschlich, Michael Persson, Joerg de la Cruz, Clarina Petricek, Vaclav McGuire, Michael A. Brueckel, Thomas TI Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe4Si3 SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Magnetocaloric effect materials; Intermetallic; Silicide; Magnetism; Neutron diffraction; Density functional theory ID MAGNETIC REFRIGERATION; FERROMAGNETISM; GD-5(SI2GE2); SOLIDS; ALLOYS; ATOMS; MN; GE; SI AB The intermetallic compound MnFe4Si3 has been studied by high-resolution Time of Flight (TOF) neutron powder diffraction. MnFe4Si3 crystallizes in the hexagonal space group P6(3)/mcm with lattice constants of a = b = 6.8043(4) angstrom and c = 4,7254(2) angstrom at 310 K. Magnetic susceptibility measurements show clearly the magnetic transition from paramagnetism to ferromagnetism at about 302(2)K. Magnetic structure refinements based on neutron powder diffraction data with and without external magnetic field reveal strong evidence on the origin of the large magnetocaloric effect (MCE) in this material as a partial reordering of the spins between similar to 270 K and 300 K. In addition, electronic structure calculations using the self-consistent, spin-polarized Tight Binding-Linear MuffinTin Orbital (TB-LMTO) method were also accomplished to address the "coloring problem" (Mn/Fe site preference) as well as the unique ferromagnetic behavior of this intermetallic compound. Published by Elsevier Inc. C1 [Gourdon, Olivier] Los Alamos Natl Lab, Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Gottschlich, Michael; Persson, Joerg; Brueckel, Thomas] Forschungszentrum Julich, Julich Ctr Neutron Sci JCNS 2, D-52425 Julich, Germany. [Gottschlich, Michael; Persson, Joerg; Brueckel, Thomas] Forschungszentrum Julich, JARA FIT, Peter Grunberg Inst PGI 4, D-52425 Julich, Germany. [de la Cruz, Clarina] Oak Ridge Natl Lab, Spallat Neutron Source, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Petricek, Vaclav] ASCR, Inst Phys, Vvi, Prague 18221, Czech Republic. [McGuire, Michael A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Gourdon, O (reprint author), Los Alamos Natl Lab, Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. EM gourdono@lanl.gov RI McGuire, Michael/B-5453-2009; Bruckel, Thomas/J-2968-2013; dela Cruz, Clarina/C-2747-2013 OI McGuire, Michael/0000-0003-1762-9406; Bruckel, Thomas/0000-0003-1378-0416; dela Cruz, Clarina/0000-0003-4233-2145 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, Propulsion Materials Program; Praemium Academiae of Czech Academy of Sciences FX The authors are grateful to Dr. Jason Hodges and Luke Heroux for their various constructive comments on the neutron experiments measurements. This research at Oak Ridge National Laboratory's High Flux Isotope Reactor and Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. M.A.M acknowledges support from U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, Propulsion Materials Program. Development of the program Jana2006 was supported by Praemium Academiae of Czech Academy of Sciences. NR 41 TC 2 Z9 2 U1 4 U2 35 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 EI 1095-726X J9 J SOLID STATE CHEM JI J. Solid State Chem. PD AUG PY 2014 VL 216 BP 56 EP 64 DI 10.1016/j.jssc.2014.05.001 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA AK1LR UT WOS:000338177100009 ER PT J AU Monsegue, N Reynolds, WT Hawk, JA Murayama, M AF Monsegue, Niven Reynolds, William T., Jr. Hawk, Jeffrey A. Murayama, Mitsuhiro TI How TEM Projection Artifacts Distort Microstructure Measurements: A Case Study in a 9 pct Cr-Mo-V Steel SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID ELECTRON TOMOGRAPHY; MARTENSITIC STEEL; FERRITIC STEELS; CREEP; NANOPARTICLES; 650-DEGREES-C; STABILITY; EVOLUTION; CATALYSTS; STRENGTH AB Morphological data obtained from two-dimensional (2D) and three-dimensional (3D) transmission electron microscopy (TEM) observations were compared to assess the effects of TEM projection errors for submicron-size precipitates. The microstructure consisted of M23C6 carbides in a 9 pct Cr-Mo-V heat resistant steel before and after exposure to creep conditions. Measurements obtained from about 800 carbides demonstrate that particle size and spacing estimates made from 2D observations overestimate the more accurate values obtained from 3D reconstructions. The 3D analysis also revealed the M23C6 precipitates lengthen anisotropically along lath boundary planes, suggesting that coarsening during the early stage of creep in this alloy system is governed by grain boundary diffusion. C1 [Monsegue, Niven; Reynolds, William T., Jr.; Murayama, Mitsuhiro] Reg Univ Alliance, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Monsegue, Niven; Reynolds, William T., Jr.; Murayama, Mitsuhiro] Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. [Reynolds, William T., Jr.; Murayama, Mitsuhiro] Virginia Tech, Inst Crit Technol & Appl Sci, Blacksburg, VA 24061 USA. [Hawk, Jeffrey A.] US Dept Technol, Natl Energy Technol Lab, Albany, OR 97231 USA. RP Monsegue, N (reprint author), Reg Univ Alliance, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM nmonsegu@vt.edu FU National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL; U.S. Department of Energy [DE-FG02-06ER15786]; Nanoscale Characterization and Fabrication Laboratory of the Institute of Critical Technology and Applied Sciences, Virginia Tech; agency of the United States Government FX This work was funded as part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the RES contract. The U.S. Department of Energy (DE-FG02-06ER15786) provided financial support for instrumentation. Support was also provided by the Nanoscale Characterization and Fabrication Laboratory of the Institute of Critical Technology and Applied Sciences, Virginia Tech. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 23 TC 3 Z9 3 U1 0 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2014 VL 45A IS 9 BP 3708 EP 3713 DI 10.1007/s11661-014-2331-0 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK2VM UT WOS:000338277600004 ER PT J AU Susan, DF Ghanbari, Z Kotula, PG Michael, JR Rodriguez, MA AF Susan, Donald F. Ghanbari, Zahra Kotula, Paul G. Michael, Joseph R. Rodriguez, Mark A. TI Characterization of Continuous and Discontinuous Precipitation Phases in Pd-Rich Precious Metal Alloys SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID MICROSTRUCTURAL CHANGES; SPINODAL DECOMPOSITION; METASTABLE PHASES; AGING PROCESS; CU; TRANSFORMATION AB Aberration-corrected scanning transmission electron microscopy (AC-STEM), X-ray diffraction (XRD), electron backscatter diffraction, and electron probe microanalysis were applied to characterize continuous and discontinuous phase formation in precious metal alloys used in electrical contacts. The Pd-rich Paliney(A (R)) ((A (R))Paliney is tradename of Deringer-Ney Inc., Bloomfield, CT) alloys contain Pd, Ag, Cu, Au, Pt (and Zn or Ni). With aging at 755 K (482 A degrees C), nanometer-scale chemistry modulation was observed indicating spinodal decomposition. An ordered body-centered tetragonal (bct) structure was also observed with AC-STEM after the 755 K (482 A degrees C) aging treatment and another phase, tentatively identified as beta-Cu3Pd4Zn, was found by microscopy and XRD after prolonged holds at higher temperatures. During slow cooling or isothermal holds at high temperature [755 K to 973 K (482 A degrees C to 700 A degrees C)], a two-phase lamellar structure develops along grain boundaries by discontinuous precipitation. XRD and AC-STEM showed that the lamellar structure was comprised of Ag-rich and Cu-rich fcc phases (alpha (1) and alpha (2)). The phases are discussed in relation to a pseudo-ternary diagram based on Ag-Cu-Pd, which provides a simplified representation of the discontinuous phase compositions in the multi-component alloy system. C1 [Susan, Donald F.; Kotula, Paul G.; Michael, Joseph R.; Rodriguez, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Ghanbari, Zahra] Colorado Sch Mines, Golden, CO 80401 USA. RP Susan, DF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dfsusan@sandia.-gov RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 29 TC 0 Z9 0 U1 2 U2 23 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2014 VL 45A IS 9 BP 3755 EP 3766 DI 10.1007/s11661-014-2334-x PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK2VM UT WOS:000338277600009 ER PT J AU Bunn, JR Penumadu, D Lou, X Hubbard, CR AF Bunn, Jeffrey R. Penumadu, Dayakar Lou, Xin Hubbard, Camden R. TI Effect of Multi-Axial Loading on Residual Strain Tensor for 12L14 Steel Alloy SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID NEUTRON-DIFFRACTION; STAINLESS-STEEL; INTERGRANULAR STRAINS; STRESS; GENERATION AB Evaluating the state of residual strain or stress is critically important for structural materials and for reliable design of complex shape components that need to function in extreme environment subjected to large thermo-mechanical loading. When residual stress state is superposed to external loads, it can lead to reduction or increase in failure strength. Past diffraction studies for evaluating the residual strain state involved measuring lattice spacings in three orthogonal directions and do not often correspond to principal directions. To completely resolve the state of strain at a given location, a full strain tensor must be determined. This is especially important when characterizing materials or metallic components exposed to biaxial or complex loading. Neutron diffraction at the second Generation Neutron Residual Stress Facility (NRSF2) at Oak Ridge National Laboratory is used in this study to measure strain tensors associated with different modes of stress path. Hollow cylinder steel samples with 2 mm wall thickness are subjected to either pure axial extension or pure torsion to simulate multi-axial loading conditions. A virgin sample that is not subjected to any deformation, but subjected to identical manufacturing conditions and machining steps involved to obtain hollow cylinder geometry is used for obtaining reference d-spacing for given hkl planes at target spatial location(s). The two samples which are subjected to either pure tension or torsion are loaded to a deformation state that corresponded to equal amount of octahedral shear strain which is an invariant. This procedure is used so that a basis for comparison between the two samples can be made to isolate the stress path effects. A 2-circle Huber orienteer is used to obtain strain measurements on identical gauge volume at a series of phi and psi values. The residual state of stress tensor corresponding to ex situ (upon unloading) conditions is presented for three lattice planes (211, 110, 200) for a bcc ferritic system exposed to tension and pure torsion. C1 [Bunn, Jeffrey R.; Penumadu, Dayakar; Lou, Xin] Univ Tennessee, Civil & Environm Engn Dept, Knoxville, TN 37996 USA. [Hubbard, Camden R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Bunn, JR (reprint author), Univ Tennessee, Civil & Environm Engn Dept, Knoxville, TN 37996 USA. EM dpenumad@utk.edu RI Bunn, Jeffrey/J-4286-2014 OI Bunn, Jeffrey/0000-0001-7738-0011 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; US National Science Foundation [0801470] FX The authors would like to acknowledge the help of Dr. A. Siriruk and Mr. K. G. Thomas who performed accompanying testing using an MTS tension-torsion loading system at the University of Tennessee. Research at the 2nd Generation Neutron Residual Stress Mapping Facility at the High Flux Isotope Reactor was partially sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, and by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This material is based upon work partially supported by the US National Science Foundation under grant #0801470 to Dr. D. Penumadu for supporting IGERT student, Mr. J. Bunn. NR 30 TC 0 Z9 0 U1 1 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2014 VL 45A IS 9 BP 3806 EP 3813 DI 10.1007/s11661-014-2355-5 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK2VM UT WOS:000338277600014 ER PT J AU Chen, K Meng, WJ Eastman, JA AF Chen, Ke Meng, Wen Jin Eastman, J. A. TI Interface Development in Cu-Based Structures Transient Liquid Phase (TLP) Bonded with Thin Al Foil Intermediate Layers SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID RATIO MICROSCALE STRUCTURES; ELASTIC-MODULUS; MOLD INSERTS; SN SYSTEM; INDENTATION; TEMPERATURE; FABRICATION; STRENGTH; KINETICS; HARDNESS AB Proper bonding and assembly techniques are essential for fabrication of functional metal-based microdevices. Transient liquid phase (TLP) bonding is a promising technique for making enclosed metallic microchannel devices. In this paper, we report results of TLP bonding of Cu-based structures at temperatures between 823 K and 883 K (550 A degrees C and 610 A degrees C) with thin elemental Al foils as intermediate boding layers. In situ X-ray diffraction was utilized to examine the structure of Cu/Al interface in real time, resulting in a proposed sequence of structural evolution of the Cu/Al/Cu TLP bonding interface region. Three different types of bonding interface structures, the "gamma (1) structure," the "eutectoid structure" ("E structure"), and the "E/gamma (1)/E structure," were observed through electron microscopy, and related to the proposed sequence of interfacial structural evolution. Tensile fracture tests were conducted on TLP-bonded Cu/Al/Cu coupon assemblies. Hardness of the various phases within the bonding interface region was probed with instrumented nanoindentation. Results of mechanical testing were correlated to the structure of the bonding interface region. The present results provide an understanding of the structural evolution within the Cu/Al/Cu TLP bonding interface region, and offer guidance to future bonding of Cu-based microsystems. C1 [Chen, Ke; Meng, Wen Jin] Louisiana State Univ, Dept Mech Engn, Baton Rouge, LA 70803 USA. [Eastman, J. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Chen, K (reprint author), Louisiana State Univ, Dept Mech Engn, Baton Rouge, LA 70803 USA. EM wmeng1@lsu.edu OI Eastman, Jeff/0000-0002-0847-4265 FU NSF; Louisiana State Board of Regents [CMMI-0556100, CMMI-0900167, LEQSF(2008-10)-RD-B-02, LEQSF(2011-13)-RD-B-03, LEQSF(2011-13)-RD-B-04]; NSF through SBIR [IIP-1058523]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy [DE-AC02-06CH11357] FX KC and WJM gratefully acknowledge partial project support from NSF and Louisiana State Board of Regents through Grants CMMI-0556100 and CMMI-0900167 and Contracts LEQSF(2008-10)-RD-B-02, LEQSF(2011-13)-RD-B-03, and LEQSF(2011-13)-RD-B-04. Additional NSF support was obtained through SBIR Grant IIP-1058523 to Enervana Technologies LLC, which supported KC and WJM through a sub-award to LSU. JAE was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Use of the Advanced Photon Source was supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 36 TC 0 Z9 0 U1 3 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2014 VL 45A IS 9 BP 3892 EP 3906 DI 10.1007/s11661-014-2339-5 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AK2VM UT WOS:000338277600022 ER PT J AU Egolfopoulos, FN Hansen, N Ju, Y Kohse-Hoinghaus, K Law, CK Qi, F AF Egolfopoulos, F. N. Hansen, N. Ju, Y. Kohse-Hoeinghaus, K. Law, C. K. Qi, F. TI Advances and challenges in laminar flame experiments and implications for combustion chemistry SO PROGRESS IN ENERGY AND COMBUSTION SCIENCE LA English DT Review DE Laminar flames; Flame propagation; Flame speciation; Experimental techniques; Flame modeling; Combustion chemistry ID PHOTOIONIZATION MASS-SPECTROMETRY; FUEL-RICH FLAMES; LOW-PRESSURE FLAMES; PROPAGATING SPHERICAL FLAMES; HIGH-TEMPERATURE OXIDATION; DIMETHYL ETHER FLAMES; AIR PREMIXED FLAMES; HEAT-FLUX METHOD; COUNTERFLOW DIFFUSION FLAMES; ADIABATIC BURNING VELOCITY AB The state of the art and the further challenges of combustion chemistry research in laminar flames are reviewed. Laminar flames constitute an essential part of kinetic model development as the rates of elementary reactions are studied and/or validated in the presence of temperature and species concentration gradients. The various methods considered in this review are the flat, low-pressure, burner-stabilized premixed flame for chemical speciation studies, and the stagnation, spherically expanding, and burner-stabilized flames for determining the global flame properties. The data derived using these methods are considered at present as the most reliable ones for three decades of pressures ranging from about 50 mbar to over 50 bar. Furthermore, the attendant initial and/or boundary conditions and physics are in principle well characterized, allowing for the isolation of various physical parameters that could affect the flame structure and thus the reported data. The merits of each approach and the advances that have been made are outlined and the uncertainties of the reported data are discussed. At the same time, the potential sources of uncertainties associated with the experimental methods and the hypotheses for data extraction using each method are discussed. These uncertainties include unquantified physical effects, inherent instrument limitations, data processing, and data interpretation. Recommendations to reduce experimental uncertainties and increase data fidelity, essential for accurate kinetic model development, are given. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Egolfopoulos, F. N.] Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. [Hansen, N.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Ju, Y.; Law, C. K.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. [Kohse-Hoeinghaus, K.] Univ Bielefeld, Dept Chem, D-33615 Bielefeld, Germany. [Qi, F.] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China. RP Egolfopoulos, FN (reprint author), Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. EM egolfopo@usc.edu RI Hansen, Nils/G-3572-2012; Kohse-Hoinghaus, Katharina/A-3867-2012; Qi, Fei/A-3722-2012 FU Combustion Energy Frontier Research Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001198]; Deutsche Forschungsgemeinschaft [SFB 686, TP B3]; National Natural Science Foundation of China [U1332208]; Chinese Academy of Sciences; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Nuclear Security Administration [DE-AC04-94-AL85000] FX Preparation of this review was sponsored by the Combustion Energy Frontier Research Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Award Number DE-SC0001198. K. Kohse-Hoinghaus was partially supported by the Deutsche Forschungsgemeinschaft under SFB 686, TP B3. F. Qi was supported by the National Natural Science Foundation of China (U1332208) and the Chinese Academy of Sciences. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 293 TC 70 Z9 72 U1 14 U2 141 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1285 J9 PROG ENERG COMBUST JI Prog. Energy Combust. Sci. PD AUG PY 2014 VL 43 BP 36 EP 67 DI 10.1016/j.pecs.2014.04.004 PG 32 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AK7HX UT WOS:000338600500002 ER PT J AU Mustafa, JI Malone, BD Cohen, ML Louie, SG AF Mustafa, Jamal I. Malone, Brad D. Cohen, Marvin L. Louie, Steven G. TI Band offsets in c-Si/Si-XII heterojunctions SO SOLID STATE COMMUNICATIONS LA English DT Article DE Semiconductors; Electronic band structure; Electronic transport ID SCHOTTKY-BARRIER HEIGHTS; HIGH-PRESSURE PHASE; METASTABLE PHASES; QUASI-PARTICLE; SILICON; TRANSITIONS; GE; SI AB Silicon has a rich phase diagram with a multitude of phases existing over a wide range of pressures and temperatures, in addition to the common cubic silicon (c-Si) phase. One such phase, Si-XII, was first observed less than 2 decades ago in diamond anvil experiments, and more recently as a product of nanoindentation. In some of these latter experiments, I-V measurements were performed to characterize the c-Si/Si-XII interface that results when Si-XII is formed in cubic silicon substrates. In this paper we describe calculations of the band offsets in c-Si/Si-XII heterojunctions. We find that the heterojunction is of Type I and that the band offsets are estimated to be Delta E-v = 0.3 eV and Delta E-c = 0.5 eV for the valence bands and conduction bands, respectively. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Mustafa, Jamal I.; Malone, Brad D.; Cohen, Marvin L.; Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Mustafa, Jamal I.; Malone, Brad D.; Cohen, Marvin L.; Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Malone, Brad D.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. RP Louie, SG (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM jimustafa@berkeley.edu; bmalone@seas.harvard.edu; mlcohen@berkeley.edu; sglouie@berkeley.edu FU Theory Program at the Lawrence Berkeley National Lab through the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]; National Science Foundation [DMR10-1006184]; Simons Foundation Fellowship in Theoretical Physics [230814] FX Research was supported by the Theory Program at the Lawrence Berkeley National Lab through the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-05CH11231, which provided the band structure calculations and GW results, and by the National Science Foundation under award #DMR10-1006184, which provided Green's function and band offset analyses. Computational resources have been provided by the DOE at Lawrence Berkeley National Laboratory's NERSC facility. S.G.L. acknowledges support by a Simons Foundation Fellowship in Theoretical Physics (Grant #230814). NR 28 TC 0 Z9 0 U1 2 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD AUG PY 2014 VL 191 BP 6 EP 9 DI 10.1016/j.ssc.2014.04.011 PG 4 WC Physics, Condensed Matter SC Physics GA AK4SL UT WOS:000338414300002 ER PT J AU Weber, BW Pitz, WJ Mehl, M Silke, EJ Davis, AC Sung, CJ AF Weber, Bryan W. Pitz, William J. Mehl, Marco Silke, Emma J. Davis, Alexander C. Sung, Chih-Jen TI Experiments and modeling of the autoignition of methylcyclohexane at high pressure SO COMBUSTION AND FLAME LA English DT Article DE Methylcyclohexane; Autoignition; Rapid compression machine; Low-temperature chemistry ID RAPID COMPRESSION MACHINE; ELEVATED PRESSURES; SHOCK-TUBE; TEMPERATURE OXIDATION; IGNITION; MIXTURES; CYCLOHEXANE; FUELS; ETHYLCYCLOHEXANE; HYDROCARBON AB New experimental data are collected for methyl-cyclohexane (MCH) autoignition in a heated rapid compression machine (RCM). Three mixtures of MCH/O-2/N-2/Ar at equivalence ratios of phi = 0.5, 1.0, and 1.5 are studied and the ignition delays are measured at compressed pressure of 50 bar and for compressed temperatures in the range of 690-900 K. By keeping the fuel mole fraction in the mixture constant, the order of reactivity, in terms of inverse ignition delay, is measured to be phi = 0.5 > phi = 1.0 > phi = 1.5, demonstrating the dependence of the ignition delay on oxygen concentration. In addition, an existing model for the combustion of MCH is updated with new reaction rates and pathways, including substantial updates to the low-temperature chemistry. The new model shows good agreement with the overall ignition delays measured in this study, as well as the ignition delays measured previously in the literature using RCMs and shock tubes. This model therefore represents a strong improvement compared to the previous version, which uniformly over-predicted the ignition delays. Chemical kinetic analyses of the updated mechanism are also conducted to help understand the fuel decomposition pathways and the reactions controlling the ignition. Combined, these results and analyses suggest that further investigation of several of the low-temperature fuel decomposition pathways is required. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Weber, Bryan W.; Sung, Chih-Jen] Univ Connecticut, Dept Mech Engn, Storrs, CT USA. [Pitz, William J.; Mehl, Marco; Silke, Emma J.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Davis, Alexander C.] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal, Saudi Arabia. RP Weber, BW (reprint author), 191 Auditorium Rd U3139, Storrs, CT 06269 USA. EM bryan.weber@uconn.edu RI Weber, Bryan/C-1493-2011; Mehl, Marco/A-8506-2009 OI Weber, Bryan/0000-0003-0815-9270; Mehl, Marco/0000-0002-2227-5035 FU Combustion Energy Frontier Research Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001198]; U.S. Department of Energy, Office of Vehicle Technologies; U.S. Department of Energy [DE-AC52-07NA27344]; KAUST CCRC FX The work at the University of Connecticut was supported as part of the Combustion Energy Frontier Research Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-SC0001198. The work at LLNL was supported by U.S. Department of Energy, Office of Vehicle Technologies, program manager Gurpreet Singh and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. Alexander Davis acknowledges funding from KAUST CCRC with technical monitoring of Dr. Mani Sarathy. NR 42 TC 15 Z9 15 U1 3 U2 31 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2014 VL 161 IS 8 BP 1972 EP 1983 DI 10.1016/j.combustflame.2014.01.018 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AJ8XD UT WOS:000337990500002 ER PT J AU Krisman, A Tang, JCK Hawkes, ER Lignell, DO Chen, JH AF Krisman, Alex Tang, Joshua C. K. Hawkes, Evatt R. Lignell, David O. Chen, Jacqueline H. TI A DNS evaluation of mixing models for transported PDF modelling of turbulent nonpremixed flames SO COMBUSTION AND FLAME LA English DT Article DE Transported probability density function; Nonpremixed; Ethylene; Syngas; Mixing; Particle method ID PROBABILITY DENSITY-FUNCTION; DIRECT NUMERICAL SIMULATIONS; LARGE-EDDY SIMULATION; JET DIFFUSION FLAMES; MICROMIXING MODELS; LOCAL EXTINCTION; REACTIVE FLOWS; HEATED COFLOW; SCALAR; REIGNITION AB Transported probability density function (TPDF) methods are well suited to modelling turbulent, reacting, variable density flows. One of the main challenges to the successful deployment of TPDF methods is accurately modelling the unclosed molecular mixing term. This study examines three of the most widely used mixing models: the Interaction by Exchange with the Mean (IEM), Modified Curl (MC) and Euclidean Minimum Spanning Tree (EMST) models. Direct numerical simulation (DNS) data-sets were used to provide both initial conditions and inputs needed over the course of the runs, including the mean flow velocities, mixing frequency, and the turbulent diffusion coefficient. The same chemical mechanism and thermodynamic properties were used, allowing the study to focus on the mixing model. The simulation scenario was a one-dimensional, nonpremixed, turbulent jet flame burning either a syngas or ethylene fuel stream that featured extinction and reignition. This test scenario was selected because extinction and reignition phenomena are sensitive to the mixing model. Three DNS cases were considered for both the syngas and ethylene cases with a parametric variation of Reynolds and Damkohler numbers, respectively. Extinction events became more prevalent with increasing Reynolds number in the syngas cases and with decreasing Damkohler number in the ethylene cases. The model was first tested with the mixing frequency defined from the dissipation rate and variance of mixture fraction. With this definition, for the syngas cases this study finds that the TPDF method is successful at predicting flame extinction and reignition using all three mixing models for the relatively lower and intermediate Reynolds number cases, but that all models under-predict reignition in the relatively higher Reynolds number case. In the ethylene fuelled cases, only the EMST mixing model correctly predicts the reignition event for the two higher Damkohler number cases, however, in the lowest Damkohler number case the EMST model over-predicts reignition and the IEM and MC models under-predict it. Mixing frequency was then modelled based on the turbulence frequency and a model constant C-phi, the ratio of scalar to mechanical mixing rates. The DNS cases were reexamined with this definition and the results suggested that the optimal value for C-phi is mixing model and case dependent. In particular, it was found in the ethylene case considered that reignition could be achieved with the IEM and MC models by adjusting the value of C-phi. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Krisman, Alex; Tang, Joshua C. K.; Hawkes, Evatt R.] Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia. [Hawkes, Evatt R.] Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia. [Lignell, David O.] Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. [Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 96551 USA. RP Krisman, A (reprint author), Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia. EM a.krisman@unsw.edu.au RI Hawkes, Evatt/C-5307-2012 OI Hawkes, Evatt/0000-0003-0539-7951 FU Australian Research Council; Office of Science of the US DOE [DE-AC02-05CH11231, DE-AC05-000R22725]; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; US Department of Energy [DE-AC04-94-AL85000] FX This research was supported by the Australian Research Council. This research used resources of the National Energy Research Computing Center (NERSC), and of the National Center for Computational Sciences at Oak Ridge National Laboratory (NCCS/ORNL) which are supported by the Office of Science of the US DOE under Contract Nos. DE-AC02-05CH11231 and DE-AC05-000R22725, respectively. This research benefited from computational resources available at the National Computational Infrastructure, Australia through the Merit Access Scheme and Intersect Australia partner share, and from the Leonardi high performance compute cluster at UNSW. This research was sponsored by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy under Contract DE-AC04-94-AL85000. NR 53 TC 7 Z9 7 U1 2 U2 21 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2014 VL 161 IS 8 BP 2085 EP 2106 DI 10.1016/j.combustflame.2014.01.009 PG 22 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AJ8XD UT WOS:000337990500013 ER PT J AU Zelenyuk, A Reitz, P Stewart, M Imre, D Loeper, P Adams, C Andrie, M Rothamer, D Foster, D Narayanaswamy, K Najt, P Solomon, A AF Zelenyuk, Alla Reitz, Paul Stewart, Mark Imre, Dan Loeper, Paul Adams, Cory Andrie, Mike Rothamer, David Foster, David Narayanaswamy, Kushal Najt, Paul Solomon, Arun TI Detailed characterization of particulates emitted by pre-commercial single-cylinder gasoline compression ignition engine SO COMBUSTION AND FLAME LA English DT Article DE Gasoline compression ignition engine; Particulate matter characterization; Single particle mass spectrometer; Low temperature combustion; Partially premixed combustion ID PARTICLE MASS-SPECTROMETRY; AERODYNAMIC DIAMETER MEASUREMENTS; DENSITY CHARACTERIZATION; AEROSOL-PARTICLES; COMBINED MOBILITY; SOOT AEROSOLS; SIZE; MORPHOLOGY; EMISSIONS; SPLAT AB Gasoline Compression Ignition (GCI) engines have the potential to achieve high fuel efficiency and to significantly reduce both NOx and particulate matter (PM) emissions by operating under dilute, partially-premixed conditions. This low temperature combustion strategy is dependent upon direct-injection of gasoline during the compression stroke and potentially near top dead center (TDC). The timing and duration of the in-cylinder injections can be tailored based on speed and load to create optimized conditions that result in a stable combustion. We present the results of advanced aerosol analysis methods that have been used for detailed real-time characterization of PM emitted from a single-cylinder GCI engine operated at different speed, load, timing, and number and duration of near-TDC fuel injections. PM characterization included measurements of size and composition of individual particles sampled directly from the exhaust and after mass and/or mobility classification. We use these data to calculate particle effective density, fractal dimension, dynamic shape factors in free-molecular and transition flow regimes, average diameter of primary spherules, number of spherules, and void fraction of soot agglomerates. The data indicate that the properties of GCI particulates varied markedly depending upon engine load. Under low-load conditions (5.5 bar net Indicated Mean Effective Pressure, IMEP), PM is comprised of a mixture of particles similar to 70% of which are compact organic particles and similar to 30% are fractal soot aggregates. The soot aggregates have fractal dimension of 2.11, are constructed of primary spherules with average diameter of 40 nm, and composed of elemental and organic carbon at similar to 55:43 ratio by weight. Under high-load conditions (14 bar net IMEP), all the particles are fractal soot agglomerates with nearly identical fractal dimension and composition, but constructed of primary spherules with average diameter of 26 nm. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Zelenyuk, Alla; Reitz, Paul; Stewart, Mark] Pacific NW Natl Lab, Richland, WA 99354 USA. [Imre, Dan] Imre Consulting, Richland, WA 99352 USA. [Loeper, Paul; Adams, Cory; Andrie, Mike; Rothamer, David; Foster, David] Univ Wisconsin, Engine Res Ctr, Madison, WI 53706 USA. [Narayanaswamy, Kushal; Najt, Paul; Solomon, Arun] GM Global R&D, Warren, MI 48090 USA. RP Zelenyuk, A (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM alla.zelenyuk@pnnl.gov FU US Department of Energy Office of Energy Efficiency and Renewable Energy; Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences; BES; EMSL; General Motors through the Collaborative Research Laboratory at UW-Madison FX This work was supported by the US Department of Energy Office of Energy Efficiency and Renewable Energy (engine characterization studies) and the Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences (development of the advanced aerosol analysis methods, AZ). Development of SPLAT II was supported by BES and EMSL, a national scientific user facility by the US Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.; This work was performed at the University of Wisconsin-Madison Engine Research Center with its many helpful staff members and resources. Funding support for the University of Wisconsin-Madison was from General Motors through the Collaborative Research Laboratory at UW-Madison. NR 34 TC 4 Z9 4 U1 5 U2 36 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2014 VL 161 IS 8 BP 2151 EP 2164 DI 10.1016/j.combustflame.2014.01.011 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AJ8XD UT WOS:000337990500017 ER PT J AU Knezevic, M Drach, B Ardeljan, M Beyerlein, IJ AF Knezevic, Marko Drach, Borys Ardeljan, Milan Beyerlein, Irene J. TI Three dimensional predictions of grain scale plasticity and grain boundaries using crystal plasticity finite element models SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Crystal plasticity; Finite elements; Texture; Grain boundaries; Misorientation ID CU/NB-LAYERED COMPOSITES; TEXTURE EVOLUTION; POLYCRYSTAL PLASTICITY; MECHANICAL RESPONSE; FOURIER-TRANSFORMS; PROPERTY CLOSURES; FAST COMPUTATION; ALPHA-TITANIUM; PATH CHANGES; DEFORMATION AB In this work, we use crystal plasticity finite element (CPFE) models of 2D and 3D polycrystalline microstructures to elucidate 3D topological effects on microstructural evolution during rolling deformation. The important capabilities of our CPFE framework are that it predicts not only texture evolution but also the evolution of intra-grain and inter-grain misorientations, grain shape and grain boundary character distribution. These abilities are possible because both grain structures and grain boundary surfaces are explicitly meshed. Both the 2D and 3D models predict heterogeneous deformation within the grains and across the polycrystal. They also predict similar evolution in grain shape and texture. However, we find that the inter-granular misorientations are higher, the intra-granular misorientations are lower, and the texture evolves faster in 3D compared to 2D, differences which increase with strain level. We attribute these growing differences to the fact that in the 3D microstructure, grains are allowed to reorient both in plane and out of plane to preferred orientations, unlike in 2D. Interestingly, we also find that in the 3D model, the frequency of Sigma 3 boundaries increases with rolling strain up to the largest strain studied, 1.0. The important 3D effects revealed here can help studies that use CPFE models for understanding microstructural evolution, localization, and damage. (C) 2014 Elsevier B.V. All rights reserved. C1 [Knezevic, Marko; Ardeljan, Milan] Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA. [Drach, Borys] New Mexico State Univ, Dept Mech & Aerosp Engn, Las Cruces, NM 88003 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA. EM marko.knezevic@unh.edu RI Beyerlein, Irene/A-4676-2011 FU University of New Hampshire; Los Alamos National Laboratory Directed Research and Development (LDRD) [ER20140348] FX MK and MA were supported by the faculty startup funds from the University of New Hampshire. IJB would like to acknowledge support through a Los Alamos National Laboratory Directed Research and Development (LDRD) project ER20140348. We acknowledge Michael Jackson, a DREAM.3D software developer, for help with the software. NR 72 TC 39 Z9 39 U1 12 U2 47 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PD AUG 1 PY 2014 VL 277 BP 239 EP 259 DI 10.1016/j.cma.2014.05.003 PG 21 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA AJ9AC UT WOS:000337998200009 ER PT J AU Salehinia, I Wang, J Bahr, DF Zbib, HM AF Salehinia, I. Wang, J. Bahr, D. F. Zbib, H. M. TI Molecular dynamics simulations of plastic deformation in Nb/NbC multilayers SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE NbC/Nb multilayer; Molecular dynamics; Interface; Dislocation; Plastic deformation ID TRANSMISSION ELECTRON-MICROSCOPY; TRANSITION-METAL CARBIDES; THIN-FILMS; NANOINDENTATION HARDNESS; MICROPILLAR COMPRESSION; NANOLAYERED COMPOSITES; INTERATOMIC POTENTIALS; DISLOCATION NUCLEATION; ATOMISTIC SIMULATIONS; MECHANICAL-PROPERTIES AB Experimental studies show that metal-ceramic multilayers can have high strength, high strain hardening and measurable plasticity when the ceramic layer is a few nanometers thick. Using molecular dynamics simulations we studied deformation mechanisms in metal-ceramic multilayers and the role of interface structure and layer thickness on mechanical behavior. NbC/Nb multilayers were investigated numerically using the molecular dynamics (MD) method with empirical interatomic potentials. The interface dislocation structure was characterized by combining MD simulations and atomically informed Frank-Bilby theory. Two sets of pure edge misfit dislocations have been identified. Plastic deformation in NbC/Nb multilayers commences first in the metal layers by nucleation and glide of lattice dislocations initiating from interface misfit dislocations. These dislocations glide in the Nb layer and are deposited at the interface. The deposited dislocations facilitate slip transmission from the Nb layer to the NbC layer. The critical strain corresponding to dislocation nucleation is insensitive to layer thickness but depends on interface dislocation structure. The strain hardening and the peak flow strength of NbC/Nb multilayers are associated with the slip transmission from Nb to NbC, and are correlated to the interfacial dislocations, Nb layer thickness, and NbC layer thickness. The flow strength decreases with increasing Nb layer thickness and decreasing the NbC layer thickness. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Salehinia, I.; Zbib, H. M.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Wang, J.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Bahr, D. F.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP Salehinia, I (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. EM iman.salehinia@email.wsu.edu RI Bahr, David/A-6521-2012; Wang, Jian/F-2669-2012 OI Bahr, David/0000-0003-2893-967X; Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences [DE-FG02-07ER46435]; US Department of Energy, Office of Science, Office of Basic Energy Sciences; Los Alamos National Laboratory Directed Research and Development [LDRD-ER20140450] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences under Grant No. DE-FG02-07ER46435. JW acknowledges the support provided by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, and the Los Alamos National Laboratory Directed Research and Development (LDRD-ER20140450). NR 72 TC 18 Z9 18 U1 9 U2 68 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD AUG PY 2014 VL 59 BP 119 EP 132 DI 10.1016/j.ijplas.2014.03.010 PG 14 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AJ9AO UT WOS:000337999400007 ER PT J AU Fusseis, F Xiao, X Schrank, C De Carlo, F AF Fusseis, F. Xiao, X. Schrank, C. De Carlo, F. TI A brief guide to synchrotron radiation-based microtomography in (structural) geology and rock mechanics SO JOURNAL OF STRUCTURAL GEOLOGY LA English DT Review DE X-ray microtomography; Synchrotron; Digital rock physics; 3D petrography ID X-RAY MICROTOMOGRAPHY; QUANTITATIVE TEXTURAL ANALYSIS; LINEAR ELASTIC PROPERTIES; COMPUTED-TOMOGRAPHY; POROUS-MEDIA; IMAGE-ANALYSIS; 3-DIMENSIONAL RECONSTRUCTION; EXPERIMENTAL MICROMECHANICS; LOCALIZED DEFORMATION; STRAIN LOCALIZATION AB This contribution outlines Synchrotron-based X-ray micro-tomography and its potential use in structural geology and rock mechanics. The paper complements several recent reviews of X-ray microtomography. We summarize the general approach to data acquisition, post-processing as well as analysis and thereby aim to provide an entry point for the interested reader. The paper includes tables listing relevant beamlines, a list of all available imaging techniques, and available free and commercial software packages for data visualization and quantification. We highlight potential applications in a review of relevant literature including time-resolved experiments and digital rock physics. The paper concludes with a report on ongoing developments and upgrades at synchrotron facilities to frame the future possibilities for imaging sub-second processes in centimetre-sized samples. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Fusseis, F.] Univ Edinburgh, Grant Inst, Sch Geosci, Edinburgh EH9 3JW, Midlothian, Scotland. [Xiao, X.; De Carlo, F.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Schrank, C.] Queensland Univ Technol, Fac Sci & Engn, Brisbane, Qld 4001, Australia. RP Fusseis, F (reprint author), Univ Edinburgh, Grant Inst, Sch Geosci, Kings Buildings,West Mains Rd, Edinburgh EH9 3JW, Midlothian, Scotland. EM florian.fusseis@ed.ac.uk; xhxiao@aps.anl.gov; christoph.schrank@qut.edu.au; decarlo@aps.anl.gov RI Fusseis, Florian/M-5321-2016; OI Fusseis, Florian/0000-0002-3104-8109; Schrank, Christoph/0000-0001-9643-2382 FU U.S. Department of Energy [DE-AC02-06CH11357] FX Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. We thank R. Ketcham and an anonymous reviewer for excellent reviews that helped to improve this manuscript. NR 162 TC 22 Z9 22 U1 13 U2 69 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0191-8141 J9 J STRUCT GEOL JI J. Struct. Geol. PD AUG PY 2014 VL 65 BP 1 EP 16 DI 10.1016/j.jsg.2014.02.005 PG 16 WC Geosciences, Multidisciplinary SC Geology GA AJ6DB UT WOS:000337778800001 ER PT J AU Genet, M Couegnat, G Tomsia, AP Ritchie, RO AF Genet, Martin Couegnat, Guillaume Tomsia, Antoni P. Ritchie, Robert O. TI Scaling strength distributions in quasi-brittle materials from micro- to macro-scales: A computational approach to modeling Nature-inspired structural ceramics SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Fracture; Microcracking; Ceramics; Finite element analysis; Computational homogenization ID FIBER-BUNDLES; QUASIBRITTLE; FRACTURE; FAILURE; COMPOSITES; LIFETIME; DAMAGE; MECHANICS; SCAFFOLDS; FATIGUE AB This paper presents an approach to predict the strength distribution of quasi-brittle materials across multiple length-scales, with emphasis on Nature-inspired ceramic structures. It permits the computation of the failure probability of any structure under any mechanical load, solely based on considerations of the microstructure and its failure properties by naturally incorporating the statistical and size-dependent aspects of failure. We overcome the intrinsic limitations of single periodic unit-based approaches by computing the successive failures of the material components and associated stress redistributions on arbitrary numbers of periodic units. For large size samples, the microscopic cells are replaced by a homogenized continuum with equivalent stochastic and damaged constitutive behavior. After establishing the predictive capabilities of the method, and illustrating its potential relevance to several engineering problems, we employ it in the study of the shape and scaling of strength distributions across differing length-scales for a particular quasi-brittle system. We find that the strength distributions display a Weibull form for samples of size approaching the periodic unit; however, these distributions become closer to normal with further increase in sample size before finally reverting to a Weibull form for macroscopic sized samples. In terms of scaling, we find that the weakest link scaling applies only to microscopic, and not macroscopic scale, samples. These findings are discussed in relation to failure patterns computed at different size-scales. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Genet, Martin; Tomsia, Antoni P.; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Genet, Martin] Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA. [Couegnat, Guillaume] CNRS Univ Bordeaux Herakles CEA, Lab Composites Thermostruct, Pessac, France. [Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Genet, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd MS62-0237, Berkeley, CA 94720 USA. EM mgenet@lbl.gov RI Ritchie, Robert/A-8066-2008; Genet, Martin/H-4247-2015; OI Ritchie, Robert/0000-0002-0501-6998; Genet, Martin/0000-0003-2204-201X; Couegnat, Guillaume/0000-0001-5711-6328 FU Mechanical Behavior Materials Program at the Lawrence Berkeley National Laboratory by the Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Mechanical Behavior Materials Program at the Lawrence Berkeley National Laboratory by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 49 TC 2 Z9 2 U1 4 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD AUG PY 2014 VL 68 BP 93 EP 106 DI 10.1016/j.jmps.2014.03.011 PG 14 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AJ7IL UT WOS:000337870300007 ER PT J AU Zhang, YH Gao, YF Nicola, L AF Zhang, Yunhe Gao, Yanfei Nicola, Lucia TI Lattice rotation caused by wedge indentation of a single crystal: Dislocation dynamics compared to crystal plasticity simulations SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Indentation size effects; Lattice rotation fields; Discrete dislocation plasticity; Dislocation sources and obstacles; Similarity analysis ID STRAIN GRADIENT PLASTICITY; LOCALIZED DEFORMATION; LAW AB A number of recent experimental efforts such as electron back scattering technique and three-dimensional X-ray structural microscopy have revealed the intriguing formation of sectors of lattice rotation fields under indentation. In the case of wedge indentation, the in-plane rotation changes sign from one sector to another. Although the lattice rotation fields can be used to compute the geometrically necessary dislocation (GND) densities, it remains unclear how these sectors can be related to the hardness and therefore to the indentation size effects, i.e., the increase of indentation hardness with the decrease of indentation depth. Crystal plasticity simulations in this work reproduce the experimental findings at large indentation depth. On the contrary, discrete dislocation plasticity can only capture the sectors found experimentally when there is a high obstacle density and large obstacle strength. Obstacle density and strength, however, have little effect on the hardness. In other words, there is no one-to-one correspondence between the lattice rotation patterns and the indentation size effects. The presence of obstacles favors the dislocation arrangements that lead to the experimentally found rotation sectors. Using the similarity solutions of indentation fields and the solution of localized deformation fields near a stationary crack, a simple model is developed that explains the dislocation pattern evolution, its relationship to the lattice misorientations, and more importantly its dependence on obstacles. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Zhang, Yunhe; Nicola, Lucia] Delft Univ Technol, Dept Mat Sci & Engn, NL-2628 CD Delft, Netherlands. [Gao, Yanfei] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Gao, Yanfei] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Nicola, L (reprint author), Delft Univ Technol, Dept Mat Sci & Engn, NL-2628 CD Delft, Netherlands. EM l.nicola@tudelft.nl RI Gao, Yanfei/F-9034-2010; Nicola, Lucia/B-7140-2008 OI Gao, Yanfei/0000-0003-2082-857X; FU Dutch National Scientific Foundation NWO; Dutch Technology Foundation STW [08120]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX L.N. is grateful to the Dutch National Scientific Foundation NWO and Dutch Technology Foundation STW for their financial support (VENI Grant 08120). Y.G. acknowledges the support of the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 20 TC 6 Z9 6 U1 3 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD AUG PY 2014 VL 68 BP 267 EP 279 DI 10.1016/j.jmps.2014.04.006 PG 13 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AJ7IL UT WOS:000337870300017 ER PT J AU Parkes, MV Demir, H Teich-McGoldrick, SL Sholl, DS Greathouse, JA Allendorf, MD AF Parkes, Marie V. Demir, Hakan Teich-McGoldrick, Stephanie L. Sholl, David S. Greathouse, Jeffery A. Allendorf, Mark D. TI Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8 SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE Molecular dynamics simulation; Metal-organic framework; Zeolitic imidazolate framework; Diffusion; Noble gas ID METAL-ORGANIC FRAMEWORKS; ZEOLITIC IMIDAZOLATE FRAMEWORK-8; CARBON-DIOXIDE SEPARATIONS; TRANSITION-STATE THEORY; CANONICAL MONTE-CARLO; FORCE-FIELD; SELF-DIFFUSION; ADSORPTION PROPERTIES; ARBITRARY LOADINGS; HYDROGEN STORAGE AB Molecular dynamics simulations were used to investigate trends in noble gas (Ar, Kr, Xe) diffusion in the metal-organic frameworks HKUST-1 and ZIF-8. Diffusion occurs primarily through inter-cage jump events, with much greater diffusion of guest atoms in HKUST-1 compared to ZIF-8 due to the larger cage and window sizes in the former. We compare diffusion coefficients calculated for both rigid and flexible frameworks. For rigid framework simulations, in which the framework atoms were held at their crystallographic or geometry optimized coordinates, sometimes dramatic differences in guest diffusion were seen depending on the initial framework structure or the choice of framework force field parameters. When framework flexibility effects were included, argon and krypton diffusion increased significantly compared to rigid-framework simulations using general force field parameters. Additionally, for argon and krypton in ZIF-8, guest diffusion increased with loading, demonstrating that guest-guest interactions between cages enhance inter-cage diffusion. No inter-cage jump events were seen for xenon atoms in ZIF-8 regardless of force field or initial structure, and the loading dependence of xenon diffusion in HKUST-1 is different for rigid and flexible frameworks. Diffusion of krypton and xenon in HKUST-1 depends on two competing effects: the steric effect that decreases diffusion as loading increases, and the "small cage effect" that increases diffusion as loading increases. A detailed analysis of the window size in ZIF-8 reveals that the window increases beyond its normal size to permit passage of a (nominally) larger krypton atom. (C) 2014 Elsevier Inc. All rights reserved. C1 [Parkes, Marie V.; Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Demir, Hakan; Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Allendorf, Mark D.] Sandia Natl Labs, Dept Biol & Mat Sci, Livermore, CA 94551 USA. RP Sholl, DS (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM jagreat@sandia.gov FU U.S. Department of Energy; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the U.S. Department of Energy. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 65 TC 18 Z9 18 U1 9 U2 133 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 EI 1873-3093 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD AUG PY 2014 VL 194 BP 190 EP 199 DI 10.1016/j.micromeso.2014.03.027 PG 10 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AJ7HH UT WOS:000337867300025 ER PT J AU Yu, D Bei, H Chen, Y George, EP An, K AF Yu, D. Bei, H. Chen, Y. George, E. P. An, K. TI Phase-specific deformation behavior of a relatively tough NiAl-Cr(Mo) lamellar composite SO SCRIPTA MATERIALIA LA English DT Article DE In situ composites; Neutron diffraction; Toughness; Deformation behavior ID ROD-PLATE TRANSITION; MECHANICAL-PROPERTIES; NEUTRON-DIFFRACTION; EUTECTIC ALLOY; NIAL-CR; FRACTURE; MICROSTRUCTURES; MOLYBDENUM; DUCTILITY; SYSTEMS AB A NiAl-Cr(Mo) nanolayered composite exhibits improved room-temperature toughness in compression compared to its constituent phases, NiAl and Cr solid solution (Cr-ss). Real-time in situ neutron diffraction and post-test microstructural observations show that the Cr layers with thickness of similar to 400 nm can bear very high stresses and deform plastically before fracture, unlike in bulk form, where the Cr solid solution fractures in a relatively brittle fashion at significantly lower stresses, which contribute to the much higher toughness of the composite. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Yu, D.; Chen, Y.; An, K.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Bei, H.; George, E. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Yu, D.] Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China. RP Bei, H (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM beih@ornl.gov; kean@ornl.gov RI An, Ke/G-5226-2011; George, Easo/L-5434-2014; Chen, Yan/H-4913-2014; OI An, Ke/0000-0002-6093-429X; Chen, Yan/0000-0001-6095-1754; Bei, Hongbin/0000-0003-0283-7990 FU U.S. Department of Energy, Office of Fossil Energy, Coal and Power R & D Turbines Program; U.S. Department of Energy, Basic Energy Sciences, Scientific User Facilities Division; China Scholarship Council FX This work was sponsored by the U.S. Department of Energy, Office of Fossil Energy, Coal and Power R & D Turbines Program. Neutron diffraction was carried out at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, supported by the U.S. Department of Energy, Basic Energy Sciences, Scientific User Facilities Division. D.Y. also greatly thanks the China Scholarship Council for financial support during his visit to SNS, ORNL. NR 25 TC 7 Z9 7 U1 3 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2014 VL 84-85 BP 59 EP 62 DI 10.1016/j.scriptamat.2014.04.025 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AJ5YY UT WOS:000337768000015 ER PT J AU Hong, TZ Yang, L Hill, D Feng, W AF Hong, Tianzhen Yang, Le Hill, David Feng, Wei TI Data and analytics to inform energy retrofit of high performance buildings SO APPLIED ENERGY LA English DT Article DE Analytics; Data model; Energy benchmarking; Energy use; High performance buildings; Retrofit ID VENTILATION; SIMULATION; EFFICIENCY; SYSTEMS AB Buildings consume more than one-third of the world's primary energy. Reducing energy use in buildings with energy efficient technologies is feasible and also driven by energy policies such as energy bench-marking, disclosure, rating, and labeling in both the developed and developing countries. Current energy retrofits focus on the existing building stocks, especially older buildings, but the growing number of new high performance buildings built around the world raises a question that how these buildings perform and whether there are retrofit opportunities to further reduce their energy use. This is a new and unique problem for the building industry. Traditional energy audit or analysis methods are inadequate to look deep into the energy use of the high performance buildings. This study aims to tackle this problem with a new holistic approach powered by building performance data and analytics. First, three types of measured data are introduced, including the time series energy use, building systems operating conditions, and indoor and outdoor environmental parameters. An energy data model based on the ISO Standard 12655 is used to represent the energy use in buildings in a three-level hierarchy. Secondly, a suite of analytics were proposed to analyze energy use and to identify retrofit measures for high performance buildings. The data-driven analytics are based on monitored data at short time intervals, and cover three levels of analysis - energy profiling, benchmarking and diagnostics. Thirdly, the analytics were applied to a high performance building in California to analyze its energy use and identify retrofit opportunities, including: (1) analyzing patterns of major energy end-use categories at various time scales, (2) benchmarking the whole building total energy use as well as major end-uses against its peers, (3) benchmarking the power usage effectiveness for the data center, which is the largest electricity consumer in this building, and (4) diagnosing HVAC equipment using detailed time-series operating data. Finally, a few energy efficiency measures were identified for retrofit, and their energy savings were estimated to be 20% of the whole-building electricity consumption. Based on the analyses, the building manager took a few steps to improve the operation of fans, chillers, and data centers, which will lead to actual energy savings. This study demonstrated that there are energy retrofit opportunities for high performance buildings and detailed measured building performance data and analytics can help identify and estimate energy savings and to inform the decision making during the retrofit process. Challenges of data collection and analytics were also discussed to shape best practice of retrofitting high performance buildings. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Hong, Tianzhen; Feng, Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Yang, Le] Tsinghua Univ, Beijing 100084, Peoples R China. [Hill, David] Jones Lang Lassale, West Sacramento, CA 95605 USA. RP Hong, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM thong@LBL.gov OI Hong, Tianzhen/0000-0003-1886-9137 FU United States Department of Energy under the United States - China Clean Energy Research Center for Building Energy Efficiency [DE-AC02-05CH11231] FX This work was supported by the United States Department of Energy under the United States - China Clean Energy Research Center for Building Energy Efficiency with Contract No. DE-AC02-05CH11231. NR 42 TC 26 Z9 26 U1 3 U2 38 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD AUG 1 PY 2014 VL 126 BP 90 EP 106 DI 10.1016/j.apenergy.2014.03.052 PG 17 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AJ4MS UT WOS:000337651100010 ER PT J AU Plimpton, SJ Shead, T AF Plimpton, Steven J. Shead, Tim TI Streaming data analytics via message passing with application to graph algorithms SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Streaming data; Graph algorithms; Message passing; MPI; Sockets; Map Reduce ID MAPREDUCE AB The need to process streaming data, which arrives continuously at high-volume in real-time, arises in a variety of contexts including data produced by experiments, collections of environmental or network sensors, and running simulations. Streaming data can also be formulated as queries or transactions which operate on a large dynamic data store, e.g. a distributed database. We describe a lightweight, portable framework named PHISH which provides a communication model enabling a set of independent processes to compute on a stream of data in a distributed-memory parallel manner. Datums are routed between processes in patterns defined by the application. PHISH provides multiple communication backends including MPI and sockets/ZMQ. The former means streaming computations can be run on any parallel machine which supports MPI; the latter allows them to run on a heterogeneous, geographically dispersed network of machines. We illustrate how streaming MapReduce operations can be implemented using the PHISH communication model, and describe streaming versions of three algorithms for large, sparse graph analytics: triangle enumeration, sub-graph isomorphism matching, and connected component finding. We also provide benchmark timings comparing MPI and socket performance for several kernel operations useful in streaming algorithms. (C) 2014 Elsevier Inc. All rights reserved. C1 [Plimpton, Steven J.; Shead, Tim] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Plimpton, SJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sjplimp@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy, under contract DE-AC04-94AL85000. NR 17 TC 4 Z9 4 U1 0 U2 22 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD AUG PY 2014 VL 74 IS 8 BP 2687 EP 2698 DI 10.1016/j.jpdc.2014.04.001 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA AJ6EH UT WOS:000337782000001 ER PT J AU Chen, L Kang, QJ Carey, B Tao, WQ AF Chen, Li Kang, Qinjun Carey, Bill Tao, Wen-Quan TI Pore-scale study of diffusion-reaction processes involving dissolution and precipitation using the lattice Boltzmann method SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Mass transport; Chemical reaction; Pore scale; Lattice Boltzmann method; Dissolution; Precipitation ID MEMBRANE FUEL-CELL; FINITE-VOLUME METHOD; POROUS-MEDIA; MINERAL COATINGS; MASS-TRANSPORT; SIMULATION; KINETICS; SYSTEMS; MODEL; LAYER AB A pore-scale model combining the lattice Boltzmann method (LBM) and a fluid-solid interface tracking method is employed to simulate the diffusion-reaction processes involving dissolution and precipitation. Coupled sub-processes including mass transport, chemical reactions, and solid structure evolution are considered. Effects of the precipitation of the secondary solid phase on the dissolution of the primary solid phase are investigated under different dissolution-precipitation reaction kinetics, molar volumes of the primary and secondary solid phases, powder size, surface roughness, and nucleation and crystal growth mechanisms. Different morphologies of the precipitates are predicted by the pore-scale simulations. It is found that the precipitation has opposite effects on the underlying dissolution processes. The favorable effect is that the precipitation reaction consumes the product of the dissolution reaction, thus facilitating the dissolution; while the adverse effect is that the generated precipitates cover the surface of the primary solid phase, thus separating the reactive surface from the reactive components. Based on the extent to which the precipitates affect the dissolution, four types of coupled dissolution-precipitation processes are identified and discussed. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Chen, Li; Tao, Wen-Quan] Xi An Jiao Tong Univ, Sch Energy & Power Engn, Key Lab Thermofluid Sci & Engn MOE, Xian 710049, Shaanxi, Peoples R China. [Chen, Li; Kang, Qinjun; Carey, Bill] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Kang, QJ (reprint author), Los Alamos Natl Lab, Computat Earth Sci Grp EES 16, Mail Stop T003, Los Alamos, NM 87545 USA. EM lichennht@gmail.com; qkang@lanl.gov; bcarey@lanl.gov; wqtao@mail.xjtu.edu.cn RI Chen, Li/P-4886-2014; Kang, Qinjun/A-2585-2010 OI Chen, Li/0000-0001-7956-3532; Kang, Qinjun/0000-0002-4754-2240 FU National Nature Science Foundation of China [51136004]; LANL LDRD Program; Institutional Computing Program FX We thank the National Nature Science Foundation of China (No. 51136004) for the support of this work. Q. Kang is grateful for the support from the LANL LDRD Program and Institutional Computing Program. We also appreciate the thorough reviews of Dr. Christian Huber and other two anonymous reviewers. NR 44 TC 18 Z9 19 U1 5 U2 53 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 EI 1879-2189 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD AUG PY 2014 VL 75 BP 483 EP 496 DI 10.1016/j.ijheatmasstransfer.2014.03.074 PG 14 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA AI8TJ UT WOS:000337199600046 ER PT J AU Wirth, M Haase, CM Villeneuve, S Vogel, J Jagust, WJ AF Wirth, Miranka Haase, Claudia M. Villeneuve, Sylvia Vogel, Jacob Jagust, William J. TI Neuroprotective pathways: lifestyle activity, brain pathology, and cognition in cognitively normal older adults SO NEUROBIOLOGY OF AGING LA English DT Article DE Cognitive activity; Physical activity; Cognitive aging; Beta-amyloid; PIB-PET; White matter lesion ID WHITE-MATTER HYPERINTENSITIES; SURFACE-BASED ANALYSIS; PITTSBURGH-COMPOUND-B; AMYLOID-BETA DYNAMICS; HUMAN CEREBRAL-CORTEX; VASCULAR RISK-FACTORS; ALZHEIMERS-DISEASE; PHYSICAL-ACTIVITY; AGING BRAIN; STIMULATING ACTIVITIES AB This study used path analysis to examine effects of cognitive activity and physical activity on cognitive functioning in older adults, through pathways involving beta-amyloid (A beta) burden, cerebrovascular lesions, and neural injury within the brain regions affected in Alzheimer's disease (AD). Ninety-two cognitively normal older adults (75.2 +/- 5.6 years) reported lifetime cognitive activity and current physical activity using validated questionnaires. For each participant, we evaluated cortical A beta burden (using [C-11] labeled Pittsburgh-Compound-B positron emission tomography), cerebrovascular lesions (using magnetic resonance imaging-defined white matter lesion [WML]), and neural integrity within AD regions (using a multimodal neuroimaging biomarker). Path models (adjusted for age, gender, and education) indicated that higher lifetime cognitive activity and higher current physical activity was associated with fewer WMLs. Lower WML volumes were in turn related to higher neural integrity and higher global cognitive functioning. As shown previously, higher lifetime cognitive activity was associated with lower [C-11] labeled Pittsburgh-Compound-B retention, which itself moderated the impact of neural integrity on cognitive functioning. Lifestyle activity may thus promote cognitive health in aging by protecting against cerebrovascular pathology and A beta pathology thought to be relevant to AD development. (C) 2014 Elsevier Inc. All rights reserved. C1 [Wirth, Miranka; Villeneuve, Sylvia; Vogel, Jacob; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Jagust, William J.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. [Haase, Claudia M.] Northwestern Univ, Sch Educ & Social Policy, Evanston, IL USA. RP Wirth, M (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall 3190, Berkeley, CA 94720 USA. EM miranka.wirth@gmail.com FU National Institutes of Health [AG034570]; Swiss National Science Foundation [PA00P1-131515] FX This research work was supported by National Institutes of Health grant AG034570, and the Swiss National Science Foundation grant PA00P1-131515. The authors sincerely thank Grace Tang, Shawn M. Marks, Cindee M. Madison, Suzanne Baker, and Renaud La Joie (all UC Berkeley) for their support in neuroimage (MRI and PET) analysis as well as behavioral data processing or result discussion. NR 97 TC 18 Z9 18 U1 4 U2 32 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0197-4580 EI 1558-1497 J9 NEUROBIOL AGING JI Neurobiol. Aging PD AUG PY 2014 VL 35 IS 8 BP 1873 EP 1882 DI 10.1016/j.neurobiolaging.2014.02.015 PG 10 WC Geriatrics & Gerontology; Neurosciences SC Geriatrics & Gerontology; Neurosciences & Neurology GA AI9LF UT WOS:000337253400011 PM 24656834 ER PT J AU Chien, CC She, JH Cooper, F AF Chien, Chih-Chun She, Jian-Huang Cooper, Fred TI Mean-field description of pairing effects, BKT physics, and superfluidity in 2D Bose gases SO ANNALS OF PHYSICS LA English DT Article DE BKT transition; Superfluid; Large-N expansion; Phase fluctuation; Pseudogap; 2D Bose gas ID CONTINUOUS SYMMETRY GROUP; LONG-RANGE ORDER; 2-DIMENSIONAL SYSTEMS; LARGE N; DESTRUCTION; CONDENSATE; DIMENSIONS; SCATTERING; PSEUDOGAP; MODEL AB We derive a mean-field description for two-dimensional (2D) interacting Bose gases at arbitrary temperatures. We find that genuine Bose-Einstein condensation with long-range coherence only survives at zero temperature. At finite temperatures, many-body pairing effects included in our mean-field theory introduce a finite amplitude for the pairing density, which results in a finite superfluid density. We incorporate Berezinskii-Kosterlitz-Thouless (BKT) physics into our model by considering the phase fluctuations of our pairing field. This then leads to the result that the superfluid phase is only stable below the BKT temperature due to these phase fluctuations. In the weakly interacting regime at low temperature we compare our theory to previous results from perturbative calculations, renormalization group calculations as well as Monte Carlo simulations. We present a finite-temperature phase diagram of 2D Bose gases. One signature of the finite amplitude of the pairing density field is a two-peak structure in the single-particle spectral function, resembling that of the pseudogap phase in 2D attractive Fermi gases. (C) 2014 Elsevier Inc. All rights reserved. C1 [Chien, Chih-Chun; She, Jian-Huang] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Cooper, Fred] Santa Fe Inst, Santa Fe, NM 87501 USA. RP Chien, CC (reprint author), Univ Calif, Merced, CA 95343 USA. EM chienchihchun@gmail.com FU U.S. DOE through the LANL/LDRD Program FX The authors the support of the U.S. DOE through the LANL/LDRD Program. We thank Santa Fe Institute for its hospitality. NR 49 TC 3 Z9 3 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-4916 EI 1096-035X J9 ANN PHYS-NEW YORK JI Ann. Phys. PD AUG PY 2014 VL 347 BP 192 EP 206 DI 10.1016/j.aop.2014.04.019 PG 15 WC Physics, Multidisciplinary SC Physics GA AI7XG UT WOS:000337115700012 ER PT J AU Liu, Y Huang, JS Yang, B Sumpter, BG Qiao, R AF Liu, Ying Huang, Jingsong Yang, Bao Sumpter, Bobby G. Qiao, Rui TI Duality of the interfacial thermal conductance in graphene-based nanocomposites SO CARBON LA English DT Article ID KAPITZA RESISTANCE; HEAT-CONDUCTION; CARBON; TRANSPORT; ENHANCEMENT AB The thermal conductance of graphene-matrix interfaces plays a key role in controlling the thermal properties of graphene-based nanocomposites. Using atomistic simulations, we found that the interfacial thermal conductance depends strongly on the mode of heat transfer at graphene-matrix interfaces: if heat enters graphene from one side of its basal plane and immediately leaves it through the other side, the corresponding interfacial thermal conductance, G(across), is large; if heat enters graphene from both sides of its basal plane and leaves it at a position far away on its basal plane, the corresponding interfacial thermal conductance, G(non-across), is small. For a single-layer graphene immersed in liquid octane, Gacross is similar to 150 MW/m(2)K while G(non-across) is similar to 5 MW/(MK)-K-2. G(across) decreases with increasing multi-layer graphene thickness (i.e., number of layers in graphene) and approaches an asymptotic value of 100 MW/m(2)K for 7-layer graphenes. G(non-across) increases only marginally as the graphene sheet thickness increases. Such a duality of the interface thermal conductance for different probing methods and its dependence on graphene sheet thickness can be traced ultimately to the unique physical and chemical structure of graphene materials. The ramifications of these results in areas such as the optimal design of graphene-based thermal nanocomposites are discussed. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Liu, Ying; Qiao, Rui] Clemson Univ, Dept Mech Engn, Clemson, SC 29634 USA. [Huang, Jingsong; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Huang, Jingsong; Sumpter, Bobby G.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Yang, Bao] Univ Maryland, Dept Mech Engn, College Pk, MD 20742 USA. RP Qiao, R (reprint author), Clemson Univ, Dept Mech Engn, Clemson, SC 29634 USA. EM rqiao@clemson.edu RI Qiao, Rui/B-2350-2009; Huang, Jingsong/A-2789-2008; Sumpter, Bobby/C-9459-2013 OI Qiao, Rui/0000-0001-5219-5530; Huang, Jingsong/0000-0001-8993-2506; Sumpter, Bobby/0000-0001-6341-0355 FU NSF [1336778, 1336590]; HERE program for faculty at the Oak Ridge National Laboratory (ORNL) FX The authors thank the CCIT office at Clemson University for allocation of computing time. R.Q. thank Drs. Feng Wang (University of Arkansas), Dongshan Wei (Chinese Academy of Science), and Peng Yi (MIT) for help during the initial stage of this research. R.Q. and B.Y. acknowledge support from NSF (grant No. 1336778 and 1336590). R.Q. was partially supported by an appointment to the HERE program for faculty at the Oak Ridge National Laboratory (ORNL) administered by ORISE. The authors at ORNL acknowledge the support from the Center for Nanophase Materials Sciences, which is sponsored at ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 37 TC 12 Z9 13 U1 3 U2 52 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD AUG PY 2014 VL 75 BP 169 EP 177 DI 10.1016/j.carbon.2014.03.050 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI5AK UT WOS:000336877600014 ER PT J AU Colorado, HA Singh, D AF Colorado, Henry A. Singh, Dileep TI High-sodium waste streams stabilized with inorganic acid-base phosphate ceramics fabricated at room temperature SO CERAMICS INTERNATIONAL LA English DT Article DE Ceramic matrix composites; Chemically bonded phosphate ceramics; High-sodium waste streams ID NUCLEAR WASTE; IMMOBILIZATION; GLASS; NZP AB A method to stabilize liquid high-sodium waste streams with chemically bonded phosphate ceramics (CBPCs) is presented in this paper. Waste form samples based on CBPC were prepared by mixing a sodium-based waste simulant with calcined magnesium oxide (MgO) and Class C fly ash as filler. The microstructure was identified with X-ray diffraction and electron microscopy. Compressive strength was evaluated for the compositions in which a solid material was obtained. Of the 15 different simulated waste form compositions fabricated, only a few of them did not set into a ceramic material. Immersion tests were conducted over selected compositions. All phases were identified in the solid materials. Results showed that a maximum concentration of 60 wt% NaH2PO4 was attained in the set product showing that CBPC is a promising material for encapsulation of high-sodium nuclear waste. (C) 2014 Elsevier Ltd and Techna Group S.r.l. All rights reserved. C1 [Colorado, Henry A.; Singh, Dileep] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Colorado, Henry A.] Univ Antioquia UdeA, Cements Ceram & Composites Lab, Medellin, Colombia. RP Colorado, HA (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM henryacl@gmail.com; dsingh@anl.gov FU U.S. Department of Energy at Argonne National Laboratory [DE-AC02-06CH11357] FX Henry A. Colorado thanks Colciencias-Universidad de Antioquia (Colombia) for permission to work on this project. The work was supported by the U.S. Department of Energy under Contract number DE-AC02-06CH11357 at Argonne National Laboratory, managed by UChicago Argonne LLC. NR 15 TC 3 Z9 4 U1 1 U2 19 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0272-8842 EI 1873-3956 J9 CERAM INT JI Ceram. Int. PD AUG PY 2014 VL 40 IS 7 BP 10621 EP 10631 DI 10.1016/j.ceramint.2014.03.045 PN B PG 11 WC Materials Science, Ceramics SC Materials Science GA AI6VO UT WOS:000337015300058 ER PT J AU Chen, XY Meijerink, A Liu, GK AF Chen, Xueyuan Meijerink, Andries Liu, Guokui TI Selected papers from DPC'13 held at Fuzhou, Fujian, China, August 4-9, 2013 Preface SO JOURNAL OF LUMINESCENCE LA English DT Editorial Material C1 [Chen, Xueyuan] Chinese Acad Sci, Fujian Inst Res Struct Matter, Beijing 100864, Peoples R China. [Meijerink, Andries] Univ Utrecht, NL-3508 TC Utrecht, Netherlands. [Liu, Guokui] Argonne Natl Lab, Argonne, IL 60439 USA. RP Chen, XY (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, Beijing 100864, Peoples R China. EM xchen@fjirsm.ac.cn; a.meijerink@uu.n1; gkliu@anl.gov RI Meijerink, Andries/C-4897-2009; Institute (DINS), Debye/G-7730-2014 OI Meijerink, Andries/0000-0003-3573-9289; NR 0 TC 0 Z9 0 U1 0 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2014 VL 152 BP 1 EP 1 DI 10.1016/j.jlumin.2014.03.022 PG 1 WC Optics SC Optics GA AI6WN UT WOS:000337017800001 ER PT J AU Liu, GK AF Liu, Guokui TI A degenerate model of vibronic transitions for analyzing 4f-5d spectra SO JOURNAL OF LUMINESCENCE LA English DT Article; Proceedings Paper CT 18th International Conference on Dynamical Processes in Excited States of Solids (DPC) CY AUG 04-09, 2013 CL Fuzhou, PEOPLES R CHINA DE Vibronic coupling; Ce3+; 5d-4f Transitions ID EMISSION-SPECTRA; ABSORPTION; CRYSTALS; IONS; YAG AB Vibronic coupling of the 4f-5d electronic transitions is investigated using Franck-Condon theory of vibronic interactions. To perform quantitative analysis of partially resolved experimental spectra given arise from a large number of vibrational modes and multiple electronic states, a semi-empirical model is established based on frequency degeneracy and line broadening. Instead of taking account all participating modes without experimental information on vibrational frequencies and vibronic coupling strength, this model includes a restricted number of degenerate modes with characteristic frequencies and line widths to simulate the experimental spectra. It is demonstrated that this model can be satisfactorily applied to quantitate the luminescence spectra of Ce3+ in Y3Al5O12 (YAG) and evaluate electronic energy levels, frequencies of leading vibrational modes and their vibronic coupling constant. (C) 2013 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Liu, GK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gkliu@anl.gov NR 17 TC 7 Z9 7 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2014 VL 152 BP 7 EP 10 DI 10.1016/j.jlumin.2013.12.010 PG 4 WC Optics SC Optics GA AI6WN UT WOS:000337017800003 ER PT J AU Brik, MG Ma, CG Liang, HB Ni, HY Liu, GK AF Brik, M. G. Ma, C. -G. Liang, Hongbin Ni, Haiyong Liu, Guokui TI Theoretical analysis of optical spectra of Ce3+ in multi-sites host compounds SO JOURNAL OF LUMINESCENCE LA English DT Article; Proceedings Paper CT 18th International Conference on Dynamical Processes in Excited States of Solids (DPC) CY AUG 04-09, 2013 CL Fuzhou, PEOPLES R CHINA DE Ce3+; 5d-4f emission; Crystal field splitting; Electron-vibrational coupling ID TRANSITIONS; CRYSTALS AB Theoretical analysis of optical properties of two recently synthesized phosphors with the Ce3+ ions (Na3LuSi2O7 and NaSr4(BO3)(3)) was performed. The exchange charge model of crystal field was used to calculate the crystal field parameters and cerium 5d states splittings for each site in Na3LuSi2O7. Analysis of vibronic coupling of Ce3+ in NaSr4(BO3)(3) resulted in a quantitative modeling and theoretical simulation of the experimental spectra. Electronic energy levels, vibrational frequencies and ion-lattice vibronic coupling strength are determined specifically for Ce3+ at different sites. The performed analysis allows for getting detailed description of the optical properties of trivalent cerium in the considered crystals and provides a general guide to understanding and characterizing other Ce3+ activated phosphors. (C) 2013 Elsevier B.V. All rights reserved. C1 [Brik, M. G.; Ma, C. -G.] Univ Tartu, Inst Phys, EE-51014 Tartu, Estonia. [Ma, C. -G.] Chongqing Univ Posts & Telecommun, Coll Math & Phys, Chongqing 400065, Peoples R China. [Liang, Hongbin; Ni, Haiyong] Sun Yat Sen Univ, Sch Chem & Chem Engn, State Key Lab Optoelect Mat & Technol, Guangzhou 510275, Guangdong, Peoples R China. [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Brik, MG (reprint author), Univ Tartu, Inst Phys, Riia 142, EE-51014 Tartu, Estonia. EM brik@fi.tartu.ee RI Ma, Chong-Geng/G-3311-2010; Brik, Mikhail/C-4971-2009 OI Ma, Chong-Geng/0000-0001-8090-1738; Brik, Mikhail/0000-0003-2841-2763 NR 11 TC 3 Z9 3 U1 5 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2014 VL 152 BP 203 EP 205 DI 10.1016/j.jlumin.2013.09.073 PG 3 WC Optics SC Optics GA AI6WN UT WOS:000337017800048 ER PT J AU Lv, LF Jiang, XY Pan, YX Liu, GK Huang, SM AF Lv, Lifen Jiang, Xianyu Pan, Yuexiao Liu, Guokui Huang, Shaoming TI Luminescence properties and thermal stability of a red phosphor ZnSiF6 center dot 6H(2)O:Mn4+ synthesized by the one-step hydrothermal method SO JOURNAL OF LUMINESCENCE LA English DT Article; Proceedings Paper CT 18th International Conference on Dynamical Processes in Excited States of Solids (DPC) CY AUG 04-09, 2013 CL Fuzhou, PEOPLES R CHINA DE Optical materials; Luminescence; Optical properties ID EMITTING PHOSPHOR; MN4+; PHOTOLUMINESCENCE; NANOPARTICLES; EFFICIENCY AB A red phosphor composed of Mn4+ embedded in host lattice of ZnSiF6 center dot 6H(2)O has been prepared by a one-step hydrothermal method. The host lattice ZnSiF6 center dot 6H(2)O is obtained from ZnF, SiO2 and HF. The luminescence center of Mn4+ is formed by incomplete reduction of KMnO4 with HF. The composition and crystal structure have been determined with measurements of XRD, EDS and infrared spectra. The thermal stability has been investigated by TG-DSC. The H2O molecules in the compound are not combined crystal water but structural water that coordinate Zn2+. The luminescence properties of phosphor ZnSiF6 center dot 6H(2)O:Mn4+ at 78 K and 298 K have been investigated. Luminescence quenches at a temperature higher than 200 degrees C mainly which is due to the decomposition of crystal structure. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lv, Lifen; Jiang, Xianyu; Pan, Yuexiao; Huang, Shaoming] Wenzhou Univ, Fac Chem & Mat Engn, Nanomat & Chem Key Lab, Wenzhou 325027, Zhejiang, Peoples R China. [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Pan, YX (reprint author), Wenzhou Univ, Fac Chem & Mat Engn, Nanomat & Chem Key Lab, Wenzhou 325027, Zhejiang, Peoples R China. EM yxpan8@gmail.com; smhuang@wzu.edu.cn NR 29 TC 9 Z9 9 U1 5 U2 64 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2014 VL 152 BP 214 EP 217 DI 10.1016/j.jlumin.2013.10.052 PG 4 WC Optics SC Optics GA AI6WN UT WOS:000337017800051 ER PT J AU Groth, KM Smith, CL Swiler, LP AF Groth, Katrina M. Smith, Curtis L. Swiler, Laura P. TI A Bayesian method for using simulator data to enhance human error probabilities assigned by existing HRA methods SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Human reliability analysis (HRA); Bayesian inference; Simulator data; Nuclear power plant; Human performance data ID HUMAN RELIABILITY-ANALYSIS; RISK-ASSESSMENT; MODEL; NETWORKS AB In the past several years, several international organizations have begun to collect data on human performance in nuclear power plant simulators. The data collected provide a valuable opportunity to improve human reliability analysis (HRA), but these improvements will not be realized without implementation of Bayesian methods. Bayesian methods are widely used to incorporate sparse data into models in many parts of probabilistic risk assessment (PRA), but Bayesian methods have not been adopted by the HRA community. In this paper, we provide a Bayesian methodology to formally use simulator data to refine the human error probabilities (HEPs) assigned by existing HRA methods. We demonstrate the methodology with a case study, wherein we use simulator data from the Halden Reactor Project to update the probability assignments from the SPAR-H method. The case study demonstrates the ability to use performance data, even sparse data, to improve existing HRA methods. Furthermore, this paper also serves as a demonstration of the value of Bayesian methods to improve the technical basis of HRA. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Groth, Katrina M.; Swiler, Laura P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Smith, Curtis L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Groth, KM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM kgroth@sandia.gov OI Groth, Katrina/0000-0002-0835-7798 FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Andreas Bye and Michael Hildebrandt of the Halden Reactor Project for providing the anonymized experimental data and for reviewing this manuscript. The authors also thank Susan Stevens-Adams of Sandia National Laboratories for assistance with data extraction. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 50 TC 6 Z9 6 U1 3 U2 28 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD AUG PY 2014 VL 128 BP 32 EP 40 DI 10.1016/j.ress.2014.03.010 PG 9 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA AI5AM UT WOS:000336877800004 ER PT J AU Brake, MR Hills, DA AF Brake, M. R. Hills, D. A. TI Determination of the limits of quasi-static/rigid and dynamic solutions for problems with frictional interfaces SO TRIBOLOGY INTERNATIONAL LA English DT Article; Proceedings Paper CT 7th International Symposium on Fretting Fatigue (ISFF) CY APR 08-11, 2013 CL Univ Oxford, ChristChurch, Oxford, ENGLAND HO Univ Oxford, ChristChurch DE Quasi-static; Dynamic; Friction; Interface ID INCORPORATING ELASTIC LAYERS; CONTACT PROBLEMS; ENERGY-DISSIPATION; FRETTING CONTACT; BOLTED JOINTS; VIBRATION; PARAMETERS; SHAKEDOWN; SYSTEMS; FLAT AB Frictional interfaces exhibit complex, nonlinear behaviour, and are often sources of energy dissipation, wear, and failure mechanisms. High fidelity models of a system with frictional interfaces, however, can be computationally intensive due to the nonlinearity. Thus, numerous techniques exist that each requires different assumptions for an analysis. One categorical divide in techniques is between quasi-static and dynamic analyses. These two phenomenologically different methods are compared in order to ascertain the regimes over which each of these methods is valid. Understanding of the extent of the inertial dominated and stiffness dominated regimes offers insight into the contribution of wave propagation effects to the system's response at the frictional interface, and determines the limits of applicability of each type of analysis. Published by Elsevier Ltd. C1 [Brake, M. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Hills, D. A.] Univ Oxford, Oxford OX1 3PJ, England. RP Brake, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mrbrake@sandia.gov NR 33 TC 1 Z9 1 U1 1 U2 10 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-679X EI 1879-2464 J9 TRIBOL INT JI Tribol. Int. PD AUG PY 2014 VL 76 SI SI BP 45 EP 56 DI 10.1016/j.triboint.2013.09.008 PG 12 WC Engineering, Mechanical SC Engineering GA AI5ZT UT WOS:000336950300006 ER PT J AU Yu, X Lim, YC Smith, R Babu, SS Farson, DF Lippold, JC McCracken, S AF Yu, X. Lim, Y. C. Smith, R. Babu, S. S. Farson, D. F. Lippold, J. C. McCracken, S. TI Reducing hot cracking tendency of dissimilar weld overlay by magnetic arc oscillation SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Joining; Welding; Grain boundaries; Grain refining; Misorientation; Magnetic oscillation; Dissimilar welding; Alloy 52; Hot cracking ID DUCTILITY DIP CRACKING; BETA TITANIUM-ALLOYS; GRAIN-REFINEMENT; MICROCRACKING SUSCEPTIBILITY; SOLIDIFICATION CRACKING; FILLER METALS; GTA WELDS; PART I; MICROSTRUCTURE; WELDABILITY AB Nickel filler metals are used for joining and repair of dissimilar metal welds in nuclear power plants. However, with some compositions of austenitic stainless steel base metals, weld cracking is observed. In the present work, the solidification cracking behaviour of 52M overlay on stainless steel with and without magnetic stirring was studied. Single, double and triple bead on plate experiments with 52M filler wire were performed on a type 303 stainless steel plate cladding with a single layer of ER308LSi stainless steel. Weldings were then performed with and without magnetic stirring. Although cracking tendency was observed in all experiments, it was seen that magnetic stirring significantly reduced the cracking tendency. Confirmatory electron backscattered diffraction analyses confirmed the grain refinement in 52M beads with magnetic stirring. C1 [Yu, X.; Smith, R.; Babu, S. S.; Farson, D. F.; Lippold, J. C.] Ohio State Univ, Columbus, OH 43210 USA. [Yu, X.; Lim, Y. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [McCracken, S.] Elect Power Res Inst, Welding & Repair Technol Ctr, Charlotte, NC 28262 USA. RP Yu, X (reprint author), Ohio State Univ, 1248 Arthur E Adams Dr, Columbus, OH 43210 USA. EM yu.345@osu.edu RI Babu, Sudarsanam/D-1694-2010; Yu, Xinghua/E-2254-2017; OI Babu, Sudarsanam/0000-0002-3531-2579; Yu, Xinghua/0000-0001-9605-8239; Lim, Yong Chae/0000-0003-2177-3988 FU Electrical Power Research Institute FX The authors would like to acknowledge the financial support from The Electrical Power Research Institute for this research. NR 39 TC 3 Z9 3 U1 4 U2 27 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 0267-0836 EI 1743-2847 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PD AUG PY 2014 VL 30 IS 8 BP 930 EP 937 DI 10.1179/1743284713Y.0000000358 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI3CY UT WOS:000336737800010 ER PT J AU Sikora, JP Carlson, BT Duggins, DO Hammond, KC De Santis, S Tencate, AJ AF Sikora, John P. Carlson, Benjamin T. Duggins, Danielle O. Hammond, Kenneth C. De Santis, Stefano Tencate, Alister J. TI Electron cloud density measurements in accelerator beam-pipe using resonant microwave excitation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Accelerator; Storage ring; Electron cloud; Plasma; Microwave; Resonance AB An accelerator beam can generate low energy electrons in the beam-pipe, generally called electron cloud, that can produce instabilities in a positively charged beam. One method of measuring the electron cloud density is by coupling microwaves into and out of the beam-pipe and observing the response of the microwaves to the presence of the electron cloud. In the original technique, microwaves are transmitted through a section of beam-pipe and a change in EC density produces a change in the phase of the transmitted signal. This paper describes a variation on this technique in which the beam-pipe is resonantly excited with microwaves and the electron cloud density calculated from the change that it produces in the resonant frequency of the beam-pipe. The resonant technique has the advantage that measurements can be localized to sections of beam-pipe that are a meter or less in length with a greatly improved signal to noise ratio. (C) 2014 Elsevier B.V. All rights reserved C1 [Sikora, John P.] Cornell Univ, CLASSE, Ithaca, NY 14853 USA. [Carlson, Benjamin T.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Duggins, Danielle O.] Gordon Coll, Wenham, MA 01984 USA. [Hammond, Kenneth C.] Columbia Univ, New York, NY 10027 USA. [De Santis, Stefano] LBNL, Berkeley, CA 94720 USA. [Tencate, Alister J.] Idaho State Univ, Pocatello, ID 83209 USA. RP Sikora, JP (reprint author), Cornell Univ, CLASSE, Ithaca, NY 14853 USA. EM jps13@cornell.edu OI Hammond, Kenneth/0000-0002-1104-4434 FU US National Science Foundation [PHY-0734867, PHY-1002467]; US Department of Energy [DE-FC02-08ER41538, DE-SC0006505]; Research Experience for Undergraduates program of the National Science Foundation [PHY-0849885, PHY-1156553] FX This work is supported by the US National Science Foundation PHY-0734867 and PHY-1002467 and as well as the US Department of Energy DE-FC02-08ER41538 and DE-SC0006505. We would like to thank Yulin Li and the members of the CESR vacuum group for giving us the opportunity to perform bead pull measurements on the L3 vacuum chamber assembly. We are also grateful for the support of the Research Experience for Undergraduates program of the National Science Foundation PHY-0849885 and PHY-1156553. NR 25 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2014 VL 754 BP 28 EP 35 DI 10.1016/j.nima.2014.03.063 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AI0PB UT WOS:000336548600005 ER PT J AU Engle, JW James, MR Mashnik, SG Kelsey, CT Wolfsberg, LE Reass, DA Connors, MA Bach, HT Fassbender, ME John, KD Birnbaum, ER Nortier, FM AF Engle, Jonathan W. James, Michael R. Mashnik, Stepan G. Kelsey, Charles T. Wolfsberg, Laura E. Reass, David A. Connors, Michael A. Bach, Hong T. Fassbender, Michael E. John, Kevin D. Birnbaum, Eva R. Nortier, Francois M. TI MCNPX characterization of the secondary neutron flux at the Los Alamos Isotope Production Facility SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Spallation neutrons; Isotope production; Proton irradiation; Fusion energy research ID CROSS-SECTIONS; PROTON IRRADIATION; RELEVANT; DECAY AB The spallation neutron flux produced from proton irradiation of rubidium chloride and gallium targets at the Los Alamos National Laboratory (LANL) Isotope Production Facility (IPF) was investigated using the activation foil technique and computational simulation. Routine irradiations have been found to produce fluxes as high as 10(12) n cm(-2) s(-1), with approximately 50% of the total flux having energy in excess of 1 MeV. Measurements of activation foils are compared with the predicted radionuclide yield using nuclear excitation functions from MCNPX event generators, evaluated nuclear data, and the TALYS nuclear code. Practical application of the secondary neutron flux in the realm of radioisotope production is considered. (C) 2014 Elsevier B.V. All rights reserved. C1 [Engle, Jonathan W.; James, Michael R.; Mashnik, Stepan G.; Kelsey, Charles T.; Wolfsberg, Laura E.; Reass, David A.; Connors, Michael A.; Bach, Hong T.; Fassbender, Michael E.; John, Kevin D.; Birnbaum, Eva R.; Nortier, Francois M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Engle, JW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jwengle@lanl.gov OI John, Kevin/0000-0002-6181-9330; Nortier, Francois/0000-0002-7549-8101 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory with partial funding by the U.S. DOE Office of Science [DE-AC52-06NA253996]; LANL Lab Directed Research and Development (LDRD) FX This study was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract no. DE-AC52-06NA253996 with partial funding by the U.S. DOE Office of Science via an award from The Isotope Development and Production for Research and Applications subprogram in the Office of Nuclear Physics. We gratefully acknowledge the skilled technical assistance of LANL C-NR, C-IIAC, AOT-OPS, and LANSCE-NS groups' staff. JWE gratefully acknowledges fellowship support from the LANL Lab Directed Research and Development (LDRD) program. NR 37 TC 2 Z9 2 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2014 VL 754 BP 71 EP 82 DI 10.1016/j.nima.2014.03.049 PG 12 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AI0PB UT WOS:000336548600011 ER PT J AU Najm, HN Malorani, M AF Najm, Habib N. Malorani, Mauro TI Enforcing positivity in intrusive PC-UQ methods for reactive ODE systems SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Uncertainty quantification; Polynomial chaos; Intrusive; Ordinary differential equations; Stability ID PARTIAL-DIFFERENTIAL-EQUATIONS; GENERALIZED POLYNOMIAL CHAOS; STOCHASTIC COLLOCATION METHOD; RANDOM INPUT DATA; FINITE-ELEMENT-ANALYSIS; UNCERTAINTY QUANTIFICATION; CHEMICAL-SYSTEMS; FLOW SIMULATIONS; QUANTIFYING UNCERTAINTY; NATURAL-CONVECTION AB We explore the relation between the development of a non-negligible probability of negative states and the instability of numerical integration of the intrusive Galerkin ordinary differential equation system describing uncertain chemical ignition. To prevent this instability without resorting to either multi-element local polynomial chaos (PC) methods or increasing the order of the PC representation in time, we propose a procedure aimed at modifying the amplitude of the PC modes to bring the probability of negative state values below a user-defined threshold. This modification can be effectively described as a filtering procedure of the spectral PC coefficients, which is applied on-the-fly during the numerical integration when the current value of the probability of negative states exceeds the prescribed threshold. We demonstrate the filtering procedure using a simple model of an ignition process in a batch reactor. This is carried out by comparing different observables and error measures as obtained by non-intrusive Monte Carlo and Gauss-quadrature integration and the filtered intrusive procedure. The filtering procedure has been shown to effectively stabilize divergent intrusive solutions, and also to improve the accuracy of stable intrusive solutions which are close to the stability limits. (C) 2014 Elsevier Inc. All rights reserved. C1 [Najm, Habib N.] Sandia Natl Labs, Livermore, CA 94551 USA. [Malorani, Mauro] Univ Roma La Sapienza, Dept Mech & Aerosp Engn, I-00185 Rome, Italy. RP Najm, HN (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. OI VALORANI, Mauro/0000-0002-8260-6297 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences, and Biosciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Italian Ministry of University and Research (MIUR) FX HNN acknowledges the support of the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences, and Biosciences. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. MV acknowledges the support of the Italian Ministry of University and Research (MIUR). NR 82 TC 4 Z9 4 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD AUG 1 PY 2014 VL 270 BP 544 EP 569 DI 10.1016/j.jcp.2014.03.061 PG 26 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AH8RP UT WOS:000336406200030 ER PT J AU Smith, EA Cinquin, BP Do, M McDermott, G Le Gros, MA Larabell, CA AF Smith, Elizabeth A. Cinquin, Bertrand P. Do, Myan McDermott, Gerry Le Gros, Mark A. Larabell, Carolyn A. TI Correlative cryogenic tomography of cells using light and soft x-rays SO ULTRAMICROSCOPY LA English DT Article DE Cell structure; Imaging; Molecular localization ID STRUCTURED ILLUMINATION MICROSCOPY; ELECTRON-MICROSCOPY; CRYOELECTRON TOMOGRAPHY; BIOLOGICAL APPLICATIONS; DIFFRACTION MICROSCOPY; PROTEIN LOCALIZATION; FLUORESCENCE; RESOLUTION; SPECIMENS; RADIATION AB Correlated imaging is the process of imaging a specimen with two complementary modalities, and then combining the two data sets to create a highly informative, composite view. A recent implementation of this concept has been the combination of soft x-ray tomography (SXT) with fluorescence cryogenic microscopy (FCM). SXT-FCM is used to visualize cells that are held in a near native, cryopreserved. The resultant images are, therefore, highly representative of both the cellular architecture and molecular organization in vivo. SXT quantitatively visualizes the cell and sub cellular structures; FCM images the spatial distribution of fluorescently labeled molecules. Here, we review the characteristics of SXT-FCM, and briefly discuss how this method compares with existing correlative imaging techniques. We also describe how the incorporation of a cryo-rotation stage into a cryogenic fluorescence microscope allows acquisition of fluorescence cryogenic tomography (FCT) data. PET is optimally suited for correlation with SXT, since both techniques image the specimen in 3-D, potentially with similar, isotropic spatial resolution. (C) 2013 Elsevier BM. All rights reserved. C1 [Smith, Elizabeth A.; Cinquin, Bertrand P.; Do, Myan; McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif San Francisco, Dept Anat, Sch Med, San Francisco, CA 94143 USA. [Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Smith, Elizabeth A.; Cinquin, Bertrand P.; Do, Myan; McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Adv Light Source, Natl Ctr Xray Tomog, Berkeley, CA USA. RP Le Gros, MA (reprint author), Univ Calif San Francisco, Dept Anat, 1550 4th St,Box 2722, San Francisco, CA 94143 USA. EM MALegros@lbl.gov; carolyn.larabell@ucsf.edu FU US Department of Energy, Office of Biological and Environmental Research [DE-ACO205CH11231]; National Center for Research Resources of the National Institutes of Health [P41KR019664]; National Institutes of General Medicine of the National Institutes of Health [GM63948]; Gordon and Betty Moore Foundation FX This work was supported by the US Department of Energy, Office of Biological and Environmental Research (DE-ACO205CH11231), the National Center for Research Resources of the National Institutes of Health (P41KR019664) and the National Institutes of General Medicine of the National Institutes of Health (GM63948), and the Gordon and Betty Moore Foundation. NR 57 TC 12 Z9 12 U1 2 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD AUG PY 2014 VL 143 BP 33 EP 40 DI 10.1016/j.ultramic.2013.10.013 PG 8 WC Microscopy SC Microscopy GA AH8HF UT WOS:000336377100005 PM 24355261 ER PT J AU Jones, MWM Dearnley, MK van Riessen, GA Abbey, B Putkunz, CT Junker, MD Vine, DJ McNulty, I Nugent, KA Peele, AG Tilley, L AF Jones, Michael W. M. Dearnley, Megan K. van Riessen, Grant A. Abbey, Brian Putkunz, Corey T. Junker, Mark D. Vine, David J. McNulty, Ian Nugent, Keith A. Peele, Andrew G. Tilley, Leann TI Rapid, low dose X-ray diffractive imaging of the malaria parasite Plasmodium falciparum SO ULTRAMICROSCOPY LA English DT Article DE Phase-diversity; Ptychography; Diffractive imaging; Biological imaging; Correlative imaging ID MICROSCOPY; CELLS; WHOLE; TOMOGRAPHY; RESOLUTION; PROTEIN AB Phase-diverse X-ray coherent diffractive imaging (CDI) provides a route to high sensitivity and spatial resolution with moderate radiation dose It also provides a robust solution to the well-known phaseproblem, making on-line image reconstruction feasible. Here we apply phase-diverse CDI to a cellular sample, obtaining images of an erythrocyte infected by the sexual stage of the malaria parasite, Plasmodium falciparum, with a radiation dose significantly lower than the lowest dose previously reported for cellular imaging using CM. The high sensitivity and resolution allow key biological features to be identified within intact cells, providing complementary information to optical and electron microscopy. This high throughput method could be used for fast tomographic imaging, or to generate multiple replicates in two dimensions of hydrated biological systems without freezing or fixing. This work demonstrates that phase diverse CD! is a valuable complementary imaging method for the biological sciences and ready for immediate application. (C) 2013 Elsevier BM. All rights reserved. C1 [Jones, Michael W. M.; van Riessen, Grant A.; Abbey, Brian; Junker, Mark D.; Nugent, Keith A.; Peele, Andrew G.] La Trobe Univ, Dept Phys, ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. [Dearnley, Megan K.; Tilley, Leann] Univ Melbourne, Dept Biochem & Mol Biol, Inst Bio21, ARC Ctr Excellence Coherent Xray Sci, Melbourne, Vic 3010, Australia. [Putkunz, Corey T.] Univ Melbourne, Sch Phys, ARC Ctr Excellence Coherent Xray Sci, Melbourne, Vic 3010, Australia. [Vine, David J.; McNulty, Ian] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Peele, Andrew G.] Australian Synchrotron, Clayton, Vic 3168, Australia. [Abbey, Brian] Melbourne Ctr Nanofabricat, Melbourne, Vic 3168, Australia. [McNulty, Ian] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Jones, MWM (reprint author), La Trobe Univ, Dept Phys, ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. EM michael.jones@latrobe.edu.au RI Abbey, Brian/D-3274-2011; van Riessen, Grant/H-3840-2011; Nugent, Keith/I-4154-2016; OI Abbey, Brian/0000-0001-6504-0503; van Riessen, Grant/0000-0002-6240-7143; Nugent, Keith/0000-0002-4281-3478; Jones, Michael/0000-0002-0720-8715 FU Australian Research Council Centre of Excellence for Coherent X-ray Science; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-ACO2-06C1-111357] FX The authors acknowledge support from the Australian Research Council Centre of Excellence for Coherent X-ray Science, We acknowledge travel funding provided by the International Synchrotron Access Program (ISAP) managed by the Australian Synchrotron and funded by the Australian Government. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract no. DE-ACO2-06C1-111357. NR 30 TC 11 Z9 11 U1 0 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD AUG PY 2014 VL 143 BP 88 EP 92 DI 10.1016/j.ultramic.2013.09.003 PG 5 WC Microscopy SC Microscopy GA AH8HF UT WOS:000336377100010 PM 24209602 ER PT J AU Wang, L Lei, HW Bu, Q Ren, SJ Wei, Y Zhu, L Zhang, XS Liu, YP Yadavalli, G Lee, J Chen, SL Tang, J AF Wang, Lu Lei, Hanwu Bu, Quan Ren, Shoujie Wei, Yi Zhu, Lei Zhang, Xuesong Liu, Yupeng Yadavalli, Gayatri Lee, John Chen, Shulin Tang, Juming TI Aromatic hydrocarbons production from ex situ catalysis of pyrolysis vapor over Zinc modified ZSM-5 in a packed-bed catalysis coupled with microwave pyrolysis reactor SO FUEL LA English DT Article DE Ex situ catalytic pyrolysis; Microwave pyrolysis; Douglas fir sawdust pellet; Zn/ZSM-5 catalyst; Aromatic hydrocarbons ID BIOMASS PYROLYSIS; REACTION PATHWAYS; ZEOLITE CATALYST; BIO-OIL; ZN/H-ZSM-5; FUELS; H-ZSM-5; ALKANES; PELLETS; PINE AB Ex situ catalytic pyrolysis of biomass through a packed-bed catalysis close coupled with microwave pyrolysis was investigated to convert Douglas fir sawdust pellets to aromatic hydrocarbons by Zn/ZSM-5 catalyst. A comparison test from five different Zn loadings (0, 0.5, 1, 2, 5 wt.%) was first conducted, and it was found that the highest amount of aromatic hydrocarbons was produced from 0.5% Zn loaded on ZSM-5. Then a central composite experimental design (CCD) was used to optimize the upgraded bio-oil and syngas yields with 0.5% Zn loaded in ZSM-5. In comparison to the non-catalytic experiment, all the catalysts decreased the bio-oil yield and increased the syngas production. The product yields from Zn/ZSM-5 were sensitive with reaction conditions as the bio-oil yields varied between 22.3% and 44.8% compared with 32.2% and 37.8% over ZSM-5 catalyst, and syngas yields from 33.3% to 55.5% vs. 38.8% to 43.7% on ZSM-5 catalyst. GC/MS analysis showed that aromatic hydrocarbons become the most abundant compounds in the bio-oil. The high amount of aromatic hydrocarbons in the upgraded bio-oils from GC/MS analysis was confirmed by the FTIR analysis. The aromatic hydrocarbon was increased when the packed-bed temperature and inverse weight hourly space velocity (WHSV) (1) were increased. The comparison of coking on ZSM-5 and Zn/ZSM-5 catalysts at different reaction conditions showed that the coking increased with increasing (WHSV) (1) and decreasing packed-bed temperatures. Zn/ZSM-5 had lower coking than ZSM-5 on all the reaction conditions except packed-bed temperature at 269 degrees C and (WHSV) (1) at 0.048. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Wang, Lu; Lei, Hanwu; Bu, Quan; Ren, Shoujie; Wei, Yi; Zhu, Lei; Zhang, Xuesong; Liu, Yupeng; Yadavalli, Gayatri; Chen, Shulin; Tang, Juming] Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. [Lee, John] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lei, HW (reprint author), Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. EM hlei@wsu.edu RI ren, shoujie/P-1384-2014 FU Joint Center for Aerospace and Technology Innovation (JCATI); Department of Biological Systems Engineering at Washington State University FX This work was supported in partial by the Joint Center for Aerospace and Technology Innovation (JCATI) and Department of Biological Systems Engineering at Washington State University. We thank Dr. Aftab Ahamed for helping us run GCMS measurements. NR 39 TC 17 Z9 18 U1 8 U2 61 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD AUG 1 PY 2014 VL 129 BP 78 EP 85 DI 10.1016/j.fuel.2014.03.052 PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AG9NF UT WOS:000335745400010 ER PT J AU Coughlin, K Murthi, A Eto, J AF Coughlin, Katie Murthi, Aditya Eto, Joseph TI Multi-scale analysis of wind power and load time series data SO RENEWABLE ENERGY LA English DT Article DE Wind power; Time series analysis; Wavelets; Wind integration; Self-similarity ID WAVELET REPRESENTATION; TURBULENCE; SPECTRUM; CASCADE AB This paper presents novel analyses of high-resolution wind power and electric system load time series data. We use a discrete wavelet transform to resolve the data into independent time series of step changes (deltas) at different time scales, and present a variety of statistical metrics as a function of the time scale. We show that the probability distribution for wind power deltas is not Gaussian, has an exponential shape near the center and is well fit by a power-law in the tails. We provide a physical interpretation for the observed power-law behavior, and discuss the potential significance for modeling studies, prediction of extreme events, and the extrapolation of statistical characteristics to higher wind penetration levels. Several metrics are presented to quantify the degree of auto-correlation in the wind data, and of the correlations between wind and load. We show that the shape of the autocorrelation function is the same at different time scales, a property of self-similar statistical processes that is consistent with the observed power-law behavior. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Coughlin, Katie; Murthi, Aditya; Eto, Joseph] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Coughlin, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM kcoughlin@lbl.gov FU Federal Energy Regulatory Commission, Office of Electric Reliability; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was funded by the Federal Energy Regulatory Commission, Office of Electric Reliability. The Lawrence Berkeley National Laboratory is operated by the University of California for the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 30 TC 8 Z9 9 U1 0 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD AUG PY 2014 VL 68 BP 494 EP 504 DI 10.1016/j.renene.2014.02.011 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AG8ZG UT WOS:000335706800054 ER PT J AU Neubauer, J Wood, E AF Neubauer, Jeremy Wood, Eric TI Thru-life impacts of driver aggression, climate, cabin thermal management, and battery thermal management on battery electric vehicle utility SO JOURNAL OF POWER SOURCES LA English DT Article DE Battery lifetime analysis and simulation tool for vehicles; Battery ownership model; Climate; HVAC; Battery thermal management; Driver aggression AB Battery electric vehicles (BEVs) offer the potential to reduce both oil imports and greenhouse gas emissions, but have a limited utility that is affected by driver aggression and effects of climate both directly on battery temperature and indirectly through the loads of cabin and battery thermal management systems. Utility is further affected as the battery wears through life in response to travel patterns, climate, and other factors. In this paper we apply the National Renewable Energy Laboratory's Battery Lifetime Analysis and Simulation Tool for Vehicles (BLAST-V) to examine the sensitivity of BEV utility to driver aggression and climate effects over the life of the vehicle. We find the primary challenge to cold-climate BEV operation to be inefficient cabin heating systems, and to hot-climate BEV operation to be high peak on-road battery temperatures and excessive battery degradation. Active cooling systems appear necessary to manage peak battery temperatures of aggressive, hot-climate drivers, which can then be employed to maximize thru-life vehicle utility. (C) 2014 Elsevier B.V. All rights reserved. C1 [Neubauer, Jeremy; Wood, Eric] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Neubauer, J (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM Jeremy.Neubauer@nrel.gov FU Dave Howell and Brian Cunningham of the Energy Storage; Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy FX This study was supported by Dave Howell and Brian Cunningham of the Energy Storage, Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy. The use of the battery degradation and FASTSim tools, both developed at the National Renewable Energy Laboratory under funding from the U.S. Department of Energy's Vehicle Technologies Program, was critical to the completion of this study. Special thanks to Kandler Smith for developing and supporting the integration of the battery degradation model and Ahmad Pesaran, the National Renewable Energy Laboratory's Energy Storage team leader, for his continual guidance. NR 15 TC 16 Z9 16 U1 0 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2014 VL 259 BP 262 EP 275 DI 10.1016/j.jpowsour.2014.02.083 PG 14 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA AG0JD UT WOS:000335100900031 ER PT J AU van Dam, KK Lansing, C Elsethagen, T Hathaway, J Guillen, Z Dirks, J Skorski, D Stephan, E Gorrissen, W Gorton, I Liu, Y AF van Dam, Kerstin Kleese Lansing, Carina Elsethagen, Todd Hathaway, John Guillen, Zoe Dirks, James Skorski, Daniel Stephan, Eric Gorrissen, Will Gorton, Ian Liu, Yan TI Nationwide buildings energy research enabled through an integrated data intensive SO BUILDING SIMULATION LA English DT Article DE building energy; data analysis; scientific workflow; data intensive; data management; Hadoop; RHIPE ID MANAGEMENT; FRAMEWORK; SYSTEM AB Modern workflow systems can enable scientists to run ensemble simulations at unprecedented scales and levels of complexity, allowing them to study system sizes previously impossible to achieve. However as a result of these new capabilities the science teams suddenly also face unprecedented data volumes that they are unable to analyze with their existing tools and methodologies in a timely fashion. In this paper we describe the ongoing development work to create an integrated data intensive scientific workflow and analysis environment that offers researchers the ability to easily create and execute complex simulation studies and provides them with different scalable methods to analyze the resulting data volumes. The capabilities of the new environment are demonstrated on a use case that focuses on building energy modeling. As part of the PNNL research initiative PRIMA (Platform for Regional Integrated Modeling and Analysis) the team performed an initial 3-year study of building energy demands for the US Eastern Interconnect domain. They are now planning to extend to predict the demand for the complete century. In the 3-year study the team simulated 2000 individual building types for 100 independent climate similar regions (600 000 individual runs) raising their data demands from a few MBs to 400 GB for the 3-year study. C1 [van Dam, Kerstin Kleese; Lansing, Carina; Elsethagen, Todd; Hathaway, John; Guillen, Zoe; Dirks, James; Skorski, Daniel; Stephan, Eric; Gorrissen, Will] Pacific NW Natl Lab, Richland, WA 99352 USA. [Gorton, Ian] Carnegie Mellon Univ, Inst Software Engn, Pittsburgh, PA 15213 USA. [Liu, Yan] Concordia Univ, Fac Engn & Comp Sci, Montreal, PQ, Canada. RP van Dam, KK (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM Kerstin.kleesevandam@pnnl.gov OI Hathaway, John/0000-0002-1574-0832; Stephan, Eric/0000-0002-8155-6806 NR 18 TC 0 Z9 0 U1 1 U2 16 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1996-3599 EI 1996-8744 J9 BUILD SIMUL-CHINA JI Build. Simul. PD AUG PY 2014 VL 7 IS 4 BP 335 EP 343 DI 10.1007/s12273-014-0171-x PG 9 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA AE8SF UT WOS:000334271400002 ER PT J AU Nova, I Epling, B Peden, C AF Nova, Isabella Epling, Bill Peden, Chuck TI Challenges for catalytic exhaust aftertreatment Preface SO CATALYSIS TODAY LA English DT Editorial Material C1 [Nova, Isabella] Politecn Milan, Dipartimento Energia, Lab Catalysis & Catalyt Proc, I-20133 Milan, Italy. [Epling, Bill] Univ Houston, Houston, TX USA. [Peden, Chuck] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Nova, I (reprint author), Politecn Milan, Dipartimento Energia, Lab Catalysis & Catalyt Proc, I-20133 Milan, Italy. EM isabella.nova@polimi.it RI nova, isabella/I-2395-2015 OI nova, isabella/0000-0001-7239-2785 NR 0 TC 2 Z9 2 U1 0 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 1 EP 2 DI 10.1016/j.cattod.2014.02.017 PG 2 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900001 ER PT J AU Bauer, JC Toops, TJ Oyola, Y Parks, JE Dai, S Overbury, SH AF Bauer, J. Chris Toops, Todd J. Oyola, Yatsandra Parks, James E., II Dai, Sheng Overbury, Steven H. TI Catalytic activity and thermal stability of Au-CuO/SiO2 catalysts for the low temperature oxidation of CO in the presence of propylene and NO SO CATALYSIS TODAY LA English DT Article DE Gold catalysis; Emissions control; Durability; Inhibition ID NIAU ALLOY NANOPARTICLES; GOLD NANOPARTICLES; CARBON-MONOXIDE; PROPENE EPOXIDATION; METHANE OXIDATION; AU; REDUCTION; PERFORMANCE; SILICA; PHASE AB Oxidation catalysts in emissions control systems generally contain Pd/Pt and require exhaust temperatures above 200 C to operate, but under low-temperature conditions, oxidation of CO and hydrocarbons are challenging. As engine efficiency improves and exhaust temperature decreases, there is an increasing demand for high emissions control performance at low temperatures. Therefore, it becomes imperative to design new catalysts that are active at low operating temperatures. Au-CuOx, catalysts, made through the oxidation of AuCu alloy nanoparticles, have been found to be highly active for the oxidation of CO at low reaction temperatures. The catalytic activity for the conversion of CO using Au-CuOx/SiO2 was evaluated under simulated lean exhaust conditions (CO, C3H6, NO, H2O,O-2 and Ar). It was found that the oxidation of CO over the Au-CuOx/SiO2 catalyst was inhibited when C3H6 or NO was introduced into the reaction stream. Interestingly, a physical mixture of Au-CuOx/SiO2 and Pt/Al2O3 worked in synergy to enhance the oxidation of NO to NO2 with 90% conversion near 300 C in the presence of CO. This reactivity is on par with Pt/Al2O3 NO oxidation activity in the absence of CO. The Au-CuOx/SiO2 catalysts were also found to be thermally stable after being aged up to 700 degrees C for 10 h. The resistance to particle sintering can be attributed to the CuOx, "anchoring" the Au particles to the silica support. (C) 2014 Elsevier B.V. All rights reserved. C1 [Bauer, J. Chris; Toops, Todd J.; Oyola, Yatsandra; Parks, James E., II; Dai, Sheng; Overbury, Steven H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bauer, JC (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM chris.bauer@evonik.com; toopstj@ornl.gov RI Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 FU U.S. Department of Energy (DOE); Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences; Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; UT-Battelle, LLC with the U.S. DOE [DE-ACO5-000R22725] FX This research was sponsored by the U.S. Department of Energy (DOE); both the Office of Energy Efficiency and Renewable Energy Vehicle Technologies Program (Bauer, Toops and Parks) and the Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences (Oyola, Dai and Overbury) contributed to the support. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This effort has been authored by UT-Battelle, LLC, under Contract No. DE-ACO5-000R22725 with the U.S. DOE. NR 53 TC 13 Z9 14 U1 14 U2 214 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 15 EP 21 DI 10.1016/j.cattod.2014.01.040 PG 7 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900003 ER PT J AU DiGiulio, CD Pihl, JA Parks, JE Amiridis, MD Toops, TJ AF DiGiulio, Christopher D. Pihl, Josh A. Parks, James E., II Amiridis, Michael D. Toops, Todd J. TI Passive-ammonia selective catalytic reduction (SCR): Understanding NH3 formation over close-coupled three way catalysts (TWC) SO CATALYSIS TODAY LA English DT Article DE Three way catalyst (TWC); Selective catalytic reduction (SCR); Passive-NH3 SCR ID IN-SITU FTIR; SUPPORTED RHODIUM CATALYSTS; NOBLE-METAL CATALYSTS; NOX TRAP CATALYST; OF-THE-ART; NITRIC-OXIDE; 3-WAY CATALYST; CHEMISORBED NITROGEN; STORAGE CATALYSTS; REACTION-KINETICS AB NH3 formation was examined under steady-state and lean/rich cycling conditions over four commercial catalysts including: (1) a Pd-only, high precious metal loading (HPGM) three-way catalyst, (2) a Pd/Rh + CeO2, low precious metal loading (LPGM) three-way catalyst, (3) a combination of a HPGM and a LPGM (Dual-Zone) catalyst and (4) a lean NOx trap (LNT) catalyst. The goal of this work was to evaluate these catalysts for their potential use as the upstream component in a pas sive-NH3 SCR configuration. NH3 formation during steady-state operation was found to be dependent on the air-to-fuel ratio (AFR), temperature and catalytic formulation used. While all of the formulations produced significant amounts of NH3 when operated under sufficiently rich conditions, in general the steady-state NH3 yield decreased in the following order: HPGM >= Dual-Zone >> LPGM approximate to LNT. Under lean-rich cycling conditions that would be required for this mode of operation, lower air-to-fuel ratios were required to generate the same amount of NH3 as under steady-state conditions. Results obtained with the LNT catalyst demonstrated that at moderate temperatures (i.e., 275-500 degrees C) NOx storage capacity significantly increased the amount of NH3 produced in relation to the amount of NOx slipped. Consequently, the addition of an "optimum" amount of NOx storage capacity in addition to well-controlled lean-rich timing, could significantly improve the performance of the three-way catalyst used as the upstream component in a passive-NH3 SCR configuration. When the CO, C3H6 and N2O concentrations in the effluent were considered in addition to the NH3 formation, an optimum temperature of 400-450 degrees C was determined for the operation of these catalysts. (C) 2014 Elsevier B.V. All rights reserved. C1 [DiGiulio, Christopher D.; Amiridis, Michael D.] Univ S Carolina, Dept Chem Engn, Swearingen Engn Ctr, Columbia, SC 29208 USA. [Pihl, Josh A.; Parks, James E., II; Toops, Todd J.] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Oak Ridge, TN 37830 USA. RP Toops, TJ (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 1 Bethel Valley Rd, Oak Ridge, TN 37830 USA. EM amiridis@sc.edu; toopstj@ornl.gov FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program; UT-Battelle, LLC [DE-ACO5-000R22725] FX A portion of this research was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. The authors at ORNL wish to express their gratitude to program managers Ken Howden and Gurpreet Singh for their support. This manuscript has been co-authored by UT-Battelle, LLC, under Contract No. (DE-ACO5-000R22725(with the U.S. Department of Energy. The publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. Additionally, the authors would like to acknowledge the contributions of Wei Li, Chang Kim and Kushal Narayanaswamy of General Motors and Davion Clark and Christopher Owens of Umicore for valuable discussions and guidance in portions of this work. NR 76 TC 6 Z9 6 U1 10 U2 93 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 33 EP 45 DI 10.1016/j.cattod.2014.01.027 PG 13 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900005 ER PT J AU Pihl, JA Toops, TJ Fisher, GB West, BH AF Pihl, Josh A. Toops, Todd J. Fisher, Galen B. West, Brian H. TI Selective catalytic reduction of nitric oxide with ethanol/gasoline blends over a silver/alumina catalyst SO CATALYSIS TODAY LA English DT Article DE Ethanol; SCR; Lean NO chi; Silver alumina ID AG/AL2O3 CATALYST; NOX REDUCTION; ETHANOL; SCR; HYDROGEN; SILVER; SO2; HYDROCARBONS; AMMONIA; C2H5OH AB Lean gasoline engines running on ethanol/gasoline blends and equipped with a silver/alumina catalyst for selective catalytic reduction (SCR) of NO by ethanol provide a pathway to reduced petroleum consumption through both increased biofuel utilization and improved engine efficiency relative to the current stoichiometric gasoline engines that dominate the U.S. light duty vehicle fleet. A pre-commercial silver/alumina catalyst demonstrated high NO chi conversions over a moderate temperature window with both neat ethanol and ethanol/gasoline blends containing at least 50% ethanol. Selectivity to NH3 increases with HC dosing and ethanol content in gasoline blends, but appears to "saturate" at around 45%. NO2 and acetaldehyde behave like intermediates in the ethanol SCR of NO. NH3 SCR of NO chi does not appear to play a major role in the ethanol SCR reaction mechanism. Ethanol is responsible for the low temperature SCR activity observed with the ethanol/gasoline blends. The gasoline HCs do not deactivate the ethanol SCR activity, but they also do not appear to be significantly activated by the presence of ethanol. (c) 2014 Elsevier B.V. All rights reserved. C1 [Pihl, Josh A.; Toops, Todd J.; West, Brian H.] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Knoxville, TN 37932 USA. [Fisher, Galen B.] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA. RP Pihl, JA (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM pihlja@ornl.gov; toopstj@ornl.gov; gbfisher@umich.edu; westbh@ornl.gov FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office; UT-Battelle, LLC with the U.S. Department of Energy [DE-ACO5000R22725] FX This research was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. The authors thank program manager Kevin Stork for his support. The authors also thank Catalytic Solutions for the prototype catalyst and Prof. Hanna Harelind and Fredrik Gunnarsson for sharing their insights on this work. This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-ACO5000R22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 28 TC 6 Z9 7 U1 3 U2 79 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 46 EP 55 DI 10.1016/j.cattod.2013.12042 PG 10 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900006 ER PT J AU Kim, MY Choi, JS Crocker, M AF Kim, Mi-Young Choi, Jae-Soon Crocker, Mark TI Roles of C3H6 in NH3 generation and NO reduction over a Cu-chabazite SCR catalyst under lean/rich cycling conditions SO CATALYSIS TODAY LA English DT Article DE Coupled LNT-SCR; NO storage and reduction; Lean NOx trap; Selective catalytic reduction ID LEAN-RICH ATMOSPHERE; TRAP CATALYSTS; MECHANISTIC ASPECTS; DIESEL EMISSIONS; ZEOLITE CATALYST; STORAGE; H-2; LNT; AMMONIA; SYSTEMS AB We studied the spatiotemporal profiles of NO reduction with NH3, C3H6, or NH3 + C3H6 over a commercial Cu-chabazite SCR catalyst (washcoated honeycomb monolith) to better understand the effects of C3H6 on NO reduction under fast lean/rich cycling conditions relevant to coupled LNT-SCR catalysts. NO reduction by NH3 was very effective with total NH3 consumption within the first quarter of the catalyst at all temperatures. By contrast, NO reduction by C3H6 was more gradual along the catalyst length and sensitive to temperature with maximum performance obtained at 300-400 C. Temperatureprogrammed desorption performed after cycling experiments with C3H6 evidenced the presence of NH3 and/or NH3-precursor intermediates on the surface. These surface species were formed as a result of reactions between NO and C3H6 during the rich as well as lean phases, but started to be used for NO reduction only when all the stored hydrocarbons were depleted. When fed together, the contributions of C3H6 and NH3 to the cycle-averaged NO conversion were essentially additive. However, temporally resolving N-2 formation using isotopically-labeled NO and a mass spectrometer revealed that C3H6 actually inhibited reactions between NO and feed NH3 until well into the subsequent lean phase, i.e., until the stored hydrocarbons were depleted. This study highlights the importance of controlling lean/rich cycling time partitioning to alleviate the impact of the inhibiting effect of C3H6 on NH3 chemistry and achieve the maximum NO reduction possible over the SCR catalyst in coupled LNT-SCR systems. (C) 2013 Elsevier B.V. All rights reserved. C1 [Kim, Mi-Young; Choi, Jae-Soon] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Knoxville, TN 37932 USA. [Crocker, Mark] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. RP Choi, JS (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM choijs@ornl.gov FU U.S. Department of Energy (DOE) [DE-EE0000205] FX This project was funded by the U.S. Department of Energy (DOE) under award No. (DE-EE0000205. The authors thank BASF for providing the catalyst used in this study, and Drs. William P. Partridge and Todd J. Toops at Oak Ridge National Laboratory for useful discussions. NR 40 TC 5 Z9 5 U1 4 U2 60 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 90 EP 98 DI 10.1016/j.cattod.2013.12.021 PG 9 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900011 ER PT J AU Bartova, S Koci, P Mracek, D Marek, M Pihl, JA Choi, JS Toops, TJ Partridge, WP AF Bartova, Sarka Koci, Petr Mracek, David Marek, Milos Pihl, Josh A. Choi, Jae-Soon Toops, Todd J. Partridge, William P. TI New insights on N2O formation pathways during lean/rich cycling of a commercial lean NOx trap catalyst SO CATALYSIS TODAY LA English DT Article DE Lean NO trap; NOx storage catalyst; NOx reduction; N2O formation; Isocyanates; Exhaust gas aftertreatment ID STORAGE REDUCTION; NH3 FORMATION; FT-IR; MODEL; H2O; CO2; REGENERATION; DRIFTS AB Pathways for N2O formation during lean/rich cycling of a commercial LNT catalyst (containing Pt, Pd, Rh as well as Ba, CeZr, MgAl and Al oxides) were investigated based on bench-reactor experiments with spatiotemporally resolved gas measurements (SpaciMS) and in situ surface analysis (DRIFTS). The inlet gas temperature, composition of the rich gas mixture and regeneration length were varied in order to reveal the underlying mechanisms. Particular attention was given to low temperatures where the regeneration was kinetically limited and N2O was emitted in two peaks. The primary N2O peak appeared immediately after rich-phase inception when platinum-group-metal (PGM) sites over which NO reduction took place were only partially reduced, and tailed off with the breakthrough of the reductant front. The secondary N2O peak appeared at the rich-to-lean transition as a result of reactions between surface-deposited reductive species (NH3, CO and/or isocyanates) and residual stored NOx. Therefore, more thorough regeneration (longer rich phase, more efficient reductant, or higher temperature) led to a reduced secondary N2O peak. In contrast, CO either produced from reverse water gas shift or injected as a feed could poison PGM sites resulting in self-inhibition of the regeneration and a subsequent significant secondary N2O peak. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bartova, Sarka; Koci, Petr; Mracek, David; Marek, Milos] Inst Chem Technol, Dept Chem Engn, CR-16628 Prague, Czech Republic. [Pihl, Josh A.; Choi, Jae-Soon; Toops, Todd J.; Partridge, William P.] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Oak Ridge, TN 37831 USA. RP Koci, P (reprint author), Inst Chem Technol, Dept Chem Engn, CR-16628 Prague, Czech Republic. EM petr.koci@vscht.cz OI Choi, Jae-Soon/0000-0002-8162-4207 FU Czech Ministry of Education [LH 12086]; US Department of Energy Vehicle Technologies Program; [DE-ACO5-000R22725] FX The work was supported by Czech Ministry of Education (Project LH 12086) and US Department of Energy Vehicle Technologies Program (managers: Ken Howden and Gurpreet Singh). This manuscript has been co-authored by UT-Battelle, LLC, under Contract No. DE-ACO5-000R22725 with the U.S. Department of Energy. NR 29 TC 12 Z9 12 U1 2 U2 54 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 145 EP 154 DI 10.1016/j.cattod.2013.11.050 PG 10 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900017 ER PT J AU Luo, JY Gao, F Kim, DH Peden, CHF AF Luo, Jinyong Gao, Feng Kim, Do Heui Peden, Charles H. F. TI Effects of potassium loading and thermal aging on K/Pt/Al2O3 high-temperature lean NOx trap catalysts SO CATALYSIS TODAY LA English DT Article DE Potassium; NOx storage and reduction; NO oxidation; Thermal aging; Pt catalyst; Sintering ID STORAGE-REDUCTION CATALYSTS; DIESEL-EXHAUST POLLUTANTS; NSR CATALYSTS; SIMULTANEOUS REMOVAL; ADSORPTION; OXIDATION; SOOT; PERFORMANCE; PT-K/AL2O3; BAO/AL2O3 AB The effects of K loading and thermal aging on the structural properties and high temperature performance of Pt/K/Al2O3 lean NO, trap (LNT) catalysts were investigated using in situ X-ray diffraction (XRD), temperature-programmed decomposition/desorption of NO, (NOx,-TPD), transmission electron microscopy (TEM), NOx oxidation, and NO, storage tests. In situ XRD results demonstrate that KNO3 becomes extremely mobile on the Al2O3 surface, and experiences complex transformations between orthorhombic and rhombohedral structures, accompanied by sintering, melting and thermal decomposition upon heating. NOx storage results show an optimum K loading around 10% for the best performance at high temperatures. At lower K loadings where the majority of KNO3 stays as a surface layer, the strong interaction between KNO3 and Al2O3 promotes KNO3 decomposition and deteriorates high-temperature performance. At K loadings higher than 10%, the performance drop is not caused by NO diffusion limitations as for the case of barium-based LNTs, but rather from the blocking of Pt sites by K species, which adversely affects NO oxidation. Thermal aging at 800 degrees C severely deactivates the Pt/K/Al2O3 catalysts due to Pt sintering. However, in the presence of potassium, some Pt remains in a dispersed and oxidized form. These Pt species interact strongly with K and, therefore, do not sinter. After a reduction treatment, these Pt species remain finely dispersed, contributing to a partial recovery of NOx storage performance. (C) 2014 Elsevier B.V. All rights reserved. C1 [Luo, Jinyong; Gao, Feng; Peden, Charles H. F.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. [Kim, Do Heui] Seoul Natl Univ, Inst Chem Proc, Sch Chem & Biol Engn, Seoul 151742, South Korea. RP Peden, CHF (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999,MS K1-12, Richland, WA 99352 USA. EM chuck.peden@pnnl.gov RI Kim, Do Heui/I-3727-2015 FU U.S. Department of Energy (DOE); Seoul National University FX Financial support was provided by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. The authors gratefully acknowledge Dr. Weizhen Li for TEM and Dr. Tamas Varga for in situ XRD measurements. The research was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. DOE's Office of Biological and Environmental Research, and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for the U.S. Department of Energy by Battelle. Prof. Do Heui Kim acknowledges partial financial support from a start-up research fund provided by Seoul National University. NR 46 TC 8 Z9 8 U1 3 U2 57 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD AUG 1 PY 2014 VL 231 BP 164 EP 172 DI 10.1016/j.cattod.2013.12.020 PG 9 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AE2KE UT WOS:000333800900019 ER PT J AU Annapureddy, HVR Motkuri, RK Nguyen, PTM Truong, TB Thallapally, PK McGrail, BP Dang, LX AF Annapureddy, Harsha V. R. Motkuri, Radha K. Nguyen, Phuong T. M. Truong, Tai B. Thallapally, Praveen K. McGrail, B. Peter Dang, Liem X. TI Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases SO MOLECULAR SIMULATION LA English DT Article DE nanoparticles; potentials of mean force MD; GCMC; MD ID MOLECULAR-DYNAMICS SIMULATIONS; RANKINE-CYCLE ORC; SEPARATION APPLICATIONS; HYDROGEN STORAGE; WORKING FLUIDS; DIFFUSION; HEAT; CO2; TEMPERATURE; STABILITY AB In this review, we describe recent efforts to systematically study nano-structured metal organic frameworks (MOFs), also known as metal organic heat carriers, with particular emphasis on their application in heating and cooling processes. We used both molecular dynamics and grand canonical Monte Carlo simulation techniques to gain a molecular-level understanding of the adsorption mechanism of gases in these porous materials. We investigated the uptake of various gases such as refrigerants R12 and R143a. We also evaluated the effects of temperature and pressure on the uptake mechanism. Our computed results compared reasonably well with available measurements from experiments, thus validating our potential models and approaches. In addition, we investigated the structural, diffusive and adsorption properties of different hydrocarbons in Ni-2(dhtp). Finally, to elucidate the mechanism of nanoparticle dispersion in condensed phases, we studied the interactions among nanoparticles in various liquids, such as n-hexane, water and methanol. C1 [Annapureddy, Harsha V. R.; Motkuri, Radha K.; Nguyen, Phuong T. M.; Truong, Tai B.; Thallapally, Praveen K.; McGrail, B. Peter; Dang, Liem X.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, POB 999,MSIN K1-83, Richland, WA 99352 USA. EM liem.dang@pnnl.gov RI Motkuri, Radha/F-1041-2014; thallapally, praveen/I-5026-2014; Truong, Ba Tai/O-4320-2014; OI Nguyen, Phuong/0000-0002-7163-7370; Motkuri, Radha/0000-0002-2079-4798; thallapally, praveen/0000-0001-7814-4467; Truong, Ba Tai/0000-0001-8254-181X FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences and U.S. Department of Energy (DOE); Advanced Research Project Agency for Energy (ARPA-E) under the Building Energy Efficiency Through Innovative Thermodevices programme; DOE Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Office; DOE [DE-AC05-76RL01830] FX This work was performed at the Pacific Northwest National Laboratory (PNNL) and was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences and U.S. Department of Energy (DOE). Portions of this work were also supported by the Advanced Research Project Agency for Energy (ARPA-E) under the Building Energy Efficiency Through Innovative Thermodevices programme and by the DOE Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Office. PNNL is operated by Battelle for DOE under contract DE-AC05-76RL01830. NR 63 TC 4 Z9 4 U1 1 U2 128 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 EI 1029-0435 J9 MOL SIMULAT JI Mol. Simul. PD AUG 1 PY 2014 VL 40 IS 7-9 SI SI BP 571 EP 584 DI 10.1080/08927022.2013.829224 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 303PA UT WOS:000330685300005 ER PT J AU Teich-McGoldrick, SL Greathouse, JA Cygan, RT AF Teich-McGoldrick, Stephanie L. Greathouse, Jeffery A. Cygan, Randall T. TI Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite SO MOLECULAR SIMULATION LA English DT Article DE mica; uranium; surface charge; electrolyte ID 2ND-HARMONIC GENERATION; WATER-STRUCTURE; FORCE-FIELD; SPECIATION; U(VI); MONTMORILLONITE; SPECTROSCOPY; EQUILIBRIA; SORPTION; SYSTEMS AB Anthropogenic activities have led to an increased concentration of uranium on the Earth's surface and potentially in the subsurface with the development of nuclear waste repositories. Uranium is soluble in groundwater, and its mobility is strongly affected by the presence of clay minerals in soils and in subsurface sediments. We use molecular dynamics simulations to probe the adsorption of aqueous uranyl ions onto the basal surface of muscovite, a suitable proxy for typically ultrafine-grained clay phases. Model systems include the competitive adsorption between potassium counterions and aqueous ions (0.1M and 1.0M UO2Cl2, 0.1M NaCl). We find that for systems with the presence of potassium and uranyl ions, potassium ions dominate the adsorption phenomenon. Potassium ions adsorb entirely as inner sphere complexes associated with the ditrigonal cavity of the basal surface. Uranyl ions adsorb in two configurations when it is the only ion species present, and in a single configuration in the presence of potassium. The majority of adsorbed uranyl ions are tilted <45 degrees relative to the muscovite surface, and are associated with the Si4Al2 rings near the aluminium substitution sites. C1 [Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Cygan, Randall T.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. RP Greathouse, JA (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM jagreat@sandia.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Geosciences Research Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Franz Geiger and Sarah (Saslow) Gomez for helpful discussions and comments, and we appreciate the opportunity to examine their recent experimental data for uranyl-muscovite systems. This study was funded by the U.S. Department of Energy, Office of Basic Energy Sciences, Geosciences Research Program. Sandia National Laboratories is a multi-programme laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 38 TC 8 Z9 8 U1 4 U2 123 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 EI 1029-0435 J9 MOL SIMULAT JI Mol. Simul. PD AUG 1 PY 2014 VL 40 IS 7-9 SI SI BP 610 EP 617 DI 10.1080/08927022.2013.838675 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 303PA UT WOS:000330685300008 ER PT J AU Li, YW Wust, T Landau, DP AF Li, Y. W. Wuest, T. Landau, D. P. TI Wang-Landau sampling of the interplay between surface adsorption and folding of HP lattice proteins SO MOLECULAR SIMULATION LA English DT Article DE proteins on surfaces; adhesion; Monte Carlo simulations; protein folding; thermodynamics ID SOLID-SURFACES; BINDING-SPECIFICITY; GLOBULAR-PROTEINS; PHASE-TRANSITIONS; DRUG-DELIVERY; SIMULATIONS; PEPTIDE; MODEL; ALGORITHMS; POLYMERS AB Generic features associated with the adsorption of proteins on solid surfaces are reviewed within the framework of the hydrophobic-polar (HP) lattice protein model. The thermodynamic behaviour and structural properties of various HP protein sequences interacting with attractive surfaces have been studied using extensive Wang-Landau sampling with different types of surfaces, each of which attracts either: all monomers, only hydrophobic (H) monomers or only polar (P) monomers, respectively. Consequently, different types of folding behaviour occur for varied surface strengths. Analysis of the combined patterns of various structural observables, e.g. the derivatives of the number of interaction contacts, together with the specific heat, leads to the identification of fundamental categories of folding and transition hierarchies. We also inferred a connection between the transition categories and the relative surface strengths, i.e. the ratios of the surface attractive strengths to the intra-chain attraction among H monomers. Thus, we believe that the folding hierarchies and identification scheme are generic for different HP sequences interacting with attractive surfaces, regardless of the chain length, sequence or surface attraction. C1 [Li, Y. W.] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Wuest, T.] Swiss Fed Res Inst WSL, CH-8903 Birmensdorf, Switzerland. [Landau, D. P.] Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. RP Li, YW (reprint author), Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. EM yingwai.li@mailaps.org RI Wuest, Thomas/I-6192-2012 OI Wuest, Thomas/0000-0001-6901-9277 FU National Science Foundation [DMR-0810223]; Georgia Advanced Computing Resource Center; Office of Advanced Scientific Computing Research; U.S. Department of Energy; [De-AC05-00OR22725] FX We thank the anonymous referee for a very careful review and many constructive suggestions to the manuscript. This work was supported by the National Science Foundation under Grant No. DMR-0810223. This work was supported in part by resources from the Georgia Advanced Computing Resource Center, a partnership between the University of Georgia's Office of the Vice President for Research and Office of the Vice President for Information Technology. Y.W. Li was partly sponsored by the Office of Advanced Scientific Computing Research; U.S. Department of Energy. Part of the work was carried out at the Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under Contract No. De-AC05-00OR22725. NR 51 TC 1 Z9 1 U1 3 U2 40 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 EI 1029-0435 J9 MOL SIMULAT JI Mol. Simul. PD AUG 1 PY 2014 VL 40 IS 7-9 SI SI BP 640 EP 655 DI 10.1080/08927022.2013.847273 PG 16 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 303PA UT WOS:000330685300011 ER PT J AU Tilton, SC Karin, NJ Tolic, A Xie, Y Lai, X Hamilton, RF Waters, KM Holian, A Witzmann, FA Orr, G AF Tilton, Susan C. Karin, Norman J. Tolic, Ana Xie, Yumei Lai, Xianyin Hamilton, Raymond F., Jr. Waters, Katrina M. Holian, Andrij Witzmann, Frank A. Orr, Galya TI Three human cell types respond to multi-walled carbon nanotubes and titanium dioxide nanobelts with cell-specific transcriptomic and proteomic expression patterns SO NANOTOXICOLOGY LA English DT Article DE biological pathway; biological network; differential gene regulation; differential protein regulation; high aspect ratio nanomaterial ID IN-VITRO; ALVEOLAR MACROPHAGES; STATISTICAL-MODEL; DNA-DAMAGE; TOXICITY; NANOPARTICLES; SINGLE; NANOMATERIALS; COCULTURES; RATS AB The growing use of engineered nanoparticles (NPs) in commercial and medical applications raises the urgent need for tools that can predict NP toxicity. Global transcriptome and proteome analyses were conducted on three human cell types, exposed to two high aspect ratio NP types, to identify patterns of expression that might indicate high versus low NP toxicity. Three cell types representing the most common routes of human exposure to NPs, including macrophage-like (THP-1), small airway epithelial and intestinal (Caco-2/HT29-MTX) cells, were exposed to TiO2 nanobelts (TiO2-NB; high toxicity) and multi-walled carbon nanotubes (MWCNT; low toxicity) at low (10 mu g/mL) and high (100 mu g/mL) concentrations for 1 and 24 h. Unique patterns of gene and protein expressions were identified for each cell type, with no differentially expressed (p < 0.05, 1.5-fold change) genes or proteins overlapping across all three cell types. While unique to each cell type, the early response was primarily independent of NP type, showing similar expression patterns in response to both TiO2-NB and MWCNT. The early response might, therefore, indicate a general response to insult. In contrast, the 24 h response was unique to each NP type. The most significantly (p < 0.05) enriched biological processes in THP-1 cells indicated TiO2-NB regulation of pathways associated with inflammation, apoptosis, cell cycle arrest, DNA replication stress and genomic instability, while MWCNT-regulated pathways indicated increased cell proliferation, DNA repair and anti-apoptosis. These two distinct sets of biological pathways might, therefore, underlie cellular responses to high and low NP toxicity, respectively. C1 [Tilton, Susan C.; Karin, Norman J.; Tolic, Ana; Xie, Yumei; Waters, Katrina M.; Orr, Galya] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Tilton, Susan C.; Karin, Norman J.; Tolic, Ana; Xie, Yumei; Waters, Katrina M.; Orr, Galya] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Lai, Xianyin; Witzmann, Frank A.] Indiana Univ Sch Med, Dept Cellular & Integrat Physiol, Indianapolis, IN 46202 USA. [Hamilton, Raymond F., Jr.; Holian, Andrij] Univ Montana, Ctr Environm Hlth Sci, Dept Biomed & Pharmaceut Sci, Missoula, MT 59812 USA. RP Orr, G (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999 MS K8-88, Richland, WA 99352 USA. EM galya.orr@pnnl.gov FU Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory; National Institute of Environmental Health Sciences [RC2ES018025-01S1, RC2ES018742-01S1, 1RC2ES018786-01-S1] FX The authors thank Dr Srikanth S. Nadadur at the National Institute of Environmental Health Sciences (NIEHS) who conceived the ideas for this study and provided critical guidance, insight and support. They thank Dr Somenath Mitra at New Jersey Institute of Technology for providing the MWCNT and Dr Nianqiang Wu at West Virginia University for providing the TiO2-NB, as part of the NIEHS Nanotechnology Environmental Health and Safety consortium effort. Part of this research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. This work was supported by the National Institute of Environmental Health Sciences [RC2ES018025-01S1 to F. A. W.], [RC2ES018742-01S1 to A. H.] and [1RC2ES018786-01-S1 to G.O.]. NR 48 TC 19 Z9 20 U1 1 U2 221 PU INFORMA HEALTHCARE PI NEW YORK PA 52 VANDERBILT AVE, NEW YORK, NY 10017 USA SN 1743-5390 EI 1743-5404 J9 NANOTOXICOLOGY JI Nanotoxicology PD AUG PY 2014 VL 8 IS 5 BP 533 EP 548 DI 10.3109/17435390.2013.803624 PG 16 WC Nanoscience & Nanotechnology; Toxicology SC Science & Technology - Other Topics; Toxicology GA 267VR UT WOS:000328126900006 PM 23659652 ER PT J AU Gao, F Bonsignori, M Liao, HX Kumar, A Xia, SM Lu, XZ Cai, FP Hwang, KK Song, HS Zhou, TQ Lynch, RM Alam, SM Moody, MA Ferrari, G Berrong, M Kelsoe, G Shaw, GM Hahn, BH Montefiori, DC Kamanga, G Cohen, MS Hraber, P Kwong, PD Korber, BT Mascola, JR Kepler, TB Haynes, BF AF Gao, Feng Bonsignori, Mattia Liao, Hua-Xin Kumar, Amit Xia, Shi-Mao Lu, Xiaozhi Cai, Fangping Hwang, Kwan-Ki Song, Hongshuo Zhou, Tongqing Lynch, Rebecca M. Alam, S. Munir Moody, M. Anthony Ferrari, Guido Berrong, Mark Kelsoe, Garnett Shaw, George M. Hahn, Beatrice H. Montefiori, David C. Kamanga, Gift Cohen, Myron S. Hraber, Peter Kwong, Peter D. Korber, Bette T. Mascola, John R. Kepler, Thomas B. Haynes, Barton F. TI Cooperation of B Cell Lineages in Induction of HIV-1-Broadly Neutralizing Antibodies SO CELL LA English DT Article ID CD4 BINDING-SITE; HIV-1-INFECTED INDIVIDUALS; CONFORMATIONAL EPITOPE; MONOCLONAL-ANTIBODIES; BROAD NEUTRALIZATION; IMMUNE-RESPONSES; GERMINAL-CENTERS; HIV-1 INFECTION; AFFINITY; MUTATIONS AB Development of strategies for induction of HIV-1 broadly neutralizing antibodies (bnAbs) by vaccines is a priority. Determining the steps of bnAb induction in HIV-1-infected individuals who make bnAbs is a key strategy for immunogen design. Here, we study the B cell response in a bnAb-producing individual and report cooperation between two B cell lineages to drive bnAb development. We isolated a virus-neutralizing antibody lineage that targeted an envelope region (loop D) and selected virus escape mutants that resulted in both enhanced bnAb lineage envelope binding and escape mutant neutralization-traits associated with increased B cell antigen drive. Thus, in this individual, two B cell lineages cooperated to induce the development of bnAbs. Design of vaccine immunogens that simultaneously drive both helper and broadly neutralizing B cell lineages may be important for vaccine-induced recapitulation of events that transpire during the maturation of neutralizing antibodies in HIV-1-infected individuals. C1 [Gao, Feng; Bonsignori, Mattia; Liao, Hua-Xin; Kumar, Amit; Xia, Shi-Mao; Lu, Xiaozhi; Cai, Fangping; Hwang, Kwan-Ki; Song, Hongshuo; Alam, S. Munir; Moody, M. Anthony; Ferrari, Guido; Berrong, Mark; Kelsoe, Garnett; Montefiori, David C.; Haynes, Barton F.] Duke Univ, Sch Med, Human Vaccine Inst, Dept Med, Durham, NC 27710 USA. [Gao, Feng; Bonsignori, Mattia; Liao, Hua-Xin; Kumar, Amit; Xia, Shi-Mao; Lu, Xiaozhi; Cai, Fangping; Hwang, Kwan-Ki; Song, Hongshuo; Alam, S. Munir; Moody, M. Anthony; Ferrari, Guido; Berrong, Mark; Kelsoe, Garnett; Montefiori, David C.; Haynes, Barton F.] Duke Univ, Sch Med, Human Vaccine Inst, Dept Surg, Durham, NC 27710 USA. [Gao, Feng; Bonsignori, Mattia; Liao, Hua-Xin; Kumar, Amit; Xia, Shi-Mao; Lu, Xiaozhi; Cai, Fangping; Hwang, Kwan-Ki; Song, Hongshuo; Alam, S. Munir; Moody, M. Anthony; Ferrari, Guido; Berrong, Mark; Kelsoe, Garnett; Montefiori, David C.; Haynes, Barton F.] Duke Univ, Sch Med, Human Vaccine Inst, Dept Pediat & Immunol, Durham, NC 27710 USA. [Gao, Feng; Bonsignori, Mattia; Liao, Hua-Xin; Kumar, Amit; Xia, Shi-Mao; Lu, Xiaozhi; Cai, Fangping; Hwang, Kwan-Ki; Song, Hongshuo; Alam, S. Munir; Moody, M. Anthony; Ferrari, Guido; Berrong, Mark; Kelsoe, Garnett; Montefiori, David C.; Haynes, Barton F.] Duke Univ, Ctr HIV AIDS Vaccine Immunol Immunogen Discovery, Durham, NC 27710 USA. [Zhou, Tongqing; Lynch, Rebecca M.; Kwong, Peter D.; Mascola, John R.] NIAID, Vaccine Res Ctr, NIH, Bethesda, MD 20892 USA. [Shaw, George M.; Hahn, Beatrice H.] Univ Penn, Perelman Sch Med, Dept Med, Philadelphia, PA 19104 USA. [Shaw, George M.; Hahn, Beatrice H.] Univ Penn, Perelman Sch Med, Dept Microbiol, Philadelphia, PA 19104 USA. [Kamanga, Gift] UNC Project, Lilongwe, Malawi. [Kamanga, Gift] Univ N Carolina, Dept Hlth Policy, Chapel Hill, NC 27599 USA. [Kamanga, Gift] Univ N Carolina, Dept Management, Chapel Hill, NC 27599 USA. [Cohen, Myron S.] Univ N Carolina, Dept Med, Chapel Hill, NC 27599 USA. [Cohen, Myron S.] Univ N Carolina, Dept Epidemiol, Chapel Hill, NC 27599 USA. [Cohen, Myron S.] Univ N Carolina, Dept Microbiol & Immunol, Chapel Hill, NC 27599 USA. [Hraber, Peter; Korber, Bette T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [Kepler, Thomas B.] Boston Univ, Dept Microbiol, Boston, MA 02215 USA. RP Gao, F (reprint author), Duke Univ, Sch Med, Human Vaccine Inst, Dept Med, Durham, NC 27710 USA. EM fgao@duke.edu; barton.haynes@duke.edu RI Zhou, Tongqing/A-6880-2010; Ferrari, Guido/A-6088-2015; OI Zhou, Tongqing/0000-0002-3935-4637; Korber, Bette/0000-0002-2026-5757; Hraber, Peter/0000-0002-2920-4897 FU Center For HIV/AIDS Vaccine Immunology-Immunogen Discovery grant (CHAVI-ID) [UM1 AI100645]; Duke University Center for AIDS Research (CFAR) [P30-AI-64518]; intramural research program of the Vaccine Research Center, National Institute of Allergy and Infectious Diseases, NIH FX This study was supported by the Center For HIV/AIDS Vaccine Immunology-Immunogen Discovery grant (CHAVI-ID; UM1 AI100645), the Duke University Center for AIDS Research (CFAR; P30-AI-64518), and the intramural research program of the Vaccine Research Center, National Institute of Allergy and Infectious Diseases, NIH. We thank Mark Hallen and Jiang Zhu for assistance and discussion on calculation of binding affinity and Daniel M Kozink, Abby Cooper, and Florence Perrin for technical assistance. Provisional patents have been filed by B. F. H., H.-X. L., R. M. L., T.Z., F. G., G. M. S., B. H. H., T. B. K., B. T. K., P. D. K., J.R.M., and P. H. M. S. C. served at Advisory Board of Roche Molecular Systems, Expert Advisory Panel of Gates Foundation, and Pipeline Advisory Board of Janssen Global Services. NR 51 TC 78 Z9 81 U1 2 U2 31 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 EI 1097-4172 J9 CELL JI Cell PD JUL 31 PY 2014 VL 158 IS 3 BP 481 EP 491 DI 10.1016/j.cell.2014.06.022 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA AN9RB UT WOS:000340944300004 PM 25065977 ER PT J AU Cao, RX Liu, Z Miao, BF Sun, L Wu, D You, B Li, SC Zhang, W Hu, A Bader, SD Ding, HF AF Cao, R. X. Liu, Z. Miao, B. F. Sun, L. Wu, D. You, B. Li, S. C. Zhang, W. Hu, A. Bader, S. D. Ding, H. F. TI Self-regulated Gd atom trapping in open Fe nanocorrals SO PHYSICAL REVIEW B LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; METAL CHAINS; GROWTH; NUCLEATION; CORRALS; SURFACE; ARRAYS; FILMS AB Utilizing open Fe nanocorrals built by atom manipulation, we demonstrate self-regulated Gd atom trapping in open quantum corrals. The number of Gd atoms trapped is exactly determined by the diameter of the corral. The quantization can be understood as a self-regulating process, arising from the long-range interaction between Gd atoms and the open corral. We illustrate with arrays of open corrals that such atom trapping can suppress unwanted statistical fluctuations. Our approach opens a potential pathway for nanomaterial design and fabrication with atomic-level precision. C1 [Cao, R. X.; Liu, Z.; Miao, B. F.; Sun, L.; Wu, D.; You, B.; Li, S. C.; Zhang, W.; Hu, A.; Ding, H. F.] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Cao, R. X.; Liu, Z.; Miao, B. F.; Sun, L.; Wu, D.; You, B.; Li, S. C.; Zhang, W.; Hu, A.; Ding, H. F.] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China. [Bader, S. D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Ding, HF (reprint author), Nanjing Univ, Natl Lab Solid State Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China. EM hfding@nju.edu.cn RI Ding, haifeng/B-4221-2010; Miao, Bingfeng/A-3943-2013; OI Ding, haifeng/0000-0001-7524-0779; Miao, Bingfeng/0000-0002-3089-0695; Wu, Di/0000-0003-2073-1022 FU State Key Program for Basic Research of China [2010CB923401, 2014CB921103]; National Natural Science Foundation of China [11374145, 11304150, 11023002]; US Department of Energy, Office of Science, Basic Energy Sciences FX Work at Nanjing is supported by the State Key Program for Basic Research of China (Grants No. 2010CB923401, No. 2014CB921103) and National Natural Science Foundation of China (Grants No. 11374145, No. 11304150, and No. 11023002). Work at Argonne is supported by the US Department of Energy, Office of Science, Basic Energy Sciences. NR 34 TC 2 Z9 3 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 31 PY 2014 VL 90 IS 4 AR 045433 DI 10.1103/PhysRevB.90.045433 PG 6 WC Physics, Condensed Matter SC Physics GA AO3MT UT WOS:000341235500012 ER PT J AU Matveev, KA Andreev, AV Klironomos, AD AF Matveev, K. A. Andreev, A. V. Klironomos, A. D. TI Scattering of charge and spin excitations and equilibration of a one-dimensional Wigner crystal SO PHYSICAL REVIEW B LA English DT Article ID LUTTINGER LIQUID; METALS; MODEL; WAVE AB We study scattering of charge and spin excitations in a system of interacting electrons in one dimension. At low densities, electrons form a one-dimensional Wigner crystal. To a first approximation, the charge excitations are the phonons in the Wigner crystal, and the spin excitations are described by the Heisenberg model with nearest-neighbor exchange coupling. This model is integrable and thus incapable of describing some important phenomena, such as scattering of excitations off each other and the resulting equilibration of the system. We obtain the leading corrections to this model, including charge-spin coupling and the next-nearest-neighbor exchange in the spin subsystem. We apply the results to the problem of equilibration of the one-dimensional Wigner crystal and find that the leading contribution to the equilibration rate arises from scattering of spin excitations off each other. We discuss the implications of our results for the conductance of quantum wires at low electron densities. C1 [Matveev, K. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Andreev, A. V.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Klironomos, A. D.] Amer Phys Soc, New York, NY 11961 USA. RP Matveev, KA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Klironomos, Alexios/B-4153-2008 OI Klironomos, Alexios/0000-0002-3577-1740 FU U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-FG02-07ER46452] FX The authors are grateful to L. I. Glazman and B. I. Halperin for stimulating discussions. Work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. Work at the University of Washington was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-FG02-07ER46452. NR 35 TC 2 Z9 2 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 31 PY 2014 VL 90 IS 3 AR 035148 DI 10.1103/PhysRevB.90.035148 PG 15 WC Physics, Condensed Matter SC Physics GA AO3MR UT WOS:000341235000001 ER PT J AU Voas, BK Usher, TM Liu, XM Li, S Jones, JL Tan, XL Cooper, VR Beckman, SP AF Voas, Brian K. Usher, Tedi-Marie Liu, Xiaoming Li, Shen Jones, Jacob L. Tan, Xiaoli Cooper, Valentino R. Beckman, Scott P. TI Special quasirandom structures to study the (K0.5Na0.5)NbO3 random alloy SO PHYSICAL REVIEW B LA English DT Article ID VIRTUAL-CRYSTAL APPROXIMATION; FERROELECTRIC PEROVSKITES; SOLID-SOLUTION; PIEZOELECTRIC PROPERTIES; ELASTIC PROPERTIES; POTASSIUM NIOBATE; PHASE-TRANSITIONS; 1ST-PRINCIPLES; CONSTANTS; BOUNDARY AB The local structure of K0.5Na0.5NbO3 is investigated using first-principles methods with an optimized special quasirandom structure (SQS). Through a comparison of the computed pair distribution functions with those from neutron powder diffraction data, the SQS approach demonstrates its ability to accurately capture the local structure patterns derived from the random distribution of K and Na on the perovskite A-site. Using these structures, local variations in Na-O interactions are suggested to be the driving force behind the R3c to Pm phase transition. A comparison between the SQS and a rocksalt structure shows the inability of the latter to account for the local variability present in a random solid solution. As such, the predictive nature of the SQS demonstrated here suggests that this approach may provide insight in understanding the properties of a wide range of bulk oxide alloys or solid solutions. C1 [Voas, Brian K.; Liu, Xiaoming; Li, Shen; Tan, Xiaoli; Beckman, Scott P.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Usher, Tedi-Marie; Jones, Jacob L.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Usher, Tedi-Marie; Jones, Jacob L.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Cooper, Valentino R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Voas, BK (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM coopervr@ornl.gov; sbeckman@iastate.edu RI Tan, Xiaoli/C-3376-2013; Cooper, Valentino /A-2070-2012; Usher, Tedi-Marie/G-5226-2016 OI Liu, Xiaoming/0000-0002-7146-5708; Tan, Xiaoli/0000-0002-4182-663X; Cooper, Valentino /0000-0001-6714-4410; Usher, Tedi-Marie/0000-0001-8265-5972 FU Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy; Office of Science Early Career Research Program; US National Science Foundation [DMR-1037898]; Office of Science, US Department of Energy [DE-AC02-05CH11231]; US Department of the Army [W911NF-09-1-0435]; DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396] FX B.K.V. acknowledges summer support through the HERE program at ORNL. V.R.C. was supported by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy, and the Office of Science Early Career Research Program. S.P.B., X.T., X.L., and B.K.V. are supported, in part, by the US National Science Foundation under Grant No. DMR-1037898. This research used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, US Department of Energy under Contract No. DE-AC02-05CH11231. J.L.J. and T.M.U. were supported by the US Department of the Army under Contract No. W911NF-09-1-0435. This work has benefited from the use of NPDF at the Lujan Center at Los Alamos Neutron Science Center, funded by DOE Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract No. DE-AC52-06NA25396. NR 41 TC 5 Z9 5 U1 7 U2 60 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 31 PY 2014 VL 90 IS 2 AR 024105 DI 10.1103/PhysRevB.90.024105 PG 6 WC Physics, Condensed Matter SC Physics GA AO3MM UT WOS:000341234400002 ER PT J AU Annapureddy, HVR Dang, LX AF Annapureddy, Harsha V. R. Dang, Liem X. TI Understanding the Rates and Molecular Mechanism of Water-Exchange around Aqueous Ions Using Molecular Simulations SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID GRADIENT DIFFUSION MEASUREMENTS; 1ST TRANSITION SERIES; METAL HEXAAQUA IONS; DYNAMICS SIMULATION; ALKALI-METAL; HYDRATION SHELL; MD SIMULATIONS; TRANSMISSION COEFFICIENTS; PAIR DISSOCIATION; ACTIVATION VOLUME AB Solvation processes occurring around aqueous ions are of fundamental importance in physics, chemistry, and biology. Over the past few decades, several experimental and theoretical studies were devoted to understanding ion solvation and the processes involved in it. In this article, we present a summary of our recent efforts that, through computer simulations, focused on providing a comprehensive understanding of solvent-exchange processes around aqueous ions. To accomplish these activities, we have looked at the mechanistic properties associated with the water-exchange process, such as potentials of mean force, time-dependent transmission coefficients, and the corresponding rate constants using transition state theory, the reactive flux method, and Grote-Hynes treatments of the dynamic response of the solvent. C1 [Annapureddy, Harsha V. R.; Dang, Liem X.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM liem.dang@pnnl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the U.S. Department of Energy (DOE) FX The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the U.S. Department of Energy (DOE) funded this work. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES. NR 85 TC 6 Z9 6 U1 7 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 31 PY 2014 VL 118 IS 30 BP 8917 EP 8927 DI 10.1021/jp502922c PG 11 WC Chemistry, Physical SC Chemistry GA AM5VX UT WOS:000339930200001 PM 24911526 ER PT J AU Dong, H Fleming, GR AF Dong, Hui Fleming, Graham R. TI Inhomogeneous Broadening Induced Long-Lived Integrated Two-Color Coherence Photon Echo Signal SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PHOTOSYNTHETIC REACTION-CENTER; LIGHT-HARVESTING COMPLEXES; QUANTUM COHERENCE; ELECTRONIC COHERENCE; ENERGY-TRANSFER; VIBRATIONAL COHERENCES; EXCITON DYNAMICS; SPECTROSCOPY; SYSTEM; TEMPERATURE AB Recent observations of the long-lasting nonlinear signals in a variety of light-harvesting complexes have initiated an active debate on the origin of long-lived coherence in the biological systems. In this work we show that disorder of site energy can induce a long-lived electronic coherence between two chromophores in a strongly coupled dimer system, in addition to the ensemble dephasing effect. This phenomenon is physically explained as the correlated fluctuation of excitons with the equal delocalization on two sites, when the site-energy distributions overlap to give resonance. Using the integrated two-color coherence photon echo signal as an example, we show that the coherence in such a system exhibits a biexponential decay with a slow component with a lifetime of hundreds of femtoseconds and a rapid component with a lifetime of tens of femtoseconds. The current result provides a possible microscopic basis for the electronic coherence to be the origin of the long-lived coherence signals to be considered along with other recently proposed mechanisms. C1 [Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov FU Office of Science, Office of Basic Energy Sciences, of the USA Department of Energy [DE-AC02-05CH11231]; Division of Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences at LBNL [DE-AC03-76SF000098]; Division of Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences at UC Berkeley [DE-AC03-76SF000098]; NSF [NSF CHE-1012168] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the USA Department of Energy, under Contract No. DE-AC02-05CH11231, the Division of Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences, through Grant DE-AC03-76SF000098 (at LBNL and UC Berkeley), and NSF under Contract No. NSF CHE-1012168. NR 38 TC 3 Z9 3 U1 4 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 31 PY 2014 VL 118 IS 30 BP 8956 EP 8961 DI 10.1021/jp503045z PG 6 WC Chemistry, Physical SC Chemistry GA AM5VX UT WOS:000339930200005 PM 25014005 ER PT J AU McDaniel, H Koposov, AY Draguta, S Makarov, NS Pietryga, JM Klimov, VI AF McDaniel, Hunter Koposov, Alexey Y. Draguta, Sergiu Makarov, Nikolay S. Pietryga, Jeffrey M. Klimov, Victor I. TI Simple yet Versatile Synthesis of CuInSexS2-x Quantum Dots for Sunlight Harvesting SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SENSITIZED SOLAR-CELLS; SEMICONDUCTOR NANOCRYSTALS; CARRIER MULTIPLICATION; ELECTRON-TRANSFER; LOW-VOLTAGE; FILMS; SOLIDS; PBSE; PHOTOVOLTAICS; TRANSISTORS AB Common approaches to synthesizing alloyed CuInSexS2-x quantum dots (QDs) employ high-cost, airsensitive phosphine complexes as the selenium precursor. Such methods typically offer low chemical yields and only moderate emission efficiencies, particularly for selenium-rich compositions. Here we demonstrate that such hazardous and airsensitive selenium precursors can be completely avoided by utilizing a combination of thiols and amines that is very effective at reducing and then complexing with elemental selenium to form a highly reactive selenium precursor at room temperature. The optical properties of the CuInSexS2-x QDs synthesized by this new approach can be finely tuned for optimal sunlight harvesting through control of QD size and composition. In order to demonstrate the importance of such material tunability, we incorporate QDs into liquid-junction Gratzel solar cells and study correlations between varied QD size and composition and the resulting device performance. We also investigate charge transport in films of CuInSexS2-x QDs by incorporating them into bottom-gate field effect transistors. Such films exhibit measurable p-type conductance even without exchange of the long native surface ligands, and the film's conductance can be improved by more than 3 orders of magnitude by replacing native ligands with shorter ethanedithiol molecules. The results of this study indicate the significant promise of CuInSexS2-x QDs synthesized by this method for applications in photovoltaics utilizing both sensitized and p-n junction architectures. C1 [McDaniel, Hunter; Draguta, Sergiu; Makarov, Nikolay S.; Pietryga, Jeffrey M.; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, Div Chem, Los Alamos, NM 87545 USA. [Koposov, Alexey Y.] Sharp Labs Amer, Mat & Devices Lab, Camas, WA 98607 USA. RP McDaniel, H (reprint author), Los Alamos Natl Lab, Ctr Adv Solar Photophys, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM hunter@lanl.gov; klimov@lanl.gov RI Koposov, Alexey/R-9423-2016; OI Koposov, Alexey/0000-0001-5898-3204; Klimov, Victor/0000-0003-1158-3179 FU Center for Advanced Solar Photophysics, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences; LANL Director's Fellowship FX This work was supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. N.S.M. is a CASP member supported by a LANL Director's Fellowship. NR 42 TC 19 Z9 19 U1 3 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 31 PY 2014 VL 118 IS 30 SI SI BP 16987 EP 16994 DI 10.1021/jp5004903 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM5WE UT WOS:000339930900083 ER PT J AU Miller, MS Schmidt-Kittler, O Bolduc, DM Brower, ET Chaves-Moreira, D Allaire, M Kinzler, KW Jennings, IG Thompson, PE Cole, PA Amzel, LM Vogelstein, B Gabelli, SB AF Miller, Michelle S. Schmidt-Kittler, Oleg Bolduc, David M. Brower, Evan T. Chaves-Moreira, Daniele Allaire, Marc Kinzler, Kenneth W. Jennings, Ian G. Thompson, Philip E. Cole, Philip A. Amzel, L. Mario Vogelstein, Bert Gabelli, Sandra B. TI Structural basis of nSH2 regulation and lipid binding in PI3K alpha SO ONCOTARGET LA English DT Article DE PIK3R1; p85; PIK3CA; PI3K; PIP2; PIP3 ID PHOSPHOINOSITIDE 3-KINASE; PIK3CA GENE; PROTEIN-KINASES; BREAST CANCERS; MUTATIONS; ACTIVATION; DOMAIN; MECHANISM; INHIBITOR; DISCOVERY AB We report two crystal structures of the wild-type phosphatidylinositol 3-kinase alpha (PI3K alpha) heterodimer refined to 2.9 angstrom and 3.4 angstrom resolution: the first as the free enzyme, the second in complex with the lipid substrate, diC4-PIP2, respectively. The first structure shows key interactions of the N-terminal SH2 domain (nSH2) and iSH2 with the activation loop that suggest a mechanism by which the enzyme is inhibited in its basal state. In the second structure, the lipid substrate binds in a positively charged pocket adjacent to the ATP-binding site, bordered by the P-loop, the activation loop and the iSH2 domain. An additional lipid-binding site was identified at the interface of the ABD, iSH2 and kinase domains. The ability of PI3K alpha to bind an additional PIP2 molecule was confirmed in vitro by fluorescence quenching experiments. The crystal structures reveal key differences in the way the nSH2 domain interacts with wild-type p110 alpha and with the oncogenic mutant p110 alpha H1047R. Increased buried surface area and two unique salt-bridges observed only in the wild-type structure suggest tighter inhibition in the wild-type PI3K alpha than in the oncogenic mutant. These differences may be partially responsible for the increased basal lipid kinase activity and increased membrane binding of the oncogenic mutant. C1 [Miller, Michelle S.; Jennings, Ian G.; Thompson, Philip E.] Monash Inst Pharmaceut Sci, Parkville, Vic, Australia. [Schmidt-Kittler, Oleg; Brower, Evan T.; Kinzler, Kenneth W.; Vogelstein, Bert] Johns Hopkins Univ, Sch Med, Ludwig Ctr Canc Genet & Therapeut, Baltimore, MD USA. [Schmidt-Kittler, Oleg; Brower, Evan T.; Kinzler, Kenneth W.; Vogelstein, Bert] Johns Hopkins Univ, Sch Med, Howard Hughes Med Inst, Baltimore, MD 21205 USA. [Bolduc, David M.; Cole, Philip A.] Johns Hopkins Univ, Sch Med, Dept Pharmacol & Mol Sci, Baltimore, MD 21205 USA. [Chaves-Moreira, Daniele; Amzel, L. Mario; Gabelli, Sandra B.] Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. [Gabelli, Sandra B.] Johns Hopkins Univ, Sch Med, Dept Med, Baltimore, MD 21205 USA. [Gabelli, Sandra B.] Johns Hopkins Univ, Sch Med, Dept Oncol, Baltimore, MD 21205 USA. [Allaire, Marc] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Gabelli, SB (reprint author), Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. EM gabelli@jhmi.edu RI Chaves-Moreira, daniele/L-5133-2015; Gabelli, Sandra/A-3705-2008; OI Gabelli, Sandra/0000-0003-1205-5204; Thompson, Philip/0000-0002-5910-7625 FU NIDDK center [P30 DK089502]; Virginia and D.K. Ludwig Fund for Cancer Research; NIH [CA 43460]; National Institute of General Medical Sciences, NIH [GM-0080]; US Department of Energy [DE AC02-98CH10886]; Australian Postgraduate Award (APA), a Cooperative Research Centre for Cancer Therapeutics top-up scholarship; Monash University Postgraduate Publications Award FX The authors would like to thank A.M. Silva for helpful discussions. We acknowledge the use of the Johns Hopkins University School of Medicine Mass Spectrometry and Proteomics Core, Hopkins Digestive Diseases Basic and Translational Research Core Center (NIDDK center grant P30 DK089502). Funding: This work was supported by the Virginia and D.K. Ludwig Fund for Cancer Research and NIH grant CA 43460. Data collection was carried out at beamline X6A/X25, funded by the National Institute of General Medical Sciences, NIH under agreement GM-0080. The NSLS, Brookhaven National Laboratory is supported by the US Department of Energy under contract no. DE AC02-98CH10886. S.B.G. is a Stewart Trust Fellow. M.S.M. is a recipient of an Australian Postgraduate Award (APA), a Cooperative Research Centre for Cancer Therapeutics top-up scholarship and a Monash University Postgraduate Publications Award. NR 41 TC 6 Z9 6 U1 1 U2 4 PU IMPACT JOURNALS LLC PI ALBANY PA 6211 TIPTON HOUSE, STE 6, ALBANY, NY 12203 USA SN 1949-2553 J9 ONCOTARGET JI Oncotarget PD JUL 30 PY 2014 VL 5 IS 14 BP 5198 EP 5208 PG 11 WC Oncology; Cell Biology SC Oncology; Cell Biology GA AZ0EN UT WOS:000347919200005 PM 25105564 ER PT J AU Aad, G Abajyan, T Abbott, B Abdallah, J Khalek, SA Abdinov, O Aben, R Abi, B Abolins, M AbouZeid, OS Abramowicz, H Abreu, H Abulaiti, Y Acharya, BS Adamczyk, L Adams, DL Addy, TN Adelman, J Adomeit, S Adye, T Aefsky, S Agatonovic-Jovin, T Aguilar-Saavedra, JA Agustoni, M Ahlen, P Ahmad, A Ahmadov, F Aielli, G Akesson, TPA Akimoto, G Akimov, AV Alam, MA Albert, J Albrand, S Verzini, MJA Aleksa, M Aleksandrov, IN Alessandria, F Alexa, C Alexander, G Alexandre, G Alexopoulos, T Alhroob, M Aliev, M Alimonti, G Alio, L Alison, J Allbrooke, BMM Allison, LJ Allport, PP Allwood-Spiers, SE Almond, J Aloisio, A Alon, R Alonso, A Alonso, F Altheimer, A Gonzalez, BA Alviggi, MG Amako, K Coutinho, YA Amelung, C Ammosov, VV Dos Santos, SPA Amorim, A Amoroso, S Amram, N Amundsen, G Anastopoulos, C Ancu, LS Andari, N Andeen, T Anders, CF Anders, G Anderson, KJ Andreazza, A Andrei, V Anduaga, XS Angelidakis, S Anger, P Angerami, A Anghinolfi, F Anisenkov, AV Anjos, N Annovi, A Antonaki, A Antonelli, M Antonov, A Antos, J Anulli, F Aoki, M Bella, LA Apolle, R Arabidze, G Aracena, I Arai, Y Arce, ATH Arfaoui, S Arguin, JF Argyropoulos, S Arik, E Arik, M Armbruster, AJ Arnaez, O Arnal, V Arslan, O Artamonov, A Artoni, G Asai, S Asbah, N Ask, S Asman, B Asquith, L Assamagan, K Astalos, R Astbury, A Atkinson, M Atlay, NB Auerbach, B Auge, E Augsten, K Aurousseau, M Avolio, G Azuelos, G Azuma, Y Baak, MA Bacci, C Bach, AM Bachacou, H Bachas, K Backes, M Backhaus, M Mayes, JB Badescu, E Bagiacchi, P Bagnaia, P Bai, Y Bailey, DC Bain, T Baines, JT Baker, OK Baker, S Balek, P Balli, F Banas, E Banerjee, S Banfi, D Bangert, A Bansal, V Bansil, HS Barak, L Baranov, SP Barber, T Barberio, EL Barberis, D Barbero, M Barillari, T Barisonzi, M Barklow, T Barlow, N Barnett, BM Barnett, RM Baroncelli, A Barone, G Barr, AJ Barreiro, F da Costa, JBG Bartoldus, R Barton, AE Bartos, P Bartsch, V Bassalat, A Basye, A Bates, RL Batkova, L Batley, JR Battistin, M Bauer, F Bawa, HS Beau, T Beauchemin, PH Beccherle, R Bechtle, P Beck, HP Becker, K Becker, S Beckingham, M Beddall, AJ Beddall, A Bedikian, S Bednyakov, VA Bee, CP Beemster, LJ Beermann, TA Begel, M Behr, K Belanger-Champagne, C Bell, PJ Bell, WH Bella, G Bellagamba, L Bellerive, A Bellomo, M Belloni, A Beloborodova, OL Belotskiy, K Beltramello, O Benary, O Benchekroun, D Bendtz, K Benekos, N Benhammou, Y Noccioli, EB Garcia, JAB Benjamin, DP Bensinger, JR Benslama, K Bentvelsen, S Berge, D Kuutmann, EB Berger, N Berghaus, F Berglund, E Beringer, J Bernard, C Bernat, P Bernhard, R Bernius, C Bernlochner, FU Berry, T Berta, P Bertella, C Bertolucci, F Besana, MI Besjes, GJ Bessidskaia, O Besson, N Bethke, S Bhimji, W Bianchi, RM Bianchini, L Bianco, M Biebel, O Bieniek, SP Bierwagen, K Biesiada, J Biglietti, M De Mendizabal, JB Bilokon, H Bindi, M Binet, S Bingul, A Bini, C Bittner, B Black, CW Black, JE Black, KM Blackburn, D Blair, RE Blanchard, JB Blazek, T Bloch, I Blocker, C Blum, W Blumenschein, U Bobbink, GJ Bobrovnikov, VS Bocchetta, SS Bocci, A Boddy, CR Boehler, M Boek, J Boek, TT Boelaert, N Bogaerts, JA Bogdanchikov, AG Bogouch, A Bohm, C Bohm, J Boisvert, V Bold, T Boldea, V Boldyrev, AS Bolnet, NM Bomben, M Bona, M Boonekamp, M Bordoni, S Borer, C Borisov, A Borissov, G Borri, M Borroni, S Bortfeldt, J Bortolotto, V Bos, K Boscherini, D Bosman, M Boterenbrood, H Bouchami, J Boudreau, J Bouhova-Thacker, EV Boumediene, D Bourdarios, C Bousson, N Boutouil, S Boveia, A Boyd, J Boyko, IR Bozovic-Jelisavcic, I Bracinik, J Branchini, P Brandt, A Brandt, G Brandt, O Bratzler, U Brau, B Brau, JE Braun, HM Brazzale, SF Brelier, B Brendlinger, K Brenner, R Bressler, S Bristow, TM Britton, D Brochu, FM Brock, I Brock, R Broggia, F Bromberg, C Bronner, J Brooijmans, G Brooks, T Brooks, WK Brosamer, J Brost, E Brown, G Brown, J de Renstrom, PAB Bruncko, D Bruneliere, R Brunet, S Bruni, A Bruni, G Bruschi, M Bryngemark, L Buanes, T Buat, Q Bucci, F Buchholz, P Buckingham, RM Buckley, AG Buda, SI Budagov, IA Budick, B Buehrer, F Bugge, L Bugge, MK Bulekov, O Bundock, AC Bunse, M Burckhart, H Burdin, S Burgess, T Burghgrave, B Burke, S Burmeister, I Busato, E Buscher, V Bussey, P Buszello, CP Butler, B Butler, JM Butt, AI Buttar, CM Butterworth, JM Buttinger, W Buzatu, A Byszewski, M Urban, SC Caforio, D Cakir, O Calafiura, P Calderini, G Calfayan, P Calkins, R Caloba, LP Caloi, R Calvet, D Calvet, S Toro, RC Camarri, P Cameron, D Caminada, LM Armadans, RC Campana, S Campanelli, M Canale, V Canelli, F Canepa, A Cantero, J Cantrill, R Cao, T Garrido, MDMC Caprini, I Caprini, M Capua, M Caputo, R Cardarelli, R Carli, T Carlino, G Carminati, L Caron, S Carquin, E Carrillo-Montoya, GD Carter, AA Carter, JR Carvalho, J Casadei, D Casado, MP Caso, C Castaneda-Miranda, E Castelli, A Gimenez, VC Castro, NF Catastini, P Catinaccio, A Catmore, JR Cattai, A Cattani, G Caughron, S Cavaliere, V Cavalli, D Cavalli-Sforza, M Cavasinni, V Ceradini, F Cerio, B Cerny, K Cerqueira, AS Cerri, A Cerrito, L Cerutti, F Cervelli, A Cetin, SA Chafaq, A Chakraborty, D Chalupkova, I Chan, K Chang, P Chapleau, B Chapman, JD Charfeddine, D Charlton, DG Chavda, V Barajas, CAC Cheatham, S Chekanov, S Chekulaev, SV Chelkov, GA Chelstowska, MA Chen, C Chen, H Chen, K Chen, L Chen, S Chen, X Chen, Y Cheng, Y Cheplakov, A El Moursli, RC Chernyatin, V Cheu, E Chevalier, L Chiarella, V Chiefari, G Childers, JT Chilingarov, A Chiodini, G Chisholm, AS Chislett, RT Chitan, A Chizhov, MV Chouridou, S Chow, BKB Christidi, IA Chromek-Burckhart, D Chu, ML Chudoba, J Ciapetti, G Ciftci, AK Ciftci, R Cinca, D Cindro, V Ciocio, A Cirilli, M Cirkovic, P Citron, ZH Citterio, M Ciubancan, M 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Dingfelder, J Dionisi, C Dita, P Dita, S Dittus, F Djama, F Djobava, T do Vale, MAB Wemans, ADV Doan, TKO Dobos, D Dobson, E Dodd, J Doglioni, C Doherty, T Dohmae, T Dolejsi, J Dolezal, Z Dolgoshein, BA Donadelli, M Donati, S Dondero, P Donini, J Dopke, J Doria, A Dos Anjos, A Dotti, A Dova, MT Doyle, AT Dris, M Dubbert, J Dube, S Dubreuil, E Duchovni, E Duckeck, G Ducu, OA Duda, D Dudarev, A Dudziak, F Duflot, L Duguid, L Duhrssen, M Dunford, M Yildiz, HD Duren, M Dwuznik, M Ebke, J Edson, W Edwards, CA Edwards, NC Ehrenfeld, W Eifert, T Eigen, G Einsweiler, K Eisenhandler, E Ekelof, T El Kacimi, M Ellert, M Elles, S Ellinghaus, F Ellis, K Ellis, N Elmsheuser, J Elsing, M Emeliyanov, D Enari, Y Endner, OC Endo, M Engelmann, R Erdmann, J Ereditato, A Eriksson, D Ernis, G Ernst, J Ernst, M Ernwein, J Errede, D Errede, S Ertel, E Escalier, M Esch, H Escobar, C Curull, XE Esposito, B Etienne, F Etienvre, AI Etzion, E Evangelakou, D Evans, H Fabbri, L Facini, G Fakhrutdinov, RM Falciano, S 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CA ATLAS Collaboration TI Measurement of chi(c1) and chi(c2) production with root s=7 TeV pp collisions at ATLAS SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Hadron-Hadron Scattering ID HEAVY QUARKONIUM; J-PSI; HADRONIC PRODUCTION; J/PSI PRODUCTION; PROMPT CHI(C); UPSILON; PHYSICS; RATIO AB The prompt and non-prompt production cross-sections for the chi(c1) and chi(c2) charmonium states are measured in pp collisions at root s = 7TeV with the ATLAS detector at the LHC using 4.5 fb(-1) of integrated luminosity. The chi(c) states are reconstructed through the radiative decay chi c -> J/psi gamma ( with J/psi -> mu(+)mu(-)) where photons are reconstructed from gamma -> e(+)e(-) conversions. The production rate of the chi(c2) state relative to the chi(c1) state is measured for prompt and non-prompt chi(c) as a function of J/psi transverse momentum. The prompt chi(c) cross-sections are combined with existing measurements of prompt J/psi production to derive the fraction of prompt J/psi produced in feed-down from chi(c) decays. The fractions of chi(c1) and chi(c2) produced in b-hadron decays are also measured. C1 [Jackson, P.; Soni, N.; White, M. J.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA, Australia. [Edson, W.; Ernst, J.; Guindon, S.; Jain, V.] SUNY Albany, Dept Phys, Albany, NY 12222 USA. [Butt, A. I.; Chan, K.; Gingrich, D. M.; Moore, R. W.; Pinfold, J. L.; Saddique, A.; Sbrizzi, A.; Subramania, Hs.; Vaque, F. Vives] Univ Alberta, Dept Phys, Edmonton, AB, Canada. [Cakir, O.; Ciftci, A. K.; Ciftci, R.; Yildiz, H. Duran; Kuday, S.] Ankara Univ, Dept Phys, TR-06100 Ankara, Turkey. [Yilmaz, M.] Gazi Univ, Dept Phys, Ankara, Turkey. [Sultansoy, S.] TOBB Univ Econ & Technol, Div Phys, Ankara, Turkey. [Cakir, I. Turk] Turkish Atom Energy Commiss, Ankara, Turkey. [Berger, N.; Colas, J.; Delmastro, M.; Di Ciaccio, L.; Doan, T. K. 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A.; Dietrich, J.; Ferrara, V.; Filipuzzi, M.; Friedrich, C.; Glazov, A.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Hiller, K. H.; Huettmann, A.; Belenguer, M. Jimenez; Katzy, J.; Kuhl, T.; Lange, C.; Lisovyi, M.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Cavalcanti, T. Perez; Peschke, R.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, P.; Viti, M.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Yildirim, E.] DESY, Zeuthen, Germany. [Bunse, M.; Burmeister, I.; Esch, H.; Goessling, C.; Jentzsch, J.; Jung, C. A.; Klingenberg, R.; Reisinger, I.; Wittig, T.] Tech Univ, Inst Expt Phys 4, Dortmund, Germany. [Anger, P.; Czodrowski, P.; Friedrich, F.; Grohs, J. P.; Gumpert, C.; Kobel, M.; Leonhardt, K.; Mader, W. F.; Morgenstern, M.; Prudent, X.; Rudolph, C.; Schnoor, U.; Socher, F.; Steinbach, P.; Straessner, A.; Vest, A.; Wahrmund, S.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Cerio, B.; Finelli, K. D.; Kajomovitz, E.; Kotwal, A.; Kruse, M. C.; Li, S.; Liu, M.; Oh, S. H.; Pollard, C. S.; Wang, C.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Bristow, T. M.; Clark, P. J.; Debenedetti, C.; Edwards, N. C.; Walls, F. M. Garay; Harrington, R. D.; Korn, A.; Martin, V. J.; O'Brien, B. J.; Pino, S. A. Olivares; Proissl, M.; Schaelicke, A.; Selbach, K. E.; Smart, B. H.; Washbrook, A.; Wynne, B. M.] Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh, Midlothian, Scotland. [Annovi, A.; Antonelli, M.; Bilokon, H.; Chiarella, V.; Curatolo, M.; Di Nardo, R.; Esposito, B.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Aad, G.; Amoroso, S.; Barber, T.; Bernhard, R.; Boehler, M.; Bruneliere, R.; Buehrer, F.; Consorti, V.; Di Simone, A.; Fehling-Kaschek, M.; Flechl, M.; Giuliani, C.; Herten, G.; Jakobs, K.; Jenni, P.; Koeneke, K.; Kopp, A. K.; Kuehn, S.; Lai, S.; Landgraf, U.; Lohwasser, K.; Ludwig, I.; Madar, R.; Mahboubi, K.; Mohr, W.; Parzefall, U.; Rammensee, M.; Rave, T. C.; Rurikova, Z.; Ruthmann, N.; Schillo, C.; Schmidt, E.; Schumacher, M.; Siegert, F.; Stoerig, K.; Sundermann, J. E.; Temming, K. K.; Thoma, S.; Tsiskaridze, V.; Ungaro, F. C.; Venturi, M.; von Radziewski, H.; Anh, T. Vu; Warsinsky, M.; Weiser, C.; Werner, M.; Winkelmann, S.; Zimmermann, S.] Univ Freiburg, Fak Math & Phys, D-79106 Freiburg, Germany. [Alexandre, G.; Barone, G.; Bell, P. J.; Bell, W. H.; Noccioli, E. Benhar; De Mendizabal, J. Bilbao; Bucci, F.; Toro, R. Camacho; Clark, A.; della Volpe, D.; Doglioni, C.; Ferrere, D.; Gadomski, S.; Gonzalez-Sevilla, S.; Goulette, M. P.; Gramling, J.; Guescini, F.; Iacobucci, G.; Katre, A.; La Rosa, A.; Latour, B. Martin dit; Mermod, P.; Herrera, C. Mora; Muenstermann, D.; Nektarijevic, S.; Nikolics, K.; Pasztor, G.; Picazio, A.; Pohl, M.; Rose, A.; Vallecorsa, S.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Beccherle, R.; Caso, C.; Darbo, G.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Gemme, C.; Guido, E.; Morettini, P.; Osculati, B.; Parodi, F.; Passaggio, S.; Rossi, L. P.; Schiavi, C.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Barberis, D.; Caso, C.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Guido, E.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Tskhadadze, E. G.] Iv Javakhishvili Tbilisi State Univ, E Andronikashvili Inst Phys, Tbilisi, Rep of Georgia. [Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.] Tbilisi State Univ, Inst High Energy Phys, Tbilisi, Rep of Georgia. [Dueren, M.; Kreutzfeldt, K.; Steinbach, P.; Stenzel, H.] Univ Giessen, Inst Phys 2, Giessen, Germany. [Allwood-Spiers, S. E.; Bates, R. L.; Britton, D.; Buckley, A. G.; Bussey, P.; Buttar, C. M.; Buzatu, A.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Ferrag, S.; Ferrando, J.; de Lima, D. E. Ferreira; Gemmell, A.; Gul, U.; Ortiz, N. G. Gutierrez; Kar, D.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Quilty, D.; Ravenscroft, T.; Robson, A.; Saxon, D. H.; Smith, K. M.; Denis, R. D. St.; Steele, G.; Thompson, A. S.; Wraight, K.; Wright, M.] Univ Glasgow, Sch Phys & Astron, SUPA, Glasgow, Lanark, Scotland. [Bierwagen, K.; Blumenschein, U.; Evangelakou, D.; George, M.; Graber, L.; Grosse-Knetter, J.; Hamer, M.; Hensel, C.; Kawamura, G.; Keil, M.; Knue, A.; Krieger, N.; Kroeninger, K.; Lemmer, B.; Magradze, E.; Meyer, J.; Morel, J.; Nackenhorst, O.; Nadal, J.; Pashapour, S.; Peters, R. F. Y.; Quadt, A.; Schorlemmer, A. L. S.; Serkin, L.; Shabalina, E.; Schroeder, T. Vazquez; Weingarten, J.; Zinonos, Z.] Univ Gottingen, Inst Phys 2, D-37073 Gottingen, Germany. [Albrand, S.; Brown, J.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Laisne, E.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Sun, X.; Trocme, B.] Univ Grenoble 1, Lab Phys Subatom & Cosmol, Grenoble, France. [Albrand, S.; Brown, J.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Laisne, E.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Sun, X.; Trocme, B.] CNRS, IN2P3, Grenoble, France. [Albrand, S.; Brown, J.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Laisne, E.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Sun, X.; Trocme, B.] Inst Natl Polytech Grenoble, F-38031 Grenoble, France. [Addy, T. N.; Harvey, A.; McFarlane, K. W.; Shin, T.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [da Costa, J. Barreiro Guimaraes; Belloni, A.; Butler, B.; Catastini, P.; Conti, G.; Franklin, M.; Huth, J.; Jeanty, L.; Mateos, D. Lopez; Mercurio, K. M.; Mills, C.; Morii, M.; Skottowe, H. P.; Spearman, W. R.; Yen, A. L.; della Porta, G. Zevi] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA 02138 USA. [Anders, G.; Andrei, V.; Brandt, O.; Davygora, Y.; Dietzsch, T. A.; Dunford, M.; Hanke, P.; Hofmann, J. I.; Khomich, A.; Kluge, E. -E.; Laier, H.; Lang, V. S.; Lendermann, V.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulon, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Anders, C. F.; Kasieczka, G.; Narayan, R.; Schaetzel, S.] Heidelberg Univ, Inst Phys, Heidelberg, Germany. [Colombo, T.; Kugel, A.; Schroer, N.] Heidelberg Univ, ZITI Inst Tech Informat, Heidelberg, Germany. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, Japan. [Brunet, S.; Evans, H.; Gagnon, P.; Luehring, F.; Ogren, H.; Penwell, J.; Poveda, J.; Whittington, D.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Franz, S.; Jussel, P.; Kneringer, E.; Nagai, K.; Ritsch, E.; Usanova, A.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Cinca, D.; Gandrajula, R. P.; Limper, M.; Mallik, U.; Mandrysch, R.; Morange, N.; Pylypchenko, Y.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; De Lorenzi, F.; Dudziak, F.; Krumnack, N.; Prell, S.; Ruiz-Martinez, A.; Shrestha, S.; Yamamoto, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Ahmadov, F.; Aleksandrov, I. N.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chizhov, M. V.; Dedovich, D. V.; Demichev, M.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Huseynov, N.; Karpov, S. N.; Kazarinov, M. Y.; Kharchenko, D.; Khramov, E.; Kotov, V. M.; Kruchonak, U.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Minashvili, I. A.; Mineev, M.; Olchevski, A. G.; Peshekhonov, V. D.; Plotnikova, E.; Potrap, I. N.; Pozdnyakov, V.; Rumyantsev, L.; Rusakovich, N. A.; Sadykov, R.; Sapronov, A.; Shiyakova, M.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.; Zimine, N. I.] Joint Inst Nucl Res, Dubna, Russia. [Amako, K.; Arai, Y.; Ikegami, Y.; Ikeno, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Kono, T.; Makida, Y.; Mitsui, S.; Nagano, K.; Nakamura, K.; Nozaki, M.; Odaka, S.; Sasaki, O.; Suzuki, Y.; Takubo, Y.; Tanaka, S.; Terada, S.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki, Japan. [Inamaru, Y.; King, M.; Kishimoto, T.; Kitamura, T.; Kurashige, H.; Kurumida, R.; Matsushita, T.; Ochi, A.; Shimizu, S.; Takeda, H.; Tani, K.; Watanabe, I.; Yamazaki, Y.; Yuan, L.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo 657, Japan. [Ishino, M.; Sasao, N.; Sumida, T.; Tashiro, T.] Kyoto Univ, Fac Sci, Kyoto, Japan. [Bold, T.; Takashima, R.] Kyoto Univ, Kyoto 612, Japan. [Kawagoe, K.; Oda, S.; Otono, H.; Tojo, J.] Kyushu Univ, Dept Phys, Fukuoka 812, Japan. [Verzini, M. J. Alconada; Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Univ Nacl La Plata, Inst Fis La Plata, La Plata, Argentina. [Verzini, M. J. Alconada; Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Consejo Nacl Invest Cient & Tecn, La Plata, Argentina. [Allison, L. J.; Barton, A. E.; Borissov, G.; Bouhova-Thacker, E. V.; Catmore, J. R.; Chilingarov, A.; Dearnaley, W. J.; Fox, H.; Grimm, K.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Maddocks, H. J.; Smizanska, M.; Walder, J.] Univ Lancaster, Dept Phys, Lancaster, England. [Chiodini, G.; Gorini, E.; Grancagnolo, F.; Orlando, N.; Perrino, R.; Primavera, M.; Spagnolo, S.; Ventura, A.] Ist Nazl Fis Nucl, Sez Lecce, I-73100 Lecce, Italy. [Gorini, E.; Orlando, N.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Matemat & Fis, Lecce, Italy. [Allport, P. P.; Bundock, A. C.; Burdin, S.; D'Onofrio, M.; Dervan, P.; Gwilliam, C. B.; Hayward, H. S.; Jackson, J. N.; Jackson, M.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kretzschmar, J.; Laycock, P.; Lehan, A.; Mahmoud, S.; Maxfield, S. J.; Mehta, A.; Migas, S.; Price, J.; Schnellbach, Y. J.; Sellers, G.; Vossebeld, J. H.; Waller, P.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Univ Ljubljana, Ljubljana, Slovenia. [Bona, M.; Carter, A. A.; Cerrito, L.; Eisenhandler, E.; Ellis, K.; Fletcher, G.; Goddard, J. R.; Hickling, R.; Landon, M. P. J.; Lloyd, S. L.; Morris, J. D.; Piccaro, E.; Rizvi, E.; Salamanna, G.; Snidero, G.; Castanheira, M. Teixeira Dias] Queen Mary Univ London, Sch Phys & Astron, London, England. [Alam, M. A.; Berry, T.; Boisvert, V.; Brooks, T.; Cantrill, R.; Connelly, I. A.; Cooper-Smith, N. J.; Cowan, G.; Duguid, L.; Edwards, C. A.; George, S.; Gibson, S. M.; Goncalo, R.; Vazquez, J. G. Panduro; Pastore, Fr.; Rose, M.; Spano, F.; Teixeira-Dias, P.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, S.; Bernat, P.; Bieniek, S. P.; Butterworth, J. M.; Campanelli, M.; Casadei, D.; Chislett, R. T.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Dobson, E.; Gutschow, C.; Hesketh, G. G.; Jansen, E.; Konstantinidis, N.; Lambourne, L.; Nash, M.; Nurse, E.; Ochoa, M. I.; Pilkington, A. D.; Prabhu, R.; Sherwood, P.; Simmons, B.; Taylor, C.; Wardrope, D. R.; Waugh, B. M.; Wijeratne, P. A.] UCL, Dept Phys & Astron, London, England. [Bernius, C.; Dhullipudi, R.; Greenwood, Z. D.; Sawyer, L.; Subramaniam, R.; Tamsett, M. C.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Bomben, M.; Bordoni, S.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Liu, K.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Liu, K.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.] Univ Paris Diderot, Paris, France. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Liu, K.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.] CNRS, IN2P3, Paris, France. [Akesson, T. P. A.; Bocchetta, S. S.; Bryngemark, L.; Floderus, A.; Hawkins, A. D.; Hedberg, V.; Jarlskog, G.; Lytken, E.; Meirose, B.; Mjoernmark, J. U.; Smirnova, O.; Viazlo, O.; Wielers, M.] Lund Univ, Inst Fys, Lund, Sweden. [Arnal, V.; Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Labarga, L.; Merino, J. Llorente; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. [Arnaez, O.; Blum, W.; Buescher, V.; Caputo, R.; Ellinghaus, F.; Endner, O. C.; Ertel, E.; Fiedler, F.; Goeringer, C.; Heck, T.; Hohlfeld, M.; Hsu, P. J.; Huelsing, T. A.; Ji, W.; Karnevskiy, M.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lungwitz, M.; Masetti, L.; Mattmann, J.; Meyer, C.; Moreno, D.; Moritz, S.; Mueller, T.; Neusiedl, A.; Poettgen, R.; Sander, H. G.; Schaefer, U.; Schmitt, C.; Schott, M.; Schroeder, C.; Schuh, N.; Simioni, E.; Tapprogge, S.; Wollstadt, S. J.; Zimmermann, C.] Johannes Gutenberg Univ Mainz, Inst Phys, Mainz, Germany. [Almond, J.; Borri, M.; Brown, G.; Chavda, V.; Cox, B. E.; Da Via, C.; Forti, A.; Howarth, J.; Joshi, K. D.; Klinger, J. A.; Loebinger, F. K.; Masik, J.; Neep, T. J.; Oh, A.; Owen, M.; Pater, J. R.; Price, D.; Robinson, J. E. M.; Tomlinson, L.; Watts, S.; Webb, S.; Woudstra, M. J.; Wyatt, T. R.; Yang, U. K.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Alio, L.; Barbero, M.; Bee, C. P.; Bertella, C.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Djama, F.; Etienne, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Maurer, J.; Monnier, E.; Nagai, Y.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Alio, L.; Barbero, M.; Bee, C. P.; Bertella, C.; Bousson, N.; Chen, L.; Clemens, J. C.; Coadou, Y.; Djama, F.; Etienne, F.; Feligioni, L.; Gao, J.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Maurer, J.; Monnier, E.; Nagai, Y.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] CNRS, IN2P3, Marseille, France. [Brau, B.; Colon, G.; Dallapiccola, C.; Meade, A.; Moyse, E. J. W.; Pais, P.; Pueschel, E.; Varol, T.; Ventura, D.; Willocq, S.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Belanger-Champagne, C.; Chapleau, B.; Cheatham, S.; Corriveau, F.; Mantifel, R.; Robertson, S. H.; Schram, M.; Stelzer, H. J.; Stelzer-Chilton, O.; Stockton, M. C.; Stoebe, M.; Vachon, B.; Wang, K.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ, Canada. [Barberio, E. L.; Diglio, S.; Hamano, K.; Jennens, D.; Kubota, T.; Limosani, A.; Hanninger, G. Nunes; Shao, Q. T.; Tan, K. G.; Taylor, G. N.; Thong, W. M.; Volpi, M.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Armbruster, A. J.; Chelstowska, M. A.; Cirilli, M.; Dai, T.; Diehl, E. B.; Dubbert, J.; Feng, H.; Ferretti, C.; Goldfarb, S.; Harper, D.; Levin, D.; Li, X.; Liu, L.; Long, J. D.; Mc Kee, S. P.; McCarn, A.; Neal, H. A.; Panikashvili, N.; Qian, J.; Scheirich, D.; Searcy, J.; Thun, R. P.; Walch, S.; Wilson, A.; Wu, Y.; Zhang, D.; Zhou, B.; Zhu, J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Abolins, M.; Gonzalez, B. Alvarez; Arabidze, G.; Brock, R.; Bromberg, C.; Caughron, S.; Halladjian, G.; Hauser, R.; Hayden, D.; Huston, J.; Koll, J.; Linnemann, J. T.; Martin, B.; Pope, B. G.; Schoenrock, B. 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E.; Richter, R.; Salihagic, D.; Sandstroem, R.; Schacht, P.; Schwegler, Ph.; Sforza, F.; Steinberg, P.; Stonjek, S.; Stern, S.; Terzo, S.; Vanadia, M.; von der Schmitt, H.; Weigell, P.; Wildauer, A.; Zanzi, D.] Max Planck Inst Phys & Astrophys, Werner Heisenberg Inst, D-80805 Munich, Germany. [Shimojima, M.] Nagasaki Inst Appl Sci, Nagasaki, Japan. [Aoki, M.; Hasegawa, S.; Morvaj, L.; Ohshima, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Aoki, M.; Hasegawa, S.; Morvaj, L.; Ohshima, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648601, Japan. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Carlino, G.; Chiefari, G.; Conventi, F.; de Asmundis, R.; Della Pietra, M.; Di Donato, C.; Doria, A.; Giordano, R.; Iengo, P.; Izzo, V.; Merola, L.; Patricelli, S.; Rossi, E.; Salvatore, D.; Sanchez, A.; Sekhniaidze, G.; Zurzolo, G.] Ist Nazl Fis Nucl, Sez Napoli, Naples, Italy. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Chiefari, G.; Di Donato, C.; Giordano, R.; Merola, L.; Patricelli, S.; Rossi, E.; Salvatore, D.; Sanchez, A.; Zurzolo, G.] Univ Naples Federico II, Dipartimento Sci Fis, Naples, Italy. [Gorelov, I.; Hoeferkamp, M. R.; Seidel, S. C.; Toms, K.; Wang, R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Besjes, G. J.; Caron, S.; Dao, V.; De Groot, N.; Filthaut, F.; Klok, P. F.; Koenig, A. C.; Salvucci, A.] Radboud Univ Nijmegen, Inst Math Astrophys & Particle Phys, NL-6525 ED Nijmegen, Netherlands. [Aben, R.; Ahmad, A.; Beemster, L. J.; Bentvelsen, S.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deluca, C.; Deviveiros, P. O.; Dhaliwal, S.; Ferrari, P.; Gadatsch, S.; Geerts, D. A. A.; Hartjes, F.; Hessey, N. P.; Hod, N.; Igonkina, O.; Kluit, P.; Koffeman, E.; Lee, H.; Lenz, T.; Linde, F.; Mahlstedt, J.; Mechnich, J.; Mussche, I.; Oussoren, K. P.; Pani, P.; Salek, D.; Valencic, N.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van Der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.; Weits, H.] Nikhef Natl Inst Subat Phys, Amsterdam, Netherlands. [Aben, R.; Beemster, L. J.; Bentvelsen, S.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deluca, C.; Deviveiros, P. O.; Dhaliwal, S.; Ferrari, P.; Gadatsch, S.; Geerts, D. A. A.; Hartjes, F.; Hessey, N. P.; Hod, N.; Igonkina, O.; Kluit, P.; Koffeman, E.; Lee, H.; Lenz, T.; Linde, F.; Mahlstedt, J.; Mechnich, J.; Mussche, I.; Oussoren, K. P.; Pani, P.; Salek, D.; Valencic, N.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van Der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.; Weits, H.] Univ Amsterdam, Amsterdam, Netherlands. [Ahmad, A.; Burghgrave, B.; Calkins, R.; Chakraborty, D.; Cole, S.; de Lima, J. G. Rocha; Suhr, C.; Yurkewicz, A.; Zutshi, V.] No Illinois Univ, Dept Phys, De Kalb, IL USA. [Anisenkov, A. V.; Beloborodova, O. L.; Bobrovnikov, V. S.; Bogdanchikov, A. G.; Kazanin, V. F.; Korol, A. A.; Malyshev, V. M.; Maslennikov, A. L.; Maximov, D. A.; Peleganchuk, S. V.; Skovpen, K. Yu.; Soukharev, A. M.; Talyshev, A. A.; Tikhonov, Yu. A.] RAS, Budker Inst Nucl Phys, SB, Novosibirsk, Russia. [Budick, B.; Cranmer, K.; Haas, A.; van Huysduynen, L. Hooft; Kaplan, B.; Karthik, K.; Konoplich, R.; Krasznahorkay, A.; Kreiss, S.; Lewis, G. H.; Mincer, A. I.; Nemethy, P.; Neves, R. M.; Prokofiev, K.] NYU, Dept Phys, New York, NY 10003 USA. [Fisher, M. J.; Gan, K. K.; Ishmukhametov, R.; Kagan, H.; Kass, R. D.; Merritt, H.; Moss, J.; Nagarkar, A.; Pignotti, D. T.; Yang, Y.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Fac Sci, Okayama 700, Japan. [Abbott, B.; Gutierrez, P.; Jana, D. K.; Marzin, A.; Meera-Lebbai, R.; Norberg, S.; Saleem, M.; Severini, H.; Skubic, P.; Snow, J.; Strauss, M.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Abi, B.; Khanov, A.; Rizatdinova, F.; Sidorov, D.; Yu, J.] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. [Hamal, P.; Hrabovsky, M.; Nozka, L.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Brau, J. E.; Brost, E.; Majewski, S.; Potter, C. T.; Ptacek, E.; Radloff, P.; Reinsch, A.; Shamim, M.; Strom, D. M.; Torrence, E.; Winklmeier, F.] Univ Oregon, Ctr High Energy Phys, Eugene, OR 97403 USA. [Khalek, S. Abdel; Auge, E.; Bassalat, A.; Binet, S.; Bourdarios, C.; Charfeddine, D.; De La Taille, C.; De Regie, J. B. 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[Conta, C.; Dondero, P.; Ferrari, R.; Fraternali, M.; Gaudio, G.; Lanza, A.; Livan, M.; Negri, A.; Polesello, G.; Rebuzzi, D. M.; Rimoldi, A.; Vercesi, V.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Conta, C.; Dondero, P.; Fraternali, M.; Livan, M.; Negri, A.; Rebuzzi, D. M.; Rimoldi, A.] Univ Pavia, Dipartimento Fis, I-27100 Pavia, Italy. [Brendlinger, K.; Degenhardt, J.; Fratina, S.; Heim, S.; Hines, E.; Hong, T. M.; Jackson, B.; Keener, P. T.; Kroll, J.; Kunkle, J.; Lester, C. M.; Lipeles, E.; Newcomer, F. M.; Olivito, D.; Ospanov, R.; Saxon, J.; Schaefer, D.; Stahlman, J.; Thomson, E.; Tuna, A. N.; Van Berg, R.; Williams, H. H.] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. [Fedin, O. L.; Gratchev, V.; Grebenyuk, O. G.; Maleev, V. P.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.; Solovyev, V.] Petersburg Nucl Phys Inst, Gatchina, Russia. 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[Bohm, J.; Chudoba, J.; Hejbal, J.; Jakoubek, T.; Kepka, O.; Kupco, A.; Kus, V.; Lokajicek, M.; Lysak, R.; Marcisovsky, M.; Mikestikova, M.; Myska, M.; Nemecek, S.; Dos Santos, D. Roda; Ruzicka, P.; Sicho, P.; Staroba, P.; Svatos, M.; Tasevsky, M.; Tic, T.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Augsten, K.; Gallus, P.; Gunther, J.; Jakubek, J.; Kohout, Z.; Kral, V.; Pospisil, S.; Seifert, F.; Simak, V.; Slavicek, T.; Smolek, K.; Sodomka, J.; Solar, M.; Solc, J.; Sopko, V.; Sopko, B.; Stekl, I.; Suk, M.; Turecek, D.; Vacek, V.; Vlasak, M.; Vokac, P.; Vykydal, Z.; Zeman, M.] Czech Tech Univ, Prague, Czech Republic. [Balek, P.; Berta, P.; Cerny, K.; Chalupkova, I.; Davidek, T.; Dolejsi, J.; Dolezal, Z.; Torregrosa, E. Fullana; Kodys, P.; Leitner, R.; Novakova, J.; Pleskot, V.; Rybar, M.; Spousta, M.; Sykora, T.; Tas, P.; Todorova-Nova, S.; Valkar, S.; Vorobel, V.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Ammosov, V. V.; Borisov, A.; Denisov, S. P.; Fakhrutdinov, R. M.; Fenyuk, A. B.; Golubkov, D.; Ivashin, A. V.; Karyukhin, A. N.; Korotkov, V. A.; Kozhin, A. S.; Minaenko, A. A.; Myagkov, A. G.; Nikolaenko, V.; Solodkov, A. A.; Solovyanov, O. V.; Starchenko, E. A.; Zaitsev, A. M.; Zenin, O.] Inst High Energy Phys, State Res Ctr, Protvino, Russia. [Adye, T.; Baines, J. T.; Barnett, B. M.; Burke, S.; Dewhurst, A.; Emeliyanov, D.; Gallop, B. J.; Gee, C. N. P.; Gillman, A. R.; Haywood, S. J.; Kirk, J.; Martin-Haugh, S.; McCubbin, N. A.; McMahon, S. J.; Middleton, R. P.; Murray, W. J.; Phillips, P. W.; Sankey, D. P. C.; Scott, W. G.; Tyndel, M.; Wickens, F. J.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Benslama, K.] Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. [Tanaka, S.] Ritsumeikan Univ, Kusatsu, Shiga, Japan. [Anulli, F.; Bagiacchi, P.; Bagnaia, P.; Bini, C.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Pedis, D.; De Salvo, A.; De Zorzi, G.; Di Domenico, A.; Dionisi, C.; Falciano, S.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Ippolito, V.; Kuna, M.; Lacava, F.; Luci, C.; Luminari, L.; Marzano, F.; Mirabelli, G.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Tehrani, F. Safai; Sidoti, A.; Camillocci, E. Solfaroli; Vari, R.; Veneziano, S.; Zanello, L.] Ist Nazl Fis Nucl, Sez Roma 1, Rome, Italy. [Bagiacchi, P.; Bagnaia, P.; Bini, C.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Zorzi, G.; Di Domenico, A.; Dionisi, C.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Ippolito, V.; Kuna, M.; Lacava, F.; Luci, C.; Camillocci, E. Solfaroli; Zanello, L.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Aielli, G.; Camarri, P.; Cattani, G.; Di Ciaccio, A.; Grossi, G. C.; Marchese, F.; Mazzaferro, L.; Santonico, R.] Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. [Bacci, C.; Baroncelli, A.; Biglietti, M.; Bortolotto, V.; Branchini, P.; Ceradini, F.; Di Micco, B.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Passeri, A.; Pastore, F.; Petrucci, F.; Stanescu, C.; Trovatelli, M.] Ist Nazl Fis Nucl, Sez Roma Tre, Rome, Italy. [Bacci, C.; Bortolotto, V.; Ceradini, F.; Di Micco, B.; Orestano, D.; Pastore, F.; Petrucci, F.; Trovatelli, M.] Univ Roma Tre, Dipartimento Matemat & Fis, Rome, Italy. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummada, A.; Lablaka, S.] Univ Hassan 2, Reseau Univ Phys Hautes Energies, Fac Sci Ain Chock, Casablanca, Morocco. [Ghazlane, H.] Ctr Natl Energie Sci Tech Nucl, Rabat, Morocco. [El Kacimi, M.; Goujdami, D.] Univ Cadi Ayyad, Fac Sci Semlalia, LPHEA, Marrakech, Morocco. [Boutouil, S.; Derkaoui, J. E.; Ouchrif, M.; Tayalati, Y.] Univ Mohamed Premier, Fac Sci, Oujda, Morocco. [Boutouil, S.; Derkaoui, J. 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A.; Seiden, A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Beckingham, M.; Blackburn, D.; Coccaro, A.; Goussiou, A. G.; Harris, O. M.; Hsu, S. -C.; Keller, J. S.; Lubatti, H. J.; Marx, M.; Rompotis, N.; Rosten, R.; Rothberg, J.; De Bruin, P. H. Sales; Verducci, M.; Watts, G.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Costanzo, D.; Donszelmann, T. Cuhadar; Dawson, I.; Fletcher, G. T.; Hodgkinson, M. C.; Hodgson, P.; Johansson, P.; Korolkova, E. V.; Paredes, B. Lopez; Mcfayden, J. A.; Miyagawa, P. S.; Owen, S.; Paganis, E.; Suruliz, K.; Tovey, D. R.; Tua, A.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Takeshita, T.] Shinshu Univ, Dept Phys, Nagano, Japan. [Atlay, N. B.; Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Grybel, K.; Ibragimov, I.; Ikematsu, K.; Rammes, M.; Rosenthal, O.; Walkowiak, W.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, D-57068 Siegen, Germany. [Dawe, E.; Godfrey, J.; Kvita, J.; O'Neil, D. C.; Petteni, M.; Staszewski, R.; Stelzer, B.; Tanasijczuk, A. J.; Torres, H.; Trottier-McDonald, M.; Vetterli, M. C.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Aracena, I.; Mayes, J. Backus; Barklow, T.; Bartoldus, R.; Bawa, H. S.; Black, J. E.; Cogan, J. G.; Eifert, T.; Fulsom, B. G.; Gao, Y. S.; Garelli, N.; Grenier, P.; Hansson, P.; Kagan, M.; Kocian, M.; Koi, T.; Lowe, A. J.; Malone, C.; Mount, R.; Nelson, T. K.; Piacquadio, G.; Salnikov, A.; Schwartzman, A.; Silverstein, D.; Strauss, E.; Su, D.; Swiatlowski, M.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Astalos, R.; Bartos, P.; Batkova, L.; Blazek, T.; Federic, P.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Antos, J.; Bruncko, D.; Kladiva, E.; Seman, M.; Strizenec, P.] Slovak Acad Sci, Inst Expt Phys, Dept Subnucl Phys, Kosice 04353, Slovakia. [Hamilton, A.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa. [Aurousseau, M.; Castaneda-Miranda, E.; Yacoob, S.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Carrillo-Montoya, G. D.; Huang, Y.; Leney, K. J. C.; Garcia, B. R. Mellado; Quayle, W. B.; Ruan, X.; Vickey, T.; Boeriu, O. E. Vickey] Univ Witwatersrand, Sch Phys, Johannesburg, South Africa. [Abulaiti, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Bohm, C.; Clement, C.; Eriksson, D.; Gellerstedt, K.; Hellman, S.; Johansson, K. E.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, J.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Rossetti, V.; Silverstein, S. B.; Sjoelin, J.; Strandberg, S.; Tylmad, M.] Stockholm Univ, Dept Phys, Stockholm, Sweden. [Abulaiti, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Clement, C.; Gellerstedt, K.; Hellman, S.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, J.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Rossetti, V.; Sjoelin, J.; Strandberg, S.; Tylmad, M.] Oskar Klein Ctr, Stockholm, Sweden. [Jovicevic, J.; Kuwertz, E. S.; Lund-Jensen, B.; Morley, A. K.; Strandberg, J.; Van Nieuwkoop, J.] Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. [Ahmad, A.; Arfaoui, S.; Chen, K.; DeWilde, B.; Engelmann, R.; Goodson, J. J.; Grassi, V.; Gray, J. A.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Mohapatra, S.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Stupak, J.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Ahmad, A.; Arfaoui, S.; Chen, K.; DeWilde, B.; Engelmann, R.; Goodson, J. J.; Grassi, V.; Gray, J. A.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Mohapatra, S.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Stupak, J.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Bartsch, V.; Cerri, A.; De Santo, A.; Grout, Z. J.; Potter, C. J.; Rosbach, K.; Salvatore, F.; Castillo, I. Santoyo; Sutton, M. R.; Vivarelli, I.] Univ Sussex, Dept Phys & Astron, Brighton, E Sussex, England. [Bangert, A.; Black, C. W.; Cuthbert, C.; Jeng, G. -Y.; Patel, N. D.; Saavedra, A. F.; Scarcella, M.; Varvell, K. E.; Watson, I. J.; Waugh, A. T.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Chu, M. L.; Hou, S.; Jamin, D. O.; Lee, C. A.; Lee, S. C.; Lin, S. C.; Liu, B.; Liu, D.; Lo Sterzo, F.; Mazini, R.; Ren, Z. L.; Soh, D. A.; Teng, P. K.; Wang, J.; Wang, S. M.; Weng, Z.; Zhang, L.] Acad Sinica, Inst Phys, Taipei, Taiwan. [Di Mattia, A.; Kopeliansky, R.; Musto, E.; Rozen, Y.; Tarem, S.] Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Bella, G.; Benary, O.; Benhammou, Y.; Etzion, E.; Gershon, A.; Gueta, O.; Guttman, N.; Munwes, Y.; Oren, Y.; Sadeh, I.; Silver, Y.; Soffer, A.; Taiblum, N.] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Bachas, K.; Gkialas, I.; Iliadis, D.; Kordas, K.; Kouskoura, V.; Nomidis, I.; Papageorgiou, K.; Petridou, C.; Sampsonidis, D.] Aristotle Univ Thessaloniki, Dept Phys, GR-54006 Thessaloniki, Greece. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamaguchi, Y.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yoshihara, K.] Univ Tokyo, Int Ctr Elementary Particle Phys, Tokyo, Japan. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamaguchi, Y.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yoshihara, K.] Univ Tokyo, Dept Phys, Tokyo, Japan. [Bratzler, U.; Fukunaga, C.] Tokyo Metropolitan Univ, Grad Sch Sci & Technol, Tokyo 158, Japan. [Ishitsuka, M.; Jinnouchi, O.; Kanno, T.; Kuze, M.; Nagai, R.; Nobe, T.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [AbouZeid, O. S.; Bailey, D. C.; Brelier, B.; Farooque, T.; Fatholahzadeh, B.; Ilic, N.; Keung, J.; Krieger, P.; Mc Goldrick, G.; Orr, R. S.; Polifka, R.; Rudolph, M. S.; Savard, P.; Schramm, S.; Spreitzer, T.; Taenzer, J.; Teuscher, R. J.; Thompson, P. D.; Trischuk, W.; Venturi, N.] Univ Toronto, Dept Phys, Toronto, ON, Canada. [Azuelos, G.; Canepa, A.; Chekulaev, S. V.; Fortin, D.; Gingrich, D. M.; Koutsman, A.; Losty, M. J.; Oakham, F. G.; Oram, C. J.; Codina, E. Perez; Savard, P.; Schouten, D.; Seuster, R.; Steele, G.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.; Vetterli, M. C.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Garcia, J. A. Benitez; Bustos, A. C. Florez; Palacino, G.; Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON M3J 2R7, Canada. [Hara, K.; Hayashi, T.; Kim, S. H.; Kiuchi, K.; Kurata, M.; Ukegawa, F.] Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan. [Beauchemin, P. H.; Hamilton, S.; Meoni, E.; Napier, A.; Rolli, S.; Sliwa, K.; Wetter, J.] Tufts Univ, Dept Phys & Astron, Medford, MA 02155 USA. [Losada, M.; Navas, L. Mendoza; Navarro, G.; Sandoval, C.] Univ Antonio Narino, Ctr Invest, Bogota, Colombia. [Corso-Radu, A.; Farrell, S.; Gerbaudo, D.; Lankford, A. J.; Magnoni, L.; Mete, A. S.; Nelson, A.; Rao, K.; Relich, M.; Scannicchio, D. A.; Schernau, M.; Taffard, A.; Toggerson, B.; Unel, G.; Whiteson, D.; Zhou, N.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. [Acharya, B. S.; Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Pinamonti, M.; Shaw, K.; Soualah, R.] Ist Nazl Fis Nucl, Grp Collegato Udine, Turin, Italy. [Acharya, B. S.] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Pinamonti, M.; Shaw, K.; Soualah, R.] Univ Udine, Dipartimento Chim Fis& Ambiente, I-33100 Udine, Italy. [Atkinson, M.; Basye, A.; Benekos, N.; Cavaliere, V.; Chang, P.; Coggeshall, J.; Errede, D.; Errede, S.; Lie, K.; Liss, T. M.; Neubauer, M. S.; Vichou, I.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Brenner, R.; Buszello, C. P.; Coniavitis, E.; Ekelof, T.; Ellert, M.; Ferrari, A.; Isaksson, C.; Madsen, A.; Pelikan, D.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, Inst Fis Corpuscular IFIC, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, Dept Fis Atom Mol & Nucl, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, Dept Ingn Elect, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valencia, IMB, CNM, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; de la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] CSIC, Valencia, Spain. [Fedorko, W.; Gay, C.; Gecse, Z.; King, S. B.; Lister, A.; Loh, C. W.; Swedish, S.; Viel, S.] Univ British Columbia, Dept Phys, Vancouver, BC, Canada. [Albert, J.; Astbury, A.; Bansal, V.; Berghaus, F.; Bernlochner, F. U.; Courneyea, L.; David, C.; Fincke-Keeler, M.; Keeler, R.; Kowalewski, R.; Lefebvre, M.; Lessard, J-R.; Marino, C. P.; Martyniuk, A. C.; McPherson, R. A.; Ouellette, E. A.; Pearce, J.; Sobie, R.] Univ Victoria, Dept Mech Engn, Victoria, BC V8W 2Y2, Canada. [Farrington, S. M.; Harrison, P. F.; Janus, M.; Jeske, C.; Jones, G.; Martin, T. A.; Pianori, E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Iizawa, T.; Kimura, N.; Mitani, T.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo, Japan. [Alon, R.; Barak, L.; Bressler, S.; Citron, Z. H.; Duchovni, E.; Gabizon, O.; Gross, E.; Groth-Jensen, J.; Lellouch, D.; Levinson, L. J.; Mikenberg, G.; Milov, A.; Milstein, D.; Roth, I.; Schaarschmidt, J.; Silbert, O.; Smakhtin, V.; Vitells, O.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Banerjee, Sw.; Chen, X.; Dos Anjos, A.; Castillo, L. R. Flores; Hard, A. S.; Jared, R. C.; Ji, H.; Ju, X.; Kashif, L.; Kruse, A.; Ming, Y.; Pan, Y. B.; Wiedenmann, W.; Wu, S. L.; Yang, H.; Zobernig, G.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Fleischmann, P.; Redelbach, A.; Schreyer, M.; Stroehmer, R.; Tam, J. Y. C.; Trefzger, T.; Weber, S. W.] Univ Wurzburg, Fak Phys & Astron, Wurzburg, Germany. [Barisonzi, M.; Becker, K.; Beermann, T. A.; Boek, J.; Boek, T. T.; Braun, H. M.; Cornelissen, T.; Duda, D.; Ernis, G.; Fischer, J.; Fleischmann, S.; Flick, T.; Gorfine, G.; Hamacher, K.; Harenberg, T.; Hirschbuehl, D.; Kalinin, S.; Kersten, S.; Khoroshilov, A.; Kohlmann, S.; Lenzen, G.; Maettig, P.; Mechtel, M.; Neumann, M.; Pataraia, S.; Sandhoff, M.; Sartisohn, G.; Sturm, P.; Wagner, W.; Wicke, D.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich Phys C, Wuppertal, Germany. [Adelman, J.; Baker, O. K.; Bedikian, S.; Almenar, C. Cuenca; Cummings, J.; Czyczula, Z.; Demers, S.; Erdmann, J.; Garberson, F.; Golling, T.; Guest, D.; Henrichs, A.; Ideal, E.; Lagouri, T.; Lee, L.; Leister, A. G.; Loginov, A.; Tipton, P.; Wall, R.; Walsh, B.; Wang, X.] Yale Univ, Dept Phys, New Haven, CT USA. [Hakobyan, H.; Vardanyan, G.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Rahal, G.] Inst Natl Phys Nucl & Phys Particules, Ctr Calcul, IN2P3, Villeurbanne, France. [Acharya, B. S.] Kings Coll London, Dept Phys, London, England. [Ahmadov, F.; Huseynov, N.] Azerbaijan Acad Sci, Inst Phys, Baku 370143, Azerbaijan. [Apolle, R.; Davies, E.; Mattravers, C.; Wielers, M.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Bawa, H. S.; Gao, Y. S.; Lowe, A. J.; Nash, M.] Calif State Univ Fresno, Dept Phys, Fresno, CA 93740 USA. [Beloborodova, O. L.; Maximov, D. A.; Talyshev, A. A.; Tikhonov, Yu. A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Chen, L.; Gao, J.] Aix Marseille Univ, CPPM, Marseille, France. [Conventi, F.; Della Pietra, M.] Univ Napoli Parthenope, Naples, Italy. [Corriveau, F.; McPherson, R. A.; Robertson, S. H.; Sobie, R.; Teuscher, R. J.] Inst Particle Phys, Ottawa, ON, Canada. [Demirkoz, B.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Dhullipudi, R.; Greenwood, Z. D.; Sawyer, L.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Fiolhais, M. C. N.; Oliveira, M.] Univ Coimbra, Dept Phys, Coimbra, Portugal. 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E.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Pasztor, G.; Toth, J.] Wigner Res Ctr Phys, Inst Particle & Nucl Phys, Budapest, Hungary. [Peters, R. F. Y.] DESY, Hamburg, Germany. [Peters, R. F. Y.] DESY, Zeuthen, Germany. [Pinamonti, M.] Int Sch Adv Studies SISSA, Trieste, Italy. [Purohit, M.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Smirnova, L. N.; Turchikhin, S.] Moscow MV Lomonosov State Univ, Fac Phys, Moscow, Russia. [Tamsett, M. C.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Tikhomirov, V. O.] Moscow Engn & Phys Inst MEPhI, Moscow, Russia. [Vickey, T.] Univ Oxford, Dept Phys, Oxford, England. [Wildt, M. A.] Univ Hamburg, Inst Expt Phys, Hamburg, Germany. [Xu, C.] CEA Saclay, IRFU Inst Rech Lois Fondament Univers, DSM, F-91191 Gif Sur Yvette, France. [Xu, L.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Yacoob, S.] Univ KwaZulu Natal, Discipline Phys, Durban, South Africa. RP Aad, G (reprint author), Univ Freiburg, Fak Math & Phys, Hugstetter Str 55, D-79106 Freiburg, Germany. RI Smirnova, Oxana/A-4401-2013; White, Ryan/E-2979-2015; Joergensen, Morten/E-6847-2015; Riu, Imma/L-7385-2014; Mir, Lluisa-Maria/G-7212-2015; Della Pietra, Massimo/J-5008-2012; Cavalli-Sforza, Matteo/H-7102-2015; Petrucci, Fabrizio/G-8348-2012; Negrini, Matteo/C-8906-2014; Ferrer, Antonio/H-2942-2015; Grancagnolo, Sergio/J-3957-2015; spagnolo, stefania/A-6359-2012; Lei, Xiaowen/O-4348-2014; Ferrando, James/A-9192-2012; Doyle, Anthony/C-5889-2009; Di Domenico, Antonio/G-6301-2011; de Groot, Nicolo/A-2675-2009; Wemans, Andre/A-6738-2012; Nemecek, Stanislav/G-5931-2014; Demirkoz, Bilge/C-8179-2014; Gutierrez, Phillip/C-1161-2011; Ventura, Andrea/A-9544-2015; Livan, Michele/D-7531-2012; De, Kaushik/N-1953-2013; Mitsou, Vasiliki/D-1967-2009; Bosman, Martine/J-9917-2014; Villa, Mauro/C-9883-2009; Warburton, Andreas/N-8028-2013; Brooks, William/C-8636-2013; Alexa, Calin/F-6345-2010; Boyko, Igor/J-3659-2013; Kuleshov, Sergey/D-9940-2013; Gabrielli, Alessandro/H-4931-2012; Lokajicek, Milos/G-7800-2014; Castro, Nuno/D-5260-2011; Moraes, Arthur/F-6478-2010; Staroba, Pavel/G-8850-2014; Yang, Haijun/O-1055-2015; Monzani, Simone/D-6328-2017; Vanadia, Marco/K-5870-2016; Ippolito, Valerio/L-1435-2016; Mora Herrera, Maria Clemencia/L-3893-2016; Maneira, Jose/D-8486-2011; messina, andrea/C-2753-2013; Prokoshin, Fedor/E-2795-2012; Canelli, Florencia/O-9693-2016; Gauzzi, Paolo/D-2615-2009; Fabbri, Laura/H-3442-2012; Solodkov, Alexander/B-8623-2017; Zaitsev, Alexandre/B-8989-2017; Peleganchuk, Sergey/J-6722-2014; Gonzalez de la Hoz, Santiago/E-2494-2016; Guo, Jun/O-5202-2015; Aguilar Saavedra, Juan Antonio/F-1256-2016; Leyton, Michael/G-2214-2016; Jones, Roger/H-5578-2011; Vranjes Milosavljevic, Marija/F-9847-2016; Perrino, Roberto/B-4633-2010; SULIN, VLADIMIR/N-2793-2015; Nechaeva, Polina/N-1148-2015; Vykydal, Zdenek/H-6426-2016; Olshevskiy, Alexander/I-1580-2016; Snesarev, Andrey/H-5090-2013; Solfaroli Camillocci, Elena/J-1596-2012; Ciubancan, Liviu Mihai/L-2412-2015; Shmeleva, Alevtina/M-6199-2015; Camarri, Paolo/M-7979-2015; Gavrilenko, Igor/M-8260-2015; Tikhomirov, Vladimir/M-6194-2015; Chekulaev, Sergey/O-1145-2015; Gorelov, Igor/J-9010-2015; Gladilin, Leonid/B-5226-2011; Andreazza, Attilio/E-5642-2011; Carvalho, Joao/M-4060-2013; Mashinistov, Ruslan/M-8356-2015; Buttar, Craig/D-3706-2011 OI Smirnova, Oxana/0000-0003-2517-531X; White, Ryan/0000-0003-3589-5900; Joergensen, Morten/0000-0002-6790-9361; Riu, Imma/0000-0002-3742-4582; Mir, Lluisa-Maria/0000-0002-4276-715X; Della Pietra, Massimo/0000-0003-4446-3368; Petrucci, Fabrizio/0000-0002-5278-2206; Negrini, Matteo/0000-0003-0101-6963; Ferrer, Antonio/0000-0003-0532-711X; Grancagnolo, Sergio/0000-0001-8490-8304; spagnolo, stefania/0000-0001-7482-6348; Lei, Xiaowen/0000-0002-2564-8351; Ferrando, James/0000-0002-1007-7816; Doyle, Anthony/0000-0001-6322-6195; Di Domenico, Antonio/0000-0001-8078-2759; Wemans, Andre/0000-0002-9669-9500; Ventura, Andrea/0000-0002-3368-3413; Livan, Michele/0000-0002-5877-0062; De, Kaushik/0000-0002-5647-4489; Mitsou, Vasiliki/0000-0002-1533-8886; Bosman, Martine/0000-0002-7290-643X; Villa, Mauro/0000-0002-9181-8048; Warburton, Andreas/0000-0002-2298-7315; Brooks, William/0000-0001-6161-3570; Boyko, Igor/0000-0002-3355-4662; Kuleshov, Sergey/0000-0002-3065-326X; Gabrielli, Alessandro/0000-0001-5346-7841; Castro, Nuno/0000-0001-8491-4376; Moraes, Arthur/0000-0002-5157-5686; Monzani, Simone/0000-0002-0479-2207; Vanadia, Marco/0000-0003-2684-276X; Ippolito, Valerio/0000-0001-5126-1620; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Maneira, Jose/0000-0002-3222-2738; Prokoshin, Fedor/0000-0001-6389-5399; Canelli, Florencia/0000-0001-6361-2117; Gauzzi, Paolo/0000-0003-4841-5822; Fabbri, Laura/0000-0002-4002-8353; Solodkov, Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368; Peleganchuk, Sergey/0000-0003-0907-7592; Gonzalez de la Hoz, Santiago/0000-0001-5304-5390; Guo, Jun/0000-0001-8125-9433; Aguilar Saavedra, Juan Antonio/0000-0002-5475-8920; Leyton, Michael/0000-0002-0727-8107; Jones, Roger/0000-0002-6427-3513; Vranjes Milosavljevic, Marija/0000-0003-4477-9733; Perrino, Roberto/0000-0002-5764-7337; SULIN, VLADIMIR/0000-0003-3943-2495; Vykydal, Zdenek/0000-0003-2329-0672; Olshevskiy, Alexander/0000-0002-8902-1793; Solfaroli Camillocci, Elena/0000-0002-5347-7764; Ciubancan, Liviu Mihai/0000-0003-1837-2841; Camarri, Paolo/0000-0002-5732-5645; Tikhomirov, Vladimir/0000-0002-9634-0581; Gorelov, Igor/0000-0001-5570-0133; Gladilin, Leonid/0000-0001-9422-8636; Andreazza, Attilio/0000-0001-5161-5759; Carvalho, Joao/0000-0002-3015-7821; Mashinistov, Ruslan/0000-0001-7925-4676; FU ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF; FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq; FAPESP, Brazil; NSERC; NRC; CFI, Canada; CERN; CONICYT, Chile; CAS; MOST; NSFC, China; COLCIENCIAS, Colombia; MSMT CR; MPO CR; VSC CR, Czech Republic; DNRF; DNSRC; Lundbeck Foundation, Denmark; EPLANET; ERC; NSRF; European Union; IN2P3-CNRS; CEA-DSM/IRFU, France; GNSF, Georgia; BMBF; DFG; HGF; MPG; AvH Foundation, Germany; GSRT; NSRF, Greece; ISF; MIN-ERVA; GIF; I-CORE; Benoziyo Center, Israel; INFN, Italy; MEXT; JSPS, Japan; CNRST, Morocco; FOM; NWO, Netherlands; BRF; RCN, Norway; MNiSW; NCN, Poland; GRICES; FCT, Portugal; MNE/IFA, Romania; MES of Russia; ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS; MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC; Wallenberg Foundation, Sweden; SER; SNSF; Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC; Royal Society; Leverhulme Trust, United Kingdom; DOE; NSF, United States of America FX We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF and FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; EPLANET, ERC and NSRF, European Union; IN2P3-CNRS, CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, DFG, HGF, MPG and AvH Foundation, Germany; GSRT and NSRF, Greece; ISF, MIN-ERVA, GIF, I-CORE and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; BRF and RCN, Norway; MNiSW and NCN, Poland; GRICES and FCT, Portugal; MNE/IFA, Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC and Wallenberg Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America. NR 50 TC 5 Z9 5 U1 5 U2 103 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL 30 PY 2014 IS 7 AR 154 DI 10.1007/JHEP07(2014)154 PG 52 WC Physics, Particles & Fields SC Physics GA AN2CP UT WOS:000340391300001 ER PT J AU Lin, L Garcia, A Huhs, G Yang, C AF Lin, Lin Garcia, Alberto Huhs, Georg Yang, Chao TI SIESTA-PEXSI: massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE Kohn-Sham density functional theory; fast algorithm; atomic orbitals; large scale simulation; parallel computation ID ELECTRONIC-STRUCTURE CALCULATIONS; DENSITY-FUNCTIONAL THEORY; BASIS-SETS AB We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SIESTA method, which uses numerical atomic orbitals within the Kohn-Sham density functional theory (KSDFT) framework. The PEXSI technique can efficiently utilize the sparsity pattern of the Hamiltonian and overlap matrices generated in SIESTA, and for large systems it has a much lower computational complexity than that associated with the matrix diagonalization procedure. The PEXSI technique can be used to evaluate the electron density, free energy, atomic forces, density of states and local density of states without computing any eigenvalue or eigenvector of the Kohn-Sham Hamiltonian. It can achieve accuracy fully comparable to that obtained from a matrix diagonalization procedure for general systems, including metallic systems at low temperature. The PEXSI method is also highly scalable. With the recently developed massively parallel PEXSI technique, we can make efficient use of more than 10 000 processors on high performance machines. We demonstrate the performance and accuracy of the SIESTA-PEXSI method using several examples of large scale electronic structure calculations, including 1D, 2D and bulk problems with insulating, semi-metallic, and metallic character. C1 [Lin, Lin; Yang, Chao] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Garcia, Alberto] Inst Ciencia Mat Barcelona ICMAB, CSIC, E-08193 Barcelona, Spain. [Huhs, Georg] Barcelona Supercomputing Ctr, Barcelona 08034, Spain. RP Lin, L (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM linlin@lbl.gov RI Garcia, Alberto/A-7460-2008; OI Garcia, Alberto/0000-0001-5138-9579; Huhs, Georg/0000-0002-0898-4150 FU Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under the US Department of Energy [DE-AC02-05CH11231]; Scientific Discovery through Advanced Computing (SciDAC) program - US Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences; Center for Applied Mathematics for Energy Research Applications (CAMERA); European Community's Seventh Framework Programme under the PRACE Project [283493]; Spanish MINECO [FIS2009-12721-C04-03, FIS2012-37549-C05-05, CSD2007-00050]; Generalitat de Catalunya [2014 SGR 301] FX This work was partially supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under the US Department of Energy contract number DE-AC02-05CH11231, by Scientific Discovery through Advanced Computing (SciDAC) program funded by the US Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences, by the Center for Applied Mathematics for Energy Research Applications (CAMERA), which is a partnership between Basic Energy Sciences and Advanced Scientific Computing Research at the US Department of Energy (LL and CY), by the European Community's Seventh Framework Programme [FP7/2007-2013] under the PRACE Project grant agreement number 283493 (G. H.), by the Spanish MINECO through grants FIS2009-12721-C04-03, FIS2012-37549-C05-05 and CSD2007-00050 and by Generalitat de Catalunya (2014 SGR 301) (AG). NR 31 TC 11 Z9 11 U1 0 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUL 30 PY 2014 VL 26 IS 30 AR 305503 DI 10.1088/0953-8984/26/30/305503 PG 15 WC Physics, Condensed Matter SC Physics GA AN5UG UT WOS:000340656200008 PM 25007803 ER PT J AU Wang, KF Ryu, HJ Kampert, E Uhlarz, M Warren, J Wosnitza, J Petrovic, C AF Wang, Kefeng Ryu, Hyejin Kampert, Erik Uhlarz, M. Warren, J. Wosnitza, J. Petrovic, C. TI Nonmetallic Low-Temperature Normal State of K0.7Fe1.46Se1.85Te0.15 SO PHYSICAL REVIEW X LA English DT Article ID STRONG MAGNETIC-FIELD; PHASE-SEPARATION; SUPERCONDUCTIVITY; LA2-XSRXCUO4; METALS; MAGNETORESISTANCE; RESISTIVITY; DEPENDENCE; KXFE2-YSE2; CROSSOVER AB The normal-state in-plane resistivity below the zero-field superconducting transition temperature T-c and the upper critical field mu(0) H-c2(T) was measured by suppressing superconductivity in pulsed magnetic fields for K0.70Fe1.46Se1.85Te0.15. The normal-state resistivity rho(ab) is found to increase logarithmically with decreasing temperature as (T/T-c) -> 0. Similar to granular metals, our results suggest that a superconductor-insulator transition below zero-field T-c may be induced in high magnetic fields. This is related to the intrinsic real-space phase-separated states common to all inhomogeneous superconductors. C1 [Wang, Kefeng; Ryu, Hyejin; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Ryu, Hyejin; Petrovic, C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kampert, Erik; Uhlarz, M.; Wosnitza, J.] Helmholtz Zentrum Dresden Rossendorf, Hochfeld Magnetlabor Dresden, D-01314 Dresden, Germany. [Warren, J.] Brookhaven Natl Lab, Instrument Div, Upton, NY 11973 USA. [Wosnitza, J.] Tech Univ Dresden, Inst Festkorperphys, D-01062 Dresden, Germany. RP Wang, KF (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM kwang@bnl.gov; petrovic@bnl.gov RI Wang, Kefeng/E-7683-2011; Petrovic, Cedomir/A-8789-2009; Kampert, Erik/N-2313-2015 OI Wang, Kefeng/0000-0002-8449-9720; Petrovic, Cedomir/0000-0001-6063-1881; Kampert, Erik/0000-0002-7159-8578 FU U.S. DOE [DE-AC02-98CH10886]; Center for Emergent Superconductivity; Energy Frontier Research Center - U.S. DOE, Office for Basic Energy Science; HLD at HZDR; Alexander von Humboldt Foundation FX We thank Myron Strongin and Dragana Popovic for useful discussions. Work at Brookhaven is supported by the U.S. DOE under Contract No. DE-AC02-98CH10886 and in part by the Center for Emergent Superconductivity, an Energy Frontier Research Center funded by the U.S. DOE, Office for Basic Energy Science (K. W. and C. P.). We acknowledge the support of the HLD at HZDR, member of the European Magnet Field Laboratory. C. P. acknowledges support from the Alexander von Humboldt Foundation. NR 50 TC 2 Z9 2 U1 4 U2 38 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2160-3308 J9 PHYS REV X JI Phys. Rev. X PD JUL 30 PY 2014 VL 4 IS 3 AR 031018 DI 10.1103/PhysRevX.4.031018 PG 7 WC Physics, Multidisciplinary SC Physics GA AN4XA UT WOS:000340591700001 ER PT J AU Shokair, TM Root, J Van Bibber, KA Brubaker, B Gurevich, YV Cahn, SB Lamoreaux, SK Anil, MA Lehnert, KW Mitchell, BK Reed, A Carosi, G AF Shokair, T. M. Root, J. Van Bibber, K. A. Brubaker, B. Gurevich, Y. V. Cahn, S. B. Lamoreaux, S. K. Anil, M. A. Lehnert, K. W. Mitchell, B. K. Reed, A. Carosi, G. TI Future directions in the microwave cavity search for dark matter axions SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article DE Axion; dark matter; microwave cavity; superconductivity; Josephson parametric amplifiers ID QUANTUM INTERFERENCE DEVICE; COSMIC AXIONS; RADIOFREQUENCY-AMPLIFIER; CP INVARIANCE; LIMITS; NOISE AB The axion is a light pseudoscalar particle which suppresses CP-violating effects in strong interactions and also happens to be an excellent dark matter candidate. Axions constituting the dark matter halo of our galaxy may be detected by their resonant conversion to photons in a microwave cavity permeated by a magnetic field. The current generation of the microwave cavity experiment has demonstrated sensitivity to plausible axion models, and upgrades in progress should achieve the sensitivity required for a definitive search, at least for low mass axions. However, a comprehensive strategy for scanning the entire mass range, from 1-1000 mu eV, will require significant technological advances to maintain the needed sensitivity at higher frequencies. Such advances could include sub-quantum-limited amplifiers based on squeezed vacuum states, bolometers, and/or superconducting microwave cavities. The Axion Dark Matter eXperiment at High Frequencies (ADMX-HF) represents both a pathfinder for first data in the 20-100 mu eV range (similar to 5-25 GHz), and an innovation test-bed for these concepts. C1 [Shokair, T. M.; Root, J.; Van Bibber, K. A.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Brubaker, B.; Gurevich, Y. V.; Cahn, S. B.; Lamoreaux, S. K.] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Anil, M. A.; Lehnert, K. W.; Mitchell, B. K.; Reed, A.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Carosi, G.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. RP Shokair, TM (reprint author), Univ Calif Berkeley, Dept Nucl Engn, 4153 Etcheverry Hall, Berkeley, CA 94720 USA. EM shokair@berkeley.edu RI Lehnert, Konrad/B-7577-2009 OI Lehnert, Konrad/0000-0002-0750-9649 FU National Science Foundation [PHY-1067242, PHY-1306729]; U.S. Department of Energy by Lawrence Livermore National Security, LLC, Lawrence Livermore National Laboratory [DE-AC52-07NA27344.] FX This work was supported under the auspices of the National Science Foundation, under grants PHY-1067242, and PHY-1306729, and the auspices of the U.S. Department of Energy by Lawrence Livermore National Security, LLC, Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 34 TC 8 Z9 8 U1 1 U2 11 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD JUL 30 PY 2014 VL 29 IS 19 AR 1443004 DI 10.1142/S0217751X14430040 PG 19 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AN0US UT WOS:000340300100005 ER PT J AU Adamczyk, L Adkins, JK Agakishiev, G Aggarwal, MM Ahammed, Z Alekseev, I Alford, J Anson, CD Aparin, A Arkhipkin, D Aschenauer, EC Averichev, GS Banerjee, A Beavis, DR Bellwied, R Bhasin, A Bhati, AK Bhattarai, P Bichsel, H Bielcik, J Bielcikova, J Bland, LC Bordyuzhin, IG Borowski, W Bouchet, J Brandin, AV Brovko, SG Bultmann, S Bunzarov, I Burton, TP Butterworth, J Caines, H Sanchez, MCD Cebra, D Cendejas, R Cervantes, MC Chaloupka, P Chang, Z Chattopadhyay, S Chen, HF Chen, JH Chen, L Cheng, J Cherney, M Chikanian, A Christie, W Chwastowski, J Codrington, MJM Contin, G Cramer, JG Crawford, HJ Cui, X Das, S Leyva, AD De Silva, LC Debbe, RR Dedovich, TG Deng, J Derevschikov, AA De Souza, RD Dhamija, S di Ruzza, B Didenko, L Dilks, C Ding, F Djawotho, P Dong, X Drachenberg, JL Draper, JE Du, CM Dunkelberger, LE Dunlop, JC Efimov, LG Engelage, J Engle, KS Eppley, G Eun, L Evdokimov, O Eyser, O Fatemi, R Fazio, S Fedorisin, J Filip, P Finch, E Fisyak, Y Flores, CE Gagliardi, CA Gangadharan, DR Garand, D Geurts, F Gibson, A Girard, M Gliske, S Greiner, L Grosnick, D Gunarathne, DS Guo, Y Gupta, A Gupta, S Guryn, W Haag, B Hamed, A Han, LX Haque, R Harris, JW Heppelmann, S Hirsch, A Hoffmann, GW Hofman, DJ Horvat, S Huang, B Huang, HZ Huang, X Huck, P Humanic, TJ Igo, G Jacobs, WW Jang, H Judd, EG Kabana, S Kalinkin, D Kang, K Kauder, K Ke, HW Keane, D Kechechyan, A Kesich, A Khan, ZH Kikola, DP Kisel, I Kisiel, A Koetke, DD Kollegger, T Konzer, J Koralt, I Kotchenda, L Kraishan, AF Kravtsov, P Krueger, K Kulakov, I Kumar, L Kycia, RA Lamont, MAC Landgraf, JM Landry, KD Lauret, J Lebedev, A Lednicky, R Lee, JH LeVine, MJ Li, C Li, W Li, X Li, X Li, Y Li, ZM Lisa, MA Liu, F Ljubicic, T Llope, WJ Lomnitz, M Longacre, RS Luo, X Ma, GL Ma, YG Don, DMMDM Mahapatra, DP Majka, R Margetis, S Markert, C Masui, H Matis, HS McDonald, D McShane, TS Minaev, NG Mioduszewski, S Mohanty, B Mondal, MM Morozov, DA Mustafa, MK Nandi, BK Nasim, M Nayak, TK Nelson, JM Nigmatkulov, G Nogach, LV Noh, SY Novak, J Nurushev, SB Odyniec, G Ogawa, A Oh, K Ohlson, A Okorokov, V Oldag, EW Olvitt, DL Pachr, M Page, BS Pal, SK Pan, YX Pandit, Y Panebratsev, Y Pawlak, T Pawlik, B Pei, H Perkins, C Peryt, W Pile, P Planinic, M Pluta, J Poljak, N Porter, J Poskanzer, AM Pruthi, NK Przybycien, M Pujahari, PR Putschke, J Qiu, H Quintero, A Ramachandran, S Raniwala, R Raniwala, S Ray, RL Riley, CK Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Ross, JF Roy, A Ruan, L Rusnak, J Rusnakova, O Sahoo, NR Sahu, PK Sakrejda, I Salur, S Sandweiss, J Sangaline, E Sarkar, A Schambach, J Scharenberg, RP Schmah, AM Schmidke, WB Schmitz, N Seger, J Seyboth, P Shah, N Shahaliev, E Shanmuganathan, PV Shao, M Sharma, B Shen, WQ Shi, SS Shou, QY Sichtermann, EP Singaraju, RN Skoby, MJ Smirnov, D Smirnov, N Solanki, D Sorensen, P Spinka, HM Srivastava, B Stanislaus, TDS Stevens, JR Stock, R Strikhanov, M Stringfellow, B Sumbera, M Sun, X Sun, XM Sun, Y Sun, Z Surrow, B Svirida, DN Symons, TJM Szelezniak, MA Takahashi, J Tang, AH Tang, Z Tarnowsky, T Thomas, JH Timmins, AR Tlusty, D Tokarev, M Trentalange, S Tribble, RE Tribedy, P Trzeciak, BA Tsai, OD Turnau, J Ullrich, T Underwood, DG Van Buren, G van Nieuwenhuizen, G Vandenbroucke, M Vanfossen, JA Varma, R Vasconcelos, GMS Vasiliev, AN Vertesi, R Videbk, F Viyogi, YP Vokal, S Voloshin, SA Vossen, A Wada, M Wang, F Wang, G Wang, H Wang, JS Wang, XL Wang, Y Wang, Y Webb, G Webb, JC Westfall, GD Wieman, H Wissink, SW Witt, R Wu, YF Xiao, Z Xie, W Xin, K Xu, H Xu, J Xu, N Xu, QH Xu, Y Xu, Z Yan, W Yang, C Yang, Y Yang, Y Ye, Z Yepes, P Yi, L Yip, K Yoo, IK Yu, N Zawisza, Y Zbroszczyk, H Zha, W Zhang, JB Zhang, JL Zhang, S Zhang, XP Zhang, Y Zhang, ZP Zhao, F Zhao, J Zhong, C Zhu, X Zhu, YH Zoulkarneeva, Y Zyzak, M AF Adamczyk, L. Adkins, J. K. Agakishiev, G. Aggarwal, M. M. Ahammed, Z. Alekseev, I. Alford, J. Anson, C. D. Aparin, A. Arkhipkin, D. Aschenauer, E. C. Averichev, G. S. Banerjee, A. Beavis, D. R. Bellwied, R. Bhasin, A. Bhati, A. K. Bhattarai, P. Bichsel, H. Bielcik, J. Bielcikova, J. Bland, L. C. Bordyuzhin, I. G. Borowski, W. Bouchet, J. Brandin, A. V. Brovko, S. G. Bueltmann, S. Bunzarov, I. Burton, T. P. Butterworth, J. Caines, H. Sanchez, M. Calderon de la Barca Cebra, D. Cendejas, R. Cervantes, M. C. Chaloupka, P. Chang, Z. Chattopadhyay, S. Chen, H. F. Chen, J. H. Chen, L. Cheng, J. Cherney, M. Chikanian, A. Christie, W. Chwastowski, J. Codrington, M. J. M. Contin, G. Cramer, J. G. Crawford, H. J. Cui, X. Das, S. Leyva, A. Davila De Silva, L. C. Debbe, R. R. Dedovich, T. G. Deng, J. Derevschikov, A. A. Derradi De Souza, R. Dhamija, S. di Ruzza, B. Didenko, L. Dilks, C. Ding, F. Djawotho, P. Dong, X. Drachenberg, J. L. Draper, J. E. Du, C. M. Dunkelberger, L. E. Dunlop, J. C. Efimov, L. G. Engelage, J. Engle, K. S. Eppley, G. Eun, L. Evdokimov, O. Eyser, O. Fatemi, R. Fazio, S. Fedorisin, J. Filip, P. Finch, E. Fisyak, Y. Flores, C. E. Gagliardi, C. A. Gangadharan, D. R. Garand, D. Geurts, F. Gibson, A. Girard, M. Gliske, S. Greiner, L. Grosnick, D. Gunarathne, D. S. Guo, Y. Gupta, A. Gupta, S. Guryn, W. Haag, B. Hamed, A. Han, L. -X. Haque, R. Harris, J. W. Heppelmann, S. Hirsch, A. Hoffmann, G. W. Hofman, D. J. Horvat, S. Huang, B. Huang, H. Z. Huang, X. Huck, P. Humanic, T. J. Igo, G. Jacobs, W. W. Jang, H. Judd, E. G. Kabana, S. Kalinkin, D. Kang, K. Kauder, K. Ke, H. W. Keane, D. Kechechyan, A. Kesich, A. Khan, Z. H. Kikola, D. P. Kisel, I. Kisiel, A. Koetke, D. D. Kollegger, T. Konzer, J. Koralt, I. Kotchenda, L. Kraishan, A. F. Kravtsov, P. Krueger, K. Kulakov, I. Kumar, L. Kycia, R. A. Lamont, M. A. C. Landgraf, J. M. Landry, K. D. Lauret, J. Lebedev, A. Lednicky, R. Lee, J. H. LeVine, M. J. Li, C. Li, W. Li, X. Li, X. Li, Y. Li, Z. M. Lisa, M. A. Liu, F. Ljubicic, T. Llope, W. J. Lomnitz, M. Longacre, R. S. Luo, X. Ma, G. L. Ma, Y. G. Don, D. M. M. D. Madagodagettige Mahapatra, D. P. Majka, R. Margetis, S. Markert, C. Masui, H. Matis, H. S. McDonald, D. McShane, T. S. Minaev, N. G. Mioduszewski, S. Mohanty, B. Mondal, M. M. Morozov, D. A. Mustafa, M. K. Nandi, B. K. Nasim, Md. Nayak, T. K. Nelson, J. M. Nigmatkulov, G. Nogach, L. V. Noh, S. Y. Novak, J. Nurushev, S. B. Odyniec, G. Ogawa, A. Oh, K. Ohlson, A. Okorokov, V. Oldag, E. W. Olvitt, D. L., Jr. Pachr, M. Page, B. S. Pal, S. K. Pan, Y. X. Pandit, Y. Panebratsev, Y. Pawlak, T. Pawlik, B. Pei, H. Perkins, C. Peryt, W. Pile, P. Planinic, M. Pluta, J. Poljak, N. Porter, J. Poskanzer, A. M. Pruthi, N. K. Przybycien, M. Pujahari, P. R. Putschke, J. Qiu, H. Quintero, A. Ramachandran, S. Raniwala, R. Raniwala, S. Ray, R. L. Riley, C. K. Ritter, H. G. Roberts, J. B. Rogachevskiy, O. V. Romero, J. L. Ross, J. F. Roy, A. Ruan, L. Rusnak, J. Rusnakova, O. Sahoo, N. R. Sahu, P. K. Sakrejda, I. Salur, S. Sandweiss, J. Sangaline, E. Sarkar, A. Schambach, J. Scharenberg, R. P. Schmah, A. M. Schmidke, W. B. Schmitz, N. Seger, J. Seyboth, P. Shah, N. Shahaliev, E. Shanmuganathan, P. V. Shao, M. Sharma, B. Shen, W. Q. Shi, S. S. Shou, Q. Y. Sichtermann, E. P. Singaraju, R. N. Skoby, M. J. Smirnov, D. Smirnov, N. Solanki, D. Sorensen, P. Spinka, H. M. Srivastava, B. Stanislaus, T. D. S. Stevens, J. R. Stock, R. Strikhanov, M. Stringfellow, B. Sumbera, M. Sun, X. Sun, X. M. Sun, Y. Sun, Z. Surrow, B. Svirida, D. N. Symons, T. J. M. Szelezniak, M. A. Takahashi, J. Tang, A. H. Tang, Z. Tarnowsky, T. Thomas, J. H. Timmins, A. R. Tlusty, D. Tokarev, M. Trentalange, S. Tribble, R. E. Tribedy, P. Trzeciak, B. A. Tsai, O. D. Turnau, J. Ullrich, T. Underwood, D. G. Van Buren, G. van Nieuwenhuizen, G. Vandenbroucke, M. Vanfossen, J. A., Jr. Varma, R. Vasconcelos, G. M. S. Vasiliev, A. N. Vertesi, R. Videbk, F. Viyogi, Y. P. Vokal, S. Voloshin, S. A. Vossen, A. Wada, M. Wang, F. Wang, G. Wang, H. Wang, J. S. Wang, X. L. Wang, Y. Wang, Y. Webb, G. Webb, J. C. Westfall, G. D. Wieman, H. Wissink, S. W. Witt, R. Wu, Y. F. Xiao, Z. Xie, W. Xin, K. Xu, H. Xu, J. Xu, N. Xu, Q. H. Xu, Y. Xu, Z. Yan, W. Yang, C. Yang, Y. Yang, Y. Ye, Z. Yepes, P. Yi, L. Yip, K. Yoo, I. -K. Yu, N. Zawisza, Y. Zbroszczyk, H. Zha, W. Zhang, J. B. Zhang, J. L. Zhang, S. Zhang, X. P. Zhang, Y. Zhang, Z. P. Zhao, F. Zhao, J. Zhong, C. Zhu, X. Zhu, Y. H. Zoulkarneeva, Y. Zyzak, M. CA STAR Collaboration TI Beam-Energy Dependence of Charge Separation along the Magnetic Field in Au plus Au Collisions at RHIC SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-ION COLLISIONS; PARITY VIOLATION; HOT QCD AB Local parity-odd domains are theorized to form inside a quark-gluon plasma which has been produced in high-energy heavy-ion collisions. The local parity-odd domains manifest themselves as charge separation along the magnetic field axis via the chiral magnetic effect. The experimental observation of charge separation has previously been reported for heavy-ion collisions at the top RHIC energies. In this Letter, we present the results of the beam-energy dependence of the charge correlations in Au + Au collisions at midrapidity for center-of-mass energies of 7.7, 11.5, 19.6, 27, 39, and 62.4 GeV from the STAR experiment. After background subtraction, the signal gradually reduces with decreased beam energy and tends to vanish by 7.7 GeV. This implies the dominance of hadronic interactions over partonic ones at lower collision energies. C1 [Adamczyk, L.; Przybycien, M.] AGH Univ Sci & Technol, PL-30059 Krakow, Poland. [Gliske, S.; Krueger, K.; Spinka, H. M.; Underwood, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Nelson, J. M.] Univ Birmingham, Birmingham B15 2TT, W Midlands, England. [Arkhipkin, D.; Aschenauer, E. C.; Beavis, D. R.; Bland, L. C.; Burton, T. P.; Christie, W.; Debbe, R. R.; di Ruzza, B.; Didenko, L.; Dunlop, J. C.; Eyser, O.; Fazio, S.; Fisyak, Y.; Guryn, W.; Huang, B.; Ke, H. W.; Lamont, M. A. C.; Landgraf, J. M.; Lauret, J.; Lebedev, A.; Lee, J. H.; LeVine, M. J.; Ljubicic, T.; Longacre, R. S.; Ogawa, A.; Pile, P.; Ruan, L.; Schmidke, W. B.; Smirnov, D.; Sorensen, P.; Tang, A. H.; Ullrich, T.; Van Buren, G.; Videbk, F.; Wang, H.; Webb, J. C.; Xu, Z.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Crawford, H. J.; Engelage, J.; Judd, E. G.; Perkins, C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brovko, S. G.; Sanchez, M. Calderon de la Barca; Cebra, D.; Ding, F.; Draper, J. E.; Flores, C. E.; Haag, B.; Kesich, A.; Romero, J. L.; Sangaline, E.] Univ Calif Davis, Davis, CA 95616 USA. [Dunkelberger, L. E.; Huang, H. Z.; Igo, G.; Landry, K. D.; Pan, Y. X.; Shah, N.; Trentalange, S.; Tsai, O. D.; Wang, G.; Zhao, F.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Derradi De Souza, R.; Takahashi, J.; Vasconcelos, G. M. S.] Univ Estadual Campinas, BR-13131 Sao Paulo, Brazil. 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[Oh, K.; Yoo, I. -K.] Pusan Natl Univ, Pusan 609735, South Korea. [Raniwala, R.; Raniwala, S.; Solanki, D.] Univ Rajasthan, Jaipur 302004, Rajasthan, India. [Butterworth, J.; Eppley, G.; Geurts, F.; Llope, W. J.; Roberts, J. B.; Xin, K.; Yepes, P.] Rice Univ, Houston, TX 77251 USA. [Chen, H. F.; Cui, X.; Guo, Y.; Li, C.; Shao, M.; Sun, Y.; Tang, Z.; Wang, X. L.; Xu, Y.; Yang, C.; Zawisza, Y.; Zha, W.; Zhang, Y.; Zhang, Z. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Deng, J.; Xu, Q. H.; Zhang, J. L.] Shandong Univ, Jinan 250100, Shandong, Peoples R China. [Chen, J. H.; Han, L. -X.; Li, W.; Ma, G. L.; Ma, Y. G.; Shen, W. Q.; Shou, Q. Y.; Zhang, S.; Zhong, C.; Zhu, Y. H.] Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. [Borowski, W.; Kabana, S.] SUBATECH, F-44307 Nantes, France. [Gunarathne, D. S.; Kraishan, A. F.; Li, X.; Olvitt, D. L., Jr.; Surrow, B.; Vandenbroucke, M.] Temple Univ, Philadelphia, PA 19122 USA. [Cervantes, M. C.; Chang, Z.; Djawotho, P.; Gagliardi, C. A.; Hamed, A.; Mioduszewski, S.; Mondal, M. M.; Sahoo, N. R.; Tribble, R. E.] Texas A&M Univ, College Stn, TX 77843 USA. [Bhattarai, P.; Codrington, M. J. M.; Leyva, A. Davila; Hoffmann, G. W.; Markert, C.; Oldag, E. W.; Ray, R. L.; Schambach, J.; Wada, M.] Univ Texas Austin, Austin, TX 78712 USA. [Bellwied, R.; McDonald, D.; Timmins, A. R.] Univ Houston, Houston, TX 77204 USA. [Cheng, J.; Huang, X.; Kang, K.; Li, Y.; Wang, Y.; Xiao, Z.; Yan, W.; Zhang, X. P.; Zhu, X.] Tsinghua Univ, Beijing 100084, Peoples R China. [Engle, K. S.; Witt, R.] US Naval Acad, Annapolis, MD 21402 USA. [Drachenberg, J. L.; Gibson, A.; Grosnick, D.; Koetke, D. D.; Stanislaus, T. D. S.] Valparaiso Univ, Valparaiso, IN 46383 USA. [Ahammed, Z.; Banerjee, A.; Chattopadhyay, S.; Nayak, T. K.; Pal, S. K.; Roy, A.; Singaraju, R. N.; Tribedy, P.; Viyogi, Y. P.] Variable Energy Cyclotron Ctr, Kolkata 700064, W Bengal, India. [Girard, M.; Kikola, D. P.; Kisiel, A.; Pawlak, T.; Peryt, W.; Pluta, J.; Zbroszczyk, H.] Warsaw Univ Technol, PL-00661 Warsaw, Poland. [Bichsel, H.; Cramer, J. G.] Univ Washington, Seattle, WA 98195 USA. [Putschke, J.; Voloshin, S. A.] Wayne State Univ, Detroit, MI 48201 USA. [Caines, H.; Chikanian, A.; Finch, E.; Harris, J. W.; Horvat, S.; Majka, R.; Ohlson, A.; Riley, C. K.; Sandweiss, J.; Smirnov, N.] Yale Univ, New Haven, CT 06520 USA. [Planinic, M.; Poljak, N.] Univ Zagreb, HR-10002 Zagreb, Croatia. RP Adamczyk, L (reprint author), AGH Univ Sci & Technol, PL-30059 Krakow, Poland. RI Yi, Li/Q-1705-2016; Alekseev, Igor/J-8070-2014; Svirida, Dmitry/R-4909-2016; Inst. of Physics, Gleb Wataghin/A-9780-2017; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013; Gunarathne, Devika/C-4903-2017; Derradi de Souza, Rafael/M-4791-2013; Fazio, Salvatore /G-5156-2010; Sumbera, Michal/O-7497-2014; Xin, Kefeng/O-9195-2016; Strikhanov, Mikhail/P-7393-2014; Takahashi, Jun/B-2946-2012; Rusnak, Jan/G-8462-2014; Bielcikova, Jana/G-9342-2014; XIAO, Zhigang/C-3788-2015; Kumar, Lokesh/A-6154-2010; Kycia, Radoslaw/J-4397-2015; Chaloupka, Petr/E-5965-2012; Huang, Bingchu/H-6343-2015 OI Yi, Li/0000-0002-7512-2657; Alekseev, Igor/0000-0003-3358-9635; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900; Gunarathne, Devika/0000-0002-7155-7418; Sorensen, Paul/0000-0001-5056-9391; Thomas, James/0000-0002-6256-4536; Derradi de Souza, Rafael/0000-0002-2084-7001; Sumbera, Michal/0000-0002-0639-7323; Xin, Kefeng/0000-0003-4853-9219; Strikhanov, Mikhail/0000-0003-2586-0405; Takahashi, Jun/0000-0002-4091-1779; Kumar, Lokesh/0000-0002-2746-9840; Kycia, Radoslaw/0000-0002-6390-4627; Huang, Bingchu/0000-0002-3253-3210 FU RHIC Operations Group; RCF at BNL; NERSC Center at LBNL; KISTI Center in Korea; Open Science Grid consortium; Office of NP; Office of HEP within the U.S. DOE, Office of Science; U.S. NSF; CNRS/IN2P3; FAPESP CNPq of Brazil; Ministry of Education and Science of the Russian Federation; NNSFC of China; CAS of China; MoST of China; MoE of China; Korean Research Foundation; GA of the Czech Republic; MSMT of the Czech Republic; FIAS of Germany; DAE of India; DST of India; CSIR of India; National Science Centre of Poland; National Research Foundation [NRF-2012004024]; Ministry of Science, Education and Sports of the Republic of Croatia; RosAtom of Russia FX We thank the RHIC Operations Group and RCF at BNL, the NERSC Center at LBNL, the KISTI Center in Korea, and the Open Science Grid consortium for providing resources and support. This work was supported in part by the Offices of NP and HEP within the U.S. DOE, Office of Science; the U.S. NSF; CNRS/IN2P3; FAPESP CNPq of Brazil; the Ministry of Education and Science of the Russian Federation; NNSFC, CAS, MoST, and MoE of China; the Korean Research Foundation; GA and MSMT of the Czech Republic; FIAS of Germany; DAE, DST, and CSIR of India; the National Science Centre of Poland; the National Research Foundation (NRF-2012004024); the Ministry of Science, Education and Sports of the Republic of Croatia; and RosAtom of Russia. NR 35 TC 40 Z9 40 U1 2 U2 46 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 30 PY 2014 VL 113 IS 5 AR 052302 DI 10.1103/PhysRevLett.113.052302 PG 7 WC Physics, Multidisciplinary SC Physics GA AM6JD UT WOS:000339969600004 PM 25126911 ER PT J AU Abe, Y dos Anjos, JC Barriere, JC Baussan, E Bekman, I Bergevin, M Bezerra, TJC Bezrukov, L Blucher, E Buck, C Busenitz, J Cabrera, A Caden, E Camilleri, L Carr, R Cerrada, M Chang, PJ Chauveau, E Chimenti, P Collin, AP Conover, E Conrad, JM Crespo-Anadon, JI Crum, K Cucoanes, A Damon, E Dawson, JV Dietrich, D Djurcic, Z Dracos, M Elnimr, M Etenko, A Fallot, M von Feilitzsch, F Felde, J Fernandes, SM Fischer, V Franco, D Franke, M Furuta, H Gil-Botella, I Giot, L Goger-Neff, M Gonzalez, LFG Goodenough, L Goodman, MC Grant, C Haag, N Hara, T Haser, J Hofmann, M Horton-Smith, GA Hourlier, A Ishitsuka, M Jochum, J Jollet, C Kaether, F Kalousis, LN Kamyshkov, Y Kaplan, DM Kawasaki, T Kemp, E de Kerret, H Konno, T Kryn, D Kuze, M Lachenmaier, T Lane, CE Lasserre, T Letourneau, A Lhuillier, D Lima, HP Lindner, M Lopez-Castano, JM LoSecco, JM Lubsandorzhiev, BK Lucht, S Maeda, J Mariani, C Maricic, J Martino, J Matsubara, T Mention, G Meregaglia, A Miletic, T Milincic, R Minotti, A Nagasaka, Y Nakajima, K Nikitenko, Y Novella, P Obolensky, M Oberauer, L Onillon, A Osborn, A Palomares, C Pepe, IM Perasso, S Pfahler, P Porta, A Pronost, G Reichenbacher, J Reinhold, B Rohling, M Roncin, R Roth, S Rybolt, B Sakamoto, Y Santorelli, R Sato, F Schilithz, AC Schonert, S Schoppmann, S Shaevitz, MH Sharankova, R Shimojima, S Sibille, V Sinev, V Skorokhvatov, M Smith, E Spitz, J Stahl, A Stancu, I Stokes, LFF Strait, M Stuken, A Suekane, F Sukhotin, S Sumiyoshi, T Sun, Y Svoboda, R Terao, K Tonazzo, A Thi, HHT Valdiviesso, G Vassilopoulos, N Veyssiere, C Vivier, M Wagner, S Watanabe, H Wiebusch, C Winslow, L Wurm, M Yang, G Yermia, F Zimmer, V AF Abe, Y. dos Anjos, J. C. Barriere, J. C. Baussan, E. Bekman, I. Bergevin, M. Bezerra, T. J. C. Bezrukov, L. Blucher, E. Buck, C. Busenitz, J. Cabrera, A. Caden, E. Camilleri, L. Carr, R. Cerrada, M. Chang, P. -J. Chauveau, E. Chimenti, P. Collin, A. P. Conover, E. Conrad, J. M. Crespo-Anadon, J. I. Crum, K. Cucoanes, A. Damon, E. Dawson, J. V. Dietrich, D. Djurcic, Z. Dracos, M. Elnimr, M. Etenko, A. Fallot, M. von Feilitzsch, F. Felde, J. Fernandes, S. M. Fischer, V. Franco, D. Franke, M. Furuta, H. Gil-Botella, I. Giot, L. Goeger-Neff, M. Gonzalez, L. F. G. Goodenough, L. Goodman, M. C. Grant, C. Haag, N. Hara, T. Haser, J. Hofmann, M. Horton-Smith, G. A. Hourlier, A. Ishitsuka, M. Jochum, J. Jollet, C. Kaether, F. Kalousis, L. N. Kamyshkov, Y. Kaplan, D. M. Kawasaki, T. Kemp, E. de Kerret, H. Konno, T. Kryn, D. Kuze, M. Lachenmaier, T. Lane, C. E. Lasserre, T. Letourneau, A. Lhuillier, D. Lima, H. P., Jr. Lindner, M. Lopez-Castano, J. M. LoSecco, J. M. Lubsandorzhiev, B. K. Lucht, S. Maeda, J. Mariani, C. Maricic, J. Martino, J. Matsubara, T. Mention, G. Meregaglia, A. Miletic, T. Milincic, R. Minotti, A. Nagasaka, Y. Nakajima, K. Nikitenko, Y. Novella, P. Obolensky, M. Oberauer, L. Onillon, A. Osborn, A. Palomares, C. Pepe, I. M. Perasso, S. Pfahler, P. Porta, A. Pronost, G. Reichenbacher, J. Reinhold, B. Roehling, M. Roncin, R. Roth, S. Rybolt, B. Sakamoto, Y. Santorelli, R. Sato, F. Schilithz, A. C. Schoenert, S. Schoppmann, S. Shaevitz, M. H. Sharankova, R. Shimojima, S. Sibille, V. Sinev, V. Skorokhvatov, M. Smith, E. Spitz, J. Stahl, A. Stancu, I. Stokes, L. F. F. Strait, M. Stueken, A. Suekane, F. Sukhotin, S. Sumiyoshi, T. Sun, Y. Svoboda, R. Terao, K. Tonazzo, A. Thi, H. H. Trinh Valdiviesso, G. Vassilopoulos, N. Veyssiere, C. Vivier, M. Wagner, S. Watanabe, H. Wiebusch, C. Winslow, L. Wurm, M. Yang, G. Yermia, F. Zimmer, V. TI Background-independent measurement of theta(13) in Double Chooz SO PHYSICS LETTERS B LA English DT Article AB The oscillation results published by the Double Chooz Collaboration in 2011 and 2012 rely on background models substantiated by reactor-on data. In this analysis, we present a background-model-independent measurement of the mixing angle theta(13) by including 7.53 days of reactor-off data. A global fit of the observed antineutrino rates for different reactor power conditions is performed, yielding a measurement of both theta(13) and the total background rate. The results on the mixing angle are improved significantly by including the reactor-off data in the fit, as it provides a direct measurement of the total background rate. This reactor rate modulation analysis considers antineutrino candidates with neutron captures on both Gd and H, whose combination yields sin(2)(2 theta(13)) = 0.102 +/- 0.028(stat.) +/- 0.033(syst.). The results presented in this study are fully consistent with the ones already published by Double Chooz, achieving a competitive precision. They provide, for the first time, a determination of theta(13) that does not depend on a background model. (C) 2014 The Authors. Published by Elsevier B.V. C1 [Bekman, I.; Lucht, S.; Nagasaka, Y.; Roth, S.; Schoppmann, S.; Stahl, A.; Stueken, A.; Wiebusch, C.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Busenitz, J.; Elnimr, M.; Fernandes, S. M.; Reichenbacher, J.; Stancu, I.; Sun, Y.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Djurcic, Z.; Goodenough, L.; Goodman, M. C.; Yang, G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Cabrera, A.; Dawson, J. V.; Franco, D.; Hourlier, A.; de Kerret, H.; Kryn, D.; Lasserre, T.; Novella, P.; Obolensky, M.; Perasso, S.; Roncin, R.; Tonazzo, A.] Univ Paris Diderot, Observ Paris, Sorbonne Paris Cite, APC,CNRS IN2P3,CEA IRFU, F-75205 Paris 13, France. [dos Anjos, J. C.; Lima, H. P., Jr.; Pepe, I. M.; Schilithz, A. C.; Valdiviesso, G.] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, RJ, Brazil. [Blucher, E.; Conover, E.; Conrad, J. M.; Crum, K.; Strait, M.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Cerrada, M.; Crespo-Anadon, J. I.; Gil-Botella, I.; Lopez-Castano, J. M.; Palomares, C.; Santorelli, R.] CIEMAT, Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. [Camilleri, L.; Carr, R.; Shaevitz, M. H.] Columbia Univ, New York, NY 10027 USA. [Bergevin, M.; Felde, J.; Grant, C.; Svoboda, R.] Univ Calif Davis, Davis, CA 95616 USA. [Caden, E.; Damon, E.; Lane, C. E.; Maricic, J.; Miletic, T.; Milincic, R.; Smith, E.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Nagasaka, Y.] Hiroshima Inst Technol, Hiroshima 7315193, Japan. [Kaplan, D. M.] IIT, Dept Phys, Chicago, IL 60616 USA. [Bezrukov, L.; Lubsandorzhiev, B. K.; Nikitenko, Y.; Sibille, V.; Sinev, V.] Russian Acad Sci, Inst Nucl Res, Moscow 117901, Russia. [Barriere, J. C.; Collin, A. P.; Fischer, V.; Lasserre, T.; Letourneau, A.; Lhuillier, D.; Mention, G.; Sinev, V.; Veyssiere, C.; Vivier, M.] Ctr Saclay, IRFU, Commissariat Energie Atom & Energies Alternat, F-91191 Gif Sur Yvette, France. [Chang, P. -J.; Horton-Smith, G. A.] Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. [Hara, T.] Kobe Univ, Dept Phys, Kobe, Hyogo 6578501, Japan. [Etenko, A.; Skorokhvatov, M.; Sukhotin, S.] NRC Kurchatov Inst, Moscow 123182, Russia. [Spitz, J.; Terao, K.; Winslow, L.] MIT, Cambridge, MA 02139 USA. [Buck, C.; Haser, J.; Kaether, F.; Lindner, M.; Reinhold, B.; Wagner, S.; Watanabe, H.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Kawasaki, T.; Nakajima, K.] Niigata Univ, Dept Phys, Niigata 9502181, Japan. [LoSecco, J. M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Baussan, E.; Dracos, M.; Jollet, C.; Meregaglia, A.; Minotti, A.; Vassilopoulos, N.] Univ Strasbourg, CNRS, IN2P3, IPHC, F-67037 Strasbourg, France. [Cucoanes, A.; Fallot, M.; Giot, L.; Martino, J.; Onillon, A.; Porta, A.; Pronost, G.; Yermia, F.] Univ Nantes, CNRS IN2P3, SUBATECH, Ecole Mines Nantes, F-44307 Nantes, France. [von Feilitzsch, F.; Franke, M.; Goeger-Neff, M.; Haag, N.; Hofmann, M.; Oberauer, L.; Pfahler, P.; Schoenert, S.; Thi, H. H. Trinh; Zimmer, V.] Tech Univ Munich, Dept Phys, D-85747 Garching, Germany. [Kamyshkov, Y.; Osborn, A.; Rybolt, B.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Bezerra, T. J. C.; Chauveau, E.; Furuta, H.; Suekane, F.] Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. [Sakamoto, Y.] Tohoku Gakuin Univ, Sendai, Miyagi 9813193, Japan. [Abe, Y.; Ishitsuka, M.; Konno, T.; Kuze, M.; Sharankova, R.] Tokyo Inst Technol, Dept Phys, Tokyo 1528551, Japan. [Maeda, J.; Matsubara, T.; Sato, F.; Shimojima, S.; Sumiyoshi, T.] Tokyo Metropolitan Univ, Dept Phys, Tokyo 1920397, Japan. [Dietrich, D.; Jochum, J.; Lachenmaier, T.; Roehling, M.; Stokes, L. F. F.; Wurm, M.] Univ Tubingen, Kepler Ctr Astro & Particle Phys, D-72076 Tubingen, Germany. [Chimenti, P.] Univ Fed ABC, UFABC, Santo Andre, SP, Brazil. [Gonzalez, L. F. G.; Kemp, E.] Univ Estadual Campinas, UNICAMP, Campinas, SP, Brazil. [Kalousis, L. N.; Mariani, C.] Virginia Tech, Ctr Neutrino Phys, Blacksburg, VA USA. [Dawson, J. V.; de Kerret, H.] Lab Neutrino Champagne Ardenne, F-08600 Rancennes, France. RP Abe, Y (reprint author), Tokyo Inst Technol, Dept Phys, Tokyo 1528551, Japan. RI Novella, Pau/K-2845-2014; Cerrada, Marcos/J-6934-2014; Valdiviesso, Gustavo/G-3404-2011; Junqueira de Castro Bezerra, Thiago/F-1610-2013; Stahl, Achim/E-8846-2011; Gil Botella, Ines/H-8991-2015; Mariani, Camillo/J-6070-2015; Bezrukov, Leonid/M-5654-2013; Schoppmann, Stefan/M-3057-2015; Palomares, Carmen/H-7783-2015; Roth, Stefan/J-2757-2016; Kamyshkov, Yuri/J-7999-2016; Chimenti, Pietro/F-9898-2012; Skorokhvatov, Mikhail/R-9735-2016; Wiebusch, Christopher/G-6490-2012; Inst. of Physics, Gleb Wataghin/A-9780-2017; Horton-Smith, Glenn/A-4409-2011; Santorelli, Roberto/L-6017-2015; OI Novella, Pau/0000-0002-0923-3172; Cerrada, Marcos/0000-0003-0112-1691; Valdiviesso, Gustavo/0000-0002-0381-3619; Junqueira de Castro Bezerra, Thiago/0000-0002-0424-7903; Stahl, Achim/0000-0002-8369-7506; Mariani, Camillo/0000-0003-3284-4681; Schoppmann, Stefan/0000-0002-7208-0578; Palomares, Carmen/0000-0003-4374-9065; Roth, Stefan/0000-0003-3616-2223; Kamyshkov, Yuri/0000-0002-3789-7152; Chimenti, Pietro/0000-0002-9755-5066; Wiebusch, Christopher/0000-0002-6418-3008; Horton-Smith, Glenn/0000-0001-9677-9167; Santorelli, Roberto/0000-0002-0012-2644; Spitz, Joshua/0000-0002-6288-7028; Lindner, Manfred/0000-0002-3704-6016 FU CEA; CNRS/IN2P3; computer center CCIN2P3; LabEx UnivEarthS in France; Ministry of Education, Culture, Sports, Science, and Technology of Japan (MEXT); Japan Society for the Promotion of Science (JSPS); Department of Energy and the National Science Foundation of the United States; Ministerio de Ciencia e Innovacion (MICINN) of Spain; Max Planck Gesellschaft; Deutsche Forschungsgemeinschaft DFG [SBH WI 2152]; Transregional Collaborative Research Center TR27; excellence cluster "Origin and Structure of the Universe"; Maier-Leibnitz-Laboratorium Garching in Germany; Russian Academy of Sciences; Kurchatov Institute; RFBR (the Russian Foundation for Basic Research); Brazilian Ministry of Science, Technology and Innovation (MCTI); Financiadora de Estudos e Projetos (FINEP); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Sao Paulo Research Foundation (FAPESP); Brazilian Network for High Energy Physics (RENAFAE) in Brazil FX We thank the French electricity company EDF; the European fund FEDER; the Region de Champagne Ardenne; the Departement des Ardennes; and the Communaute des Communes Ardennes Rives de Meuse. We acknowledge the support of the CEA, CNRS/IN2P3, the computer center CCIN2P3, and LabEx UnivEarthS in France; the Ministry of Education, Culture, Sports, Science, and Technology of Japan (MEXT) and the Japan Society for the Promotion of Science (JSPS); the Department of Energy and the National Science Foundation of the United States; the Ministerio de Ciencia e Innovacion (MICINN) of Spain; the Max Planck Gesellschaft, and the Deutsche Forschungsgemeinschaft DFG (SBH WI 2152), the Transregional Collaborative Research Center TR27, the excellence cluster "Origin and Structure of the Universe", and the Maier-Leibnitz-Laboratorium Garching in Germany; the Russian Academy of Sciences, the Kurchatov Institute and RFBR (the Russian Foundation for Basic Research); the Brazilian Ministry of Science, Technology and Innovation (MCTI), the Financiadora de Estudos e Projetos (FINEP), the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), the Sao Paulo Research Foundation (FAPESP), and the Brazilian Network for High Energy Physics (RENAFAE) in Brazil. NR 7 TC 27 Z9 27 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD JUL 30 PY 2014 VL 735 BP 51 EP 56 DI 10.1016/j.physletb.2014.04.045 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM7LO UT WOS:000340048900008 ER PT J AU Adamczyk, L Adkins, JK Agakishiev, G Aggarwal, MM Ahammed, Z Alekseev, I Alford, J Anson, CD Aparin, A Arkhipkin, D Aschenauer, EC Averichev, GS Balewski, J Banerjee, A Barnovska, Z Beavis, DR Bellwied, R Bhasin, A Bhati, AK Bhattarai, P Bichsel, H Bielcik, J Bielcikova, J Bland, LC Bordyuzhin, IG Borowski, W Bouchet, J Brandin, AV Brovko, SG Bultmann, S Bunzarov, I Burton, TP Butterworth, J Caines, H Sanchez, MCD Cebra, D Cendejas, R Cervantes, MC Chaloupka, P Chang, Z Chattopadhyay, S Chen, HF Chen, JH Chen, L Cheng, J Cherney, M Chikanian, A Christie, W Chwastowski, J Codrington, MJM Corliss, R Cramer, JG Crawford, HJ Cui, X Das, S Leyva, AD De Silva, LC Debbe, RR Dedovich, TG Deng, J Derevschikov, AA de Souza, RD Dhamija, S di Ruzza, B Didenko, L Dilks, C Ding, F Djawotho, P Dong, X Drachenberg, JL Draper, JE Du, CM Dunkelberger, LE Dunlop, JC Efimov, LG Engelage, J Engle, KS Eppley, G Eun, L Evdokimov, O Fatemi, R Fazio, S Fedorisin, J Filip, P Finch, E Fisyak, Y Flores, CE Gagliardi, CA Gangadharan, DR Garand, D Geurts, F Gibson, A Girard, M Gliske, S Grosnick, D Guo, Y Gupta, A Gupta, S Guryn, W Haag, B Hajkova, O Hamed, A Han, LX Haque, R Harris, JW Hays-Wehle, JP Heppelmann, S Hill, K Hirsch, A Hoffmann, GW Hofman, DJ Horvat, S Huang, B Huang, HZ Huck, P Humanic, TJ Igo, G Jacobs, WW Jang, H Judd, EG Kabana, S Kalinkin, D Kang, K Kauder, K Ke, HW Keane, D Kechechyan, A Kesich, A Khan, ZH Kikola, DP Kisel, I Kisiel, A Koetke, DD Kollegger, T Konzer, J Koralt, I Korsch, W Kotchenda, L Kravtsov, P Krueger, K Kulakov, I Kumar, L Kycia, RA Lamont, MAC Landgraf, JM Landry, KD Lauret, J Lebedev, A Lednicky, R Lee, JH Leight, W LeVine, MJ Li, C Li, W Li, X Li, X Li, Y Li, ZM Lima, LM Lisa, MA Liu, F Ljubicic, T Llope, WJ Longacre, RS Luo, X Ma, GL Ma, YG Don, DMMDM Mahapatra, DP Majka, R Margetis, S Markert, C Masui, H Matis, HS McDonald, D McShane, TS Minaev, NG Mioduszewski, S Mohanty, B Mondal, MM Morozov, DA Munhoz, MG Mustafa, MK Nandi, BK Nasim, M Nayak, TK Nelson, JM Nogach, LV Noh, SY Novak, J Nurushev, SB Odyniec, G Ogawa, A Oh, K Ohlson, A Okorokov, V Oldag, EW Oliveira, RAN Pachr, M Page, BS Pal, SK Pan, YX Pandit, Y Panebratsev, Y Pawlak, T Pawlik, B Pei, H Perkins, C Peryt, W Peterson, A Pile, P Planinic, M Pluta, J Plyku, D Poljak, N Porter, J Poskanzer, AM Pruthi, NK Przybycien, M Pujahari, PR Qiu, H Quintero, A Ramachandran, S Raniwala, R Raniwala, S Ray, RL Riley, CK Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Ross, JF Roy, A Ruan, L Rusnak, J Sahoo, NR Sahu, PK Sakrejda, I Salur, S Sandacz, A Sandweiss, J Sangaline, E Sarkar, A Schambach, J Scharenberg, RP Schmah, AM Schmidke, WB Schmitz, N Seger, J Seyboth, P Shah, N Shahaliev, E Shanmuganathan, PV Shao, M Sharma, B Shen, WQ Shi, SS Shou, QY Sichtermann, EP Singaraju, RN Skoby, MJ Smirnov, D Smirnov, N Solanki, D Sorensen, P Desouza, UG Spinka, HM Srivastava, B Stanislaus, TDS Stevens, JR Stock, R Strikhanov, M Stringfellow, B Suaide, AAP Sumbera, M Sun, X Sun, XM Sun, Y Sun, Z Surrow, B Svirida, DN Symons, TJM de Toledo, AS Takahashi, J Tang, AH Tang, Z Tarnowsky, T Thomas, JH Timmins, AR Tlusty, D Tokarev, M Trentalange, S Tribble, RE Tribedy, P Trzeciak, BA Tsai, OD Turnau, J Ullrich, T Underwood, DG Van Buren, G van Nieuwenhuizen, G Vanfossen, JA Varma, R Vasconcelos, GMS Vasiliev, AN Vertesi, R Videbaek, F Viyogi, YP Vokal, S Vossen, A Wada, M Walker, M Wang, F Wang, G Wang, H Wang, JS Wang, XL Wang, Y Wang, Y Webb, G Webb, JC Westfall, GD Wieman, H Wimsatt, G Wissink, SW Witt, R Wu, YF Xiao, Z Xie, W Xin, K Xu, H Xu, N Xu, QH Xu, Y Xu, Z Yan, W Yang, C Yang, Y Yang, Y Ye, Z Yepes, P Yi, L Yip, K Yoo, IK Zawisza, Y Zbroszczyk, H Zha, W Zhang, JB Zhang, JL Zhang, S Zhang, XP Zhang, Y Zhang, ZP Zhao, F Zhao, J Zhong, C Zhu, X Zhu, YH Zoulkarneeva, Y Zyzak, M AF Adamczyk, L. Adkins, J. K. Agakishiev, G. Aggarwal, M. M. Ahammed, Z. Alekseev, I. Alford, J. Anson, C. D. Aparin, A. Arkhipkin, D. Aschenauer, E. C. Averichev, G. S. Balewski, J. Banerjee, A. Barnovska, Z. Beavis, D. R. Bellwied, R. Bhasin, A. Bhati, A. K. Bhattarai, P. Bichsel, H. Bielcik, J. Bielcikova, J. Bland, L. C. Bordyuzhin, I. G. Borowski, W. Bouchet, J. Brandin, A. V. Brovko, S. G. Bueltmann, S. Bunzarov, I. Burton, T. P. Butterworth, J. Caines, H. Sanchez, M. Calderon de la Barca Cebra, D. Cendejas, R. Cervantes, M. C. Chaloupka, P. Chang, Z. Chattopadhyay, S. Chen, H. F. Chen, J. H. Chen, L. Cheng, J. Cherney, M. Chikanian, A. Christie, W. Chwastowski, J. Codrington, M. J. M. Corliss, R. Cramer, J. G. Crawford, H. J. Cui, X. Das, S. Leyva, A. Davila De Silva, L. C. Debbe, R. R. Dedovich, T. G. Deng, J. Derevschikov, A. A. de Souza, R. Derradi Dhamija, S. di Ruzza, B. Didenko, L. Dilks, C. Ding, F. Djawotho, P. Dong, X. Drachenberg, J. L. Draper, J. E. Du, C. M. Dunkelberger, L. E. Dunlop, J. C. Efimov, L. G. Engelage, J. Engle, K. S. Eppley, G. Eun, L. Evdokimov, O. Fatemi, R. Fazio, S. Fedorisin, J. Filip, P. Finch, E. Fisyak, Y. Flores, C. E. Gagliardi, C. A. Gangadharan, D. R. Garand, D. Geurts, F. Gibson, A. Girard, M. Gliske, S. Grosnick, D. Guo, Y. Gupta, A. Gupta, S. Guryn, W. Haag, B. Hajkova, O. Hamed, A. Han, L. -X. Haque, R. Harris, J. W. Hays-Wehle, J. P. Heppelmann, S. Hill, K. Hirsch, A. Hoffmann, G. W. Hofman, D. J. Horvat, S. Huang, B. Huang, H. Z. Huck, P. Humanic, T. J. Igo, G. Jacobs, W. W. Jang, H. Judd, E. G. Kabana, S. Kalinkin, D. Kang, K. Kauder, K. Ke, H. W. Keane, D. Kechechyan, A. Kesich, A. Khan, Z. H. Kikola, D. P. Kisel, I. Kisiel, A. Koetke, D. D. Kollegger, T. Konzer, J. Koralt, I. Korsch, W. Kotchenda, L. Kravtsov, P. Krueger, K. Kulakov, I. Kumar, L. Kycia, R. A. Lamont, M. A. C. Landgraf, J. M. Landry, K. D. Lauret, J. Lebedev, A. Lednicky, R. Lee, J. H. Leight, W. LeVine, M. J. Li, C. Li, W. Li, X. Li, X. Li, Y. Li, Z. M. Lima, L. M. Lisa, M. A. Liu, F. Ljubicic, T. Llope, W. J. Longacre, R. S. Luo, X. Ma, G. L. Ma, Y. G. Don, D. M. M. D. Madagodagettige Mahapatra, D. P. Majka, R. Margetis, S. Markert, C. Masui, H. Matis, H. S. McDonald, D. McShane, T. S. Minaev, N. G. Mioduszewski, S. Mohanty, B. Mondal, M. M. Morozov, D. A. Munhoz, M. G. Mustafa, M. K. Nandi, B. K. Nasim, Md. Nayak, T. K. Nelson, J. M. Nogach, L. V. Noh, S. Y. Novak, J. Nurushev, S. B. Odyniec, G. Ogawa, A. Oh, K. Ohlson, A. Okorokov, V. Oldag, E. W. Oliveira, R. A. N. Pachr, M. Page, B. S. Pal, S. K. Pan, Y. X. Pandit, Y. Panebratsev, Y. Pawlak, T. Pawlik, B. Pei, H. Perkins, C. Peryt, W. Peterson, A. Pile, P. Planinic, M. Pluta, J. Plyku, D. Poljak, N. Porter, J. Poskanzer, A. M. Pruthi, N. K. Przybycien, M. Pujahari, P. R. Qiu, H. Quintero, A. Ramachandran, S. Raniwala, R. Raniwala, S. Ray, R. L. Riley, C. K. Ritter, H. G. Roberts, J. B. Rogachevskiy, O. V. Romero, J. L. Ross, J. F. Roy, A. Ruan, L. Rusnak, J. Sahoo, N. R. Sahu, P. K. Sakrejda, I. Salur, S. Sandacz, A. Sandweiss, J. Sangaline, E. Sarkar, A. Schambach, J. Scharenberg, R. P. Schmah, A. M. Schmidke, W. B. Schmitz, N. Seger, J. Seyboth, P. Shah, N. Shahaliev, E. Shanmuganathan, P. V. Shao, M. Sharma, B. Shen, W. Q. Shi, S. S. Shou, Q. Y. Sichtermann, E. P. Singaraju, R. N. Skoby, M. J. Smirnov, D. Smirnov, N. Solanki, D. Sorensen, P. Desouza, U. G. Spinka, H. M. Srivastava, B. Stanislaus, T. D. S. Stevens, J. R. Stock, R. Strikhanov, M. Stringfellow, B. Suaide, A. A. P. Sumbera, M. Sun, X. Sun, X. M. Sun, Y. Sun, Z. Surrow, B. Svirida, D. N. Symons, T. J. M. de Toledo, A. Szanto Takahashi, J. Tang, A. H. Tang, Z. Tarnowsky, T. Thomas, J. H. Timmins, A. R. Tlusty, D. Tokarev, M. Trentalange, S. Tribble, R. E. Tribedy, P. Trzeciak, B. A. Tsai, O. D. Turnau, J. Ullrich, T. Underwood, D. G. Van Buren, G. van Nieuwenhuizen, G. Vanfossen, J. A., Jr. Varma, R. Vasconcelos, G. M. S. Vasiliev, A. N. Vertesi, R. Videbaek, F. Viyogi, Y. P. Vokal, S. Vossen, A. Wada, M. Walker, M. Wang, F. Wang, G. Wang, H. Wang, J. S. Wang, X. L. Wang, Y. Wang, Y. Webb, G. Webb, J. C. Westfall, G. D. Wieman, H. Wimsatt, G. Wissink, S. W. Witt, R. Wu, Y. F. Xiao, Z. Xie, W. Xin, K. Xu, H. Xu, N. Xu, Q. H. Xu, Y. Xu, Z. Yan, W. Yang, C. Yang, Y. Yang, Y. Ye, Z. Yepes, P. Yi, L. Yip, K. Yoo, I. -K. Zawisza, Y. Zbroszczyk, H. Zha, W. Zhang, J. B. Zhang, J. L. Zhang, S. Zhang, X. P. Zhang, Y. Zhang, Z. P. Zhao, F. Zhao, J. Zhong, C. Zhu, X. Zhu, Y. H. Zoulkarneeva, Y. Zyzak, M. CA Star Collaboration TI Suppression of Upsilon production in d plus Au and Au plus Au collisions at root S-NN=200 GeV SO PHYSICS LETTERS B LA English DT Article DE Upsilon suppression; Quarkonium in-medium; Relativistic heavy-ion collisions; STAR ID HEAVY-ION COLLISIONS; NUCLEUS COLLISIONS; J/PSI; ABSORPTION; LHC AB We report measurements of Upsilon meson production in p + p, d + Au, and Au + Au collisions using the STAR detector at RHIC. We compare the Upsilon yield to the measured cross section in p + p collisions in order to quantify any modifications of the yield in cold nuclear matter using d + Au data and in hot nuclear matter using Au + Au data separated into three centrality classes. Our p + p measurement is based on three times the statistics of our previous result. We obtain a nuclear modification factor for Upsilon (1S + 2S + 3S) in the rapidity range vertical bar y vertical bar < 1 in d + Au collisions of R-dAu = 0.79 +/- 0.24(stat.) +/- 0.03(syst.) +/- 0.10(p + p syst.). A comparison with models including shadowing and initial state parton energy loss indicates the presence of additional cold-nuclear matter suppression. Similarly, in the top 10% most-central Au + Au collisions, we measure a nuclear modification factor of R-AA = 0.49 +/- 0.1(stat.) +/- 0.02(syst.) +/- 0.06(p + p syst.), which is a larger suppression factor than that seen in cold nuclear matter. Our results are consistent with complete suppression of excited-state Upsilon mesons in Au + Au collisions. The additional suppression in Au + Au is consistent with the level expected in model calculations that include the presence of a hot, deconfined Quark-Gluon Plasma. However, understanding the suppression seen in d + Au is still needed before any definitive statements about the nature of the suppression in Au + Au can be made. (C) 2014 The Authors. Published by Elsevier B.V. C1 [Adamczyk, L.; Przybycien, M.] AGH Univ Sci & Technol, Krakow, Poland. [Gliske, S.; Krueger, K.; Margetis, S.; Spinka, H. M.; Underwood, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Nelson, J. M.] Univ Birmingham, Birmingham, W Midlands, England. [Arkhipkin, D.; Aschenauer, E. C.; Beavis, D. R.; Bland, L. C.; Burton, T. P.; Christie, W.; Debbe, R. R.; di Ruzza, B.; Didenko, L.; Dunlop, J. C.; Fazio, S.; Fisyak, Y.; Guryn, W.; Huang, B.; Ke, H. W.; Lamont, M. A. C.; Landgraf, J. M.; Lauret, J.; Lebedev, A.; Lee, J. H.; LeVine, M. J.; Ljubicic, T.; Longacre, R. S.; Ogawa, A.; Pile, P.; Ruan, L.; Schmidke, W. B.; Smirnov, D.; Sorensen, P.; Tang, A. H.; Ullrich, T.; Van Buren, G.; Videbaek, F.; Wang, H.; Webb, J. C.; Xu, Z.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Crawford, H. J.; Engelage, J.; Judd, E. G.; Perkins, C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brovko, S. G.; Sanchez, M. Calderon de la Barca; Cebra, D.; Ding, F.; Draper, J. E.; Flores, C. E.; Haag, B.; Hill, K.; Kesich, A.; Peterson, A.; Romero, J. L.; Sangaline, E.; Wimsatt, G.] Univ Calif Davis, Davis, CA 95616 USA. [Dunkelberger, L. E.; Huang, H. Z.; Igo, G.; Landry, K. D.; Pan, Y. X.; Shah, N.; Trentalange, S.; Tsai, O. D.; Wang, G.; Zhao, F.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [de Souza, R. Derradi; Vasconcelos, G. M. S.] Univ Estadual Campinas, Sao Paulo, Brazil. [Chen, L.; Huck, P.; Li, Z. M.; Pei, H.; Yang, Y.; Zhang, J. 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L.; Schambach, J.; Wada, M.; Yan, W.] Univ Texas Austin, Austin, TX 78712 USA. [Bellwied, R.; De Silva, L. C.; Timmins, A. R.] Univ Houston, Houston, TX 77204 USA. [Cheng, J.; Kang, K.; Li, Y.; Wang, Y.; Xiao, Z.; Zhang, X. P.; Zhu, X.] Tsinghua Univ, Beijing 100084, Peoples R China. [Engle, K. S.; Witt, R.] US Naval Acad, Annapolis, MD 21402 USA. [Drachenberg, J. L.; Gibson, A.; Grosnick, D.; Koetke, D. D.; Stanislaus, T. D. S.] Valparaiso Univ, Valparaiso, IN 46383 USA. [Adamczyk, L.; Alford, J.; Banerjee, A.; Chattopadhyay, S.; Nayak, T. K.; Pal, S. K.; Roy, A.; Sahoo, N. R.; Singaraju, R. N.; Tribedy, P.; Viyogi, Y. P.] Ctr Variable Energy Cyclotron, Kolkata 700064, India. [Girard, M.; Kisiel, A.; Pawlak, T.; Peryt, W.; Pluta, J.; Trzeciak, B. A.; Zbroszczyk, H.] Warsaw Univ Technol, Warsaw, Poland. [Bichsel, H.; Cramer, J. G.] Univ Washington, Seattle, WA 98195 USA. [Caines, H.; Chikanian, A.; Finch, E.; Harris, J. W.; Horvat, S.; Majka, R.; Ohlson, A.; Riley, C. K.; Sandweiss, J.; Smirnov, N.] Yale Univ, New Haven, CT 06520 USA. [Planinic, M.; Poljak, N.] Univ Zagreb, HR-10002 Zagreb, Croatia. RP Sanchez, MCD (reprint author), Univ Calif Davis, Davis, CA 95616 USA. RI Sumbera, Michal/O-7497-2014; Strikhanov, Mikhail/P-7393-2014; Takahashi, Jun/B-2946-2012; Rusnak, Jan/G-8462-2014; Bielcikova, Jana/G-9342-2014; Fazio, Salvatore /G-5156-2010; XIAO, Zhigang/C-3788-2015; Kumar, Lokesh/A-6154-2010; Aparecido Negrao de Oliveira, Renato/G-9133-2015; Kycia, Radoslaw/J-4397-2015; Huang, Bingchu/H-6343-2015; Suaide, Alexandre/L-6239-2016; Xin, Kefeng/O-9195-2016; Yi, Li/Q-1705-2016; Alekseev, Igor/J-8070-2014; Svirida, Dmitry/R-4909-2016; Inst. of Physics, Gleb Wataghin/A-9780-2017; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013 OI Sumbera, Michal/0000-0002-0639-7323; Strikhanov, Mikhail/0000-0003-2586-0405; Takahashi, Jun/0000-0002-4091-1779; Kumar, Lokesh/0000-0002-2746-9840; Kycia, Radoslaw/0000-0002-6390-4627; Huang, Bingchu/0000-0002-3253-3210; Suaide, Alexandre/0000-0003-2847-6556; Xin, Kefeng/0000-0003-4853-9219; Yi, Li/0000-0002-7512-2657; Alekseev, Igor/0000-0003-3358-9635; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900 FU RHIC Operations Group; NERSC Center at LBNL; KISTI Center in Korea; Open Science Grid consortium; U.S. NSF; CNRS/IN2P3; FAPESP-CNPq of Brazil; Ministry of Education and Science of the Russian Federation; NNSFC; CAS; Korean Research Foundation, GA; MSMT of the Czech Republic; FIAS of Germany; DAE; DST; CSIR of India; National Science Centre of Poland; National Research Foundation [NRF-2012004024]; RosAtom of Russia; RCF at BNL; Office of NP within the U.S. DOE Office of Science; Offices of HEP within the U.S. DOE Office of Science; MoE of China; MoST of China; Ministry of Science, Education and Sports of the Republic of Croatia FX We thank R. Vogt, M. Strickland, R. Rapp, F. Arleo, and J.P. Lansberg for providing us calculations in the STAR kinematic regions. We thank the RHIC Operations Group and RCF at BNL, the NERSC Center at LBNL, the KISTI Center in Korea, and the Open Science Grid consortium for providing resources and support. This work was supported in part by the Offices of NP and HEP within the U.S. DOE Office of Science, the U.S. NSF, CNRS/IN2P3, FAPESP-CNPq of Brazil, the Ministry of Education and Science of the Russian Federation, NNSFC, CAS, MoST and MoE of China, the Korean Research Foundation, GA and MSMT of the Czech Republic, FIAS of Germany, DAE, DST, and CSIR of India, the National Science Centre of Poland, National Research Foundation (NRF-2012004024), the Ministry of Science, Education and Sports of the Republic of Croatia, and RosAtom of Russia. NR 45 TC 33 Z9 34 U1 3 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD JUL 30 PY 2014 VL 735 BP 127 EP 137 DI 10.1016/j.physletb.2014.06.028 PG 11 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM7LO UT WOS:000340048900023 ER PT J AU Hentschinski, M Martinez, JDM Murdaca, B Vera, AS AF Hentschinski, M. Martinez, J. D. Madrigal Murdaca, B. Sabio Vera, A. TI The next-to-leading order vertex for a forward jet plus a rapidity gap at high energies SO PHYSICS LETTERS B LA English DT Article ID QCD; SINGULARITY AB We present the results for the calculation of the forward jet vertex associated to a rapidity gap (coupling of a hard pomeron to the jet) in the Balitsky-Fadin-Kuraev-Lipatov (BFKL) formalism at next-to-leading order (NLO). We handle the real emission contributions making use of the high energy effective action proposed by Lipatov, valid for multi-Regge and quasi-multi-Regge kinematics. This result is important since it allows, together with the NLO non-forward gluon Green function, to perform NLO studies of jet production in diffractive events (Mueller-Tang dijets, as a well-known example). (C) 2014 The Authors. Published by Elsevier B.V. C1 [Hentschinski, M.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Martinez, J. D. Madrigal] CEA Saclay, Inst Theoret Phys, F-91191 Gif Sur Yvette, France. [Murdaca, B.] Univ Calabria, Dipartimento Fis, I-87036 Cosenza, Italy. [Murdaca, B.] Ist Nazl Fis Nucl, Grp Collegato Cosenza, I-87036 Cosenza, Italy. [Sabio Vera, A.] Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain. [Sabio Vera, A.] Univ Autonoma Madrid, E-28049 Madrid, Spain. [Sabio Vera, A.] CERN, Geneva, Switzerland. RP Martinez, JDM (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RI Hentschinski, Martin/A-9708-2015; OI Hentschinski, Martin/0000-0003-2922-7308; Murdaca, Beatrice/0000-0002-1681-5998; Madrigal, Jose Daniel/0000-0002-2453-0706 FU U.S. Department of Energy [DE-AC02-98CH10886]; "BNL Laboratory Directed Research Development" [LDRD 12-034]; European Research Council under Advanced Investigator [ERC-AD-267258]; European Commission under LHCPhenoNet [PITN-GA-2010-264564]; Madrid Regional Government [HEPHACOS ESP-1473]; Spanish Government (MICINN) [FPA2010-17747]; Spanish MINECO Centro de Excelencia Severo Ochoa Programme [SEV-2012-0249] FX We thank the participants of the 2nd Informal Meeting on Scattering Amplitudes & the Multi-Regge Limit (Madrid, February 2014) for stimulating discussions. M.H. acknowledges support from U.S. Department of Energy (DE-AC02-98CH10886) and "BNL Laboratory Directed Research & Development" grant (LDRD 12-034). J.D.M. is supported by European Research Council under Advanced Investigator Grant ERC-AD-267258. A.S.V. acknowledges support from European Commission under contract LHCPhenoNet (PITN-GA-2010-264564), Madrid Regional Government (HEPHACOS ESP-1473), Spanish Government (MICINN (FPA2010-17747)) and Spanish MINECO Centro de Excelencia Severo Ochoa Programme (SEV-2012-0249). NR 28 TC 6 Z9 6 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD JUL 30 PY 2014 VL 735 BP 168 EP 172 DI 10.1016/j.physletb.2014.06.022 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM7LO UT WOS:000340048900029 ER PT J AU Va'vra, J AF Va'vra, J. TI A new possible way to explain the DAMA results SO PHYSICS LETTERS B LA English DT Article DE DAMA experiment; Dark Matter search ID DARK-MATTER SEARCH; CRESST-II AB At present there is an effort to reconcile the results of the DAMA experiment with those from other Dark Matter experiments such as CoGeNT, CRESST, CDMS, and all LXe experiments. The author suggests a new model describing the Dark Matter signal as the result of collisions of very light (1-to-few GeV/c(2)) WIMPs with hydrogen, and compares it with currently accepted models of collisions with heavy nuclei (Na, Ge or Xe). The hydrogen target would come from H-contamination of NaI(Tl), Ge and CaWO4 crystals. Initial tuning indicates that one can explain the modulation amplitude of DAMA and CoGeNT with this model, assuming a WIMP-proton cross section between 10(-33) and 10(-32) cm(2). This paper should be considered to be a new idea which will need substantial new experimental input from all involved experiments. (C) 2014 The Author. Published by Elsevier B. V. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Va'vra, J (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. EM jjv@slac.stanford.edu NR 25 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD JUL 30 PY 2014 VL 735 BP 181 EP 185 DI 10.1016/j.physletb.2014.06.038 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM7LO UT WOS:000340048900032 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, H Schofbeck, R Strauss, J Taurok, A Treberer-Treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Staykova, Z Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Heracleous, N Kalogeropoulos, A Keaveney, J Lowette, S Maes, M Olbrechts, A Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B Lentdecker, G Favart, L Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Pernie, L Reis, T Seva, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Dildick, S Garcia, G Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Da Silveira, GG Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jez, P Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Alda, WL Carvalho, W Chinellato, J Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santaolalla, J Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dias, FA Tomeia, TRFP Gregores, EM Lagana, C Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Sultanov, G Vutova, M Dimitrov, A Glushkov, I Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Chen, M Jiang, CH Liang, D Liang, S Meng, X Plestina, R Tao, J Wang, X Wang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, Q Li, W Liu, S Mao, Y Qian, SJ Wang, D Zhang, L Zou, W Avila, C Montoya, CAC Sierra, LFC Florez, C Gomez, JP Moreno, BG Sanabria, JC Godinovic, N Lelas, D Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Abdelalim, AA Assran, Y Elgammal, S Kamel, AE Mahmoud, MA Radi, A Kadastik, M Muntel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Wendland, L Tuuva, T Besancon, M Couderc, F Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Nayak, A Rander, J Rosowsky, A Titov, M Baffioni, S Beaudette, F Benhabib, L Bluj, M Busson, P Charlot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L Florent, A de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Naranjo, IN Nguyen, M Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Brom, JM Chabert, EC Collard, C Conte, E Drouhin, F Fontaine, JC Gele, D Goerlach, U Goetzmann, C Juillot, P Le Bihan, AC Van Hove, P Gadrat, S Beauceron, S Beaupere, N Boudoul, G Brochet, S Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fan, J Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Perries, S Alvarez, JDR Sgandurra, L Sordini, V Vander Donckt, M Verdier, P Viret, S Xiao, H Tsamalaidze, Z Autermann, C Beranek, S Bontenackels, M Calpas, B Edelhoff, M Feld, L Hindrichs, O Klein, K Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Wittmer, B Zhukov, V Ata, M Caudron, J Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Guth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Knutzen, S Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Padeken, K Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Thuer, S Weber, M Cherepanov, V Erdogan, Y Flugge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Lingemann, J Nowack, A Nugent, IM Perchalla, L Pooth, O Stahl, A Asin, I Bartosik, N Behr, J Behrenhoff, W Behrens, U Bell, AJ Bergholz, M Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Choudhury, S Costanza, F Pardos, CD Dooling, S Dorland, T Eckerlin, G Eckstein, D Flucke, G Geiser, A Grebenyuk, A Gunnellini, P 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CA CMS Collaboration TI Measurement of the production cross section for a W boson and two b jets in pp collisions at root s=7 TeV SO PHYSICS LETTERS B LA English DT Article DE CMS; Physics; SMP ID PARTON DISTRIBUTIONS; LHC AB The production cross section for a Wboson and two b jets is measured using proton-proton collisions at v root s = 7 TeV in a data sample collected with the CMS experiment at the LHC corresponding to an integrated luminosity of 5.0 fb(-1). The W + bbevents are selected in the W..decay mode by requiring a muon with transverse momentum pT> 25GeVand pseudorapidity |eta| < 2.1, and exactly two b-tagged jets with pT> 25GeVand |eta| < 2.4. The measured W + bbproduction cross section in the fiducial region, calculated at the level of final-state particles, is s(pp. W + bb) xB(W..) = 0.53 +/- 0.05 (stat.) +/- 0.09 (syst.) +/- 0.06 (theo.) 0.01 (lum.) pb, in agreement with the standard model prediction. 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[Beauceron, S.; Beaupere, N.; Boudoul, G.; Brochet, S.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Alvarez, J. D. Ruiz; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.] Univ Lyon 1, CNRS, Inst Phys Nucl Lyon, IN2P3, F-69622 Villeurbanne, France. [Tsamalaidze, Z.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, Tbilisi, Rep of Georgia. [Autermann, C.; Beranek, S.; Bontenackels, M.; Calpas, B.; Edelhoff, M.; Feld, L.; Hindrichs, O.; Klein, K.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany. [Ata, M.; Caudron, J.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Padeken, K.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Thueer, S.; Weber, M.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Perchalla, L.; Pooth, O.; Stahl, A.; Geiser, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Asin, I.; Bartosik, N.; Behr, J.; Behrenhoff, W.; Behrens, U.; Bell, A. J.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Pardos, C. Diez; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Flucke, G.; Geiser, A.; Grebenyuk, A.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Hempel, M.; Horton, D.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Kraemer, M.; Kruecker, D.; Lange, W.; Leonard, J.; Lipka, K.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Nowak, F.; Olzem, J.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Cipriano, P. M. Ribeiro; Riedl, C.; Ron, E.; Sahin, M. Oe.; Salfeld-Nebgen, J.; Schmidt, R.; Schoerner-Sadenius, T.; Schroeder, M.; Sen, N.; Stein, M.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Martin, M. Aldaya; Blobel, V.; Enderle, H.; Erfle, J.; Garutti, E.; Gebbert, U.; Goerner, M.; Gosselink, M.; Haller, J.; Heine, K.; Hoeing, R. S.; Kaussen, G.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lange, J.; Marchesini, I.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schum, T.; Seidel, M.; Sibille, J.; Sola, V.; Stadie, H.; Steinbrueck, G.; Thomsen, J.; Troendle, D.; Usai, E.; Vanelderen, L.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Baus, C.; Berger, J.; Boeser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hartmann, F.; Hauth, T.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Komaragiri, J. R.; Kornmayer, A.; Kuznetsova, E.; Pardo, P. Lobelle; Martschei, D.; Mozer, M. U.; Mueller, Th.; Niegel, M.; Nuernberg, A.; Oberst, O.; Ott, J.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Roecker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Zeise, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Ntomari, E.; Topsis-giotis, I.] NCSR Demokritos, Inst Nucl & Particle Phys, Aghia Paraskevi, Greece. [Gouskos, L.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.; Sphicas, P.] Univ Athens, Athens, Greece. [Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.] Wigner Res Ctr Phys, Budapest, Hungary. [Horvath, D.; Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, Debrecen, Hungary. [Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Mittal, M.; Nishu, N.; Sharma, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Askok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Saxena, P.; Sharma, V.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Singh, A. P.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Swain, S. K.; Aziz, T.; Chatterjee, R. M.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res, EHEP, Bombay 400005, Maharashtra, India. [Banerjee, S.; Guchait, M.; Dugad, S.] Tata Inst Fundamental Res, HECR, Bombay 400005, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Grunewald, M.] Univ Coll Dublin, Dublin 2, Ireland. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Verwilligen, P.; Zito, G.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Marangelli, B.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Singh, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Giordano, F.] CSFNSM, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Fabbri, F.; Benussi, L.; Bianco, S.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Fabbricatore, P.; Ferretti, R.; Ferro, F.; Lo Vetere, M.; Musenich, R.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Dosselli, U.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Montecassiano, F.; Pazzini, J.; Pegoraro, M.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Triossi, A.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trent, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Pioppi, M.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Pioppi, M.] Univ Perugia, I-06100 Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Grippo, M. T.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; Fiori, F.; Foa, L.; Ligabue, F.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Grassi, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Soffi, L.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Degano, A.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Migliore, E.; Monaco, V.; Ortona, G.; Pacher, L.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.; Umer, T.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Montanino, D.; Schizzi, A.; Umer, T.] Univ Trieste, Trieste, Italy. [Chang, S.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Son, D. C.; Kamon, T.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Lee, S.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Grigelionis, I.; Juodagalvis, A.] Vilnius Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Wolszczak, W.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; Beirao Da Cruz E Silva, C.; Faccioli, P.; Ferreira Parracho, G.; Gallinaro, M.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Tsamalaidze, Z.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Evstyukhin, S.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Popov, A.; Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Navarro De Martino, E.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Rabady, D.; Genchev, V.; Iaydjiev, P.; Lingemann, J.; Guthoff, M.; Hartmann, F.; Hauth, T.; Kornmayer, A.; Sharma, A.; Mohanty, A. K.; Giordano, F.; Fiorendi, S.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Meola, S.; Paolucci, P.; Galanti, M.; Pelliccioni, M.; Cossutti, F.; Seixas, J.; Chamizo Llatas, M.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bendavid, J.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Hartl, C.; Hinzmann, A.; Innocente, V.; Janot, P.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lee, Y. -J.; Lourenco, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Mulders, M.; Musella, P.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Plagge, M.; Quertenmont, L.; Racz, A.; Reece, W.; Rolandi, G.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Sekmen, S.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Stieger, B.; Stoye, M.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Mangano, B.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Meister, D.; Mohr, N.; Moortgat, F.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Quittnat, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Takahashi, M.; Tauscher, L.; Theofilatos, K.; Treille, D.; Wallny, R.; Weber, H. A.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Cosa, A.; Favaro, C.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Ngadiuba, J.; Robmann, P.; Snoek, H.; Taroni, S.; Verzetti, M.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Liu, Y. F.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Belyaev, A.; Newbold, D. M.; Bell, K. W.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Ilic, J.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.; Lucas, R.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Bhattacharya, S.; Alimena, J.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Weber, M.; Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Traczyk, P.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Liu, H.; Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Shrinivas, A.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Campagnari, C.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Kovalskyi, D.; Krutelyov, V.; Villalba, R. Magana; Mccoll, N.; Pavlunin, V.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Ma, Y.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gutsche, O.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kunori, S.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Ratnikova, N.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] Univ Illinois, Chicago, IL USA. [Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Gritsan, A. V.; Hu, G.; Maksimovic, P.; Martin, C.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Kim, Y.; Klute, M.; Lai, Y. S.; Levin, A.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Velicanu, D.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, University, MS 38677 USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Kumar, A.; Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Berry, D.; Brinkerhoff, A.; Chan, K. M.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Savoy-Navarro, A.; Alagoz, E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Jung, K.; Koybasi, O.; Kress, M.; Leonardo, N.; Pegna, D. Lopes; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Li, W.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Petrillo, G.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Malik, S.; Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Rose, K.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. 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A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Duric, S.; Friis, E.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Swanson, J.] Univ Wisconsin, Madison, WI 53706 USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Chinellato, J.; Tonelli Manganote, E. J.] Univ Estadual Campinas, Campinas, SP, Brazil. [Abdelalim, A. A.; Elgammal, S.] Zewail City Sci & Technol, Zewail, Egypt. [Assran, Y.] Suez Canal Univ, Suez, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Radi, A.] British Univ Egypt, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Drouhin, F.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France. [Bergholz, M.; Lohmann, W.; Schmidt, R.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Vesztergombi, G.; Veres, G. I.] Eotvos Lorand Univ, Budapest, Hungary. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Wickramage, N.] Univ Ruhuna, Matara, Sri Lanka. [Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran. [Fahim, A.] Sharif Univ Technol, Tehran, Iran. [Safarzadeh, B.] Islamic Azad Univ, Sci & Res Branch, Plasma Phys Res Ctr, Tehran, Iran. [Androsov, K.; Ciocci, M. A.; Grippo, M. T.; Squillacioti, P.] Univ Siena, I-53100 Siena, Italy. [Moon, C. S.] CNRS, IN2P3, Paris, France. [Heredia-de La Cruz, I.] Univ Michoacana, Morelia, Michoacan, Mexico. [Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy. [Rolandi, G.] Scuola Normale, Pisa, Italy. [Rolandi, G.] Sezione Ist Nazl Fis Nucl, Pisa, Italy. [Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Bakirci, M. N.; Ozturk, S.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey. [Cerci, S.; Cerci, D. Sunar; Tali, B.] Adiyaman Univ, Adiyaman, Turkey. [Onengut, G.] Cag Univ, Mersin, Turkey. [Sogut, K.] Mersin Univ, Mersin, Turkey. [Karapinar, G.] Izmir Inst Technol, Izmir, Turkey. [Isildak, B.] Ozyegin Univ, Istanbul, Turkey. [Kaya, M.; Kaya, O.] Kafkas Univ, Kars, Turkey. [Ozkorucuklu, S.] Suleyman Demirel Univ, TR-32200 Isparta, Turkey. [Sonmez, N.] Ege Univ, Izmir, Turkey. [Bahtiyar, H.; Albayrak, E. A.; Ozok, F.] Mimar Sinan Univ, Istanbul, Turkey. [Gunaydin, Y. O.] Kahramanmaras Sutcu Imam Univ, TR-46050 Kahramanmaras, Turkey. [Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Wasserbaech, S.] Utah Valley Univ, Orem, UT USA. [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Yetkin, T.] Yildiz Tekn Univ, Istanbul, Turkey. [Bouhali, O.] Texas A&M Univ Qatar, Doha, Qatar. RP Chatrchyan, S (reprint author), Yerevan Phys Inst, Yerevan 375036, Armenia. RI Rolandi, Luigi (Gigi)/E-8563-2013; Sguazzoni, Giacomo/J-4620-2015; Ligabue, Franco/F-3432-2014; VARDARLI, Fuat Ilkehan/B-6360-2013; Dudko, Lev/D-7127-2012; Manganote, Edmilson/K-8251-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Ragazzi, Stefano/D-2463-2009; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Codispoti, Giuseppe/F-6574-2014; Yazgan, Efe/A-4915-2015; Torassa, Ezio/I-1788-2012; Venturi, Andrea/J-1877-2012; Lokhtin, Igor/D-7004-2012; Calderon, Alicia/K-3658-2014; Josa, Isabel/K-5184-2014; Novaes, Sergio/D-3532-2012; Montanari, Alessandro/J-2420-2012; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Lopez Virto, Amparo/K-9996-2014; Gonzalez Caballero, Isidro/E-7350-2010; Calvo Alamillo, Enrique/L-1203-2014; Cerrada, Marcos/J-6934-2014; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Chinellato, Jose Augusto/I-7972-2012; Bernardes, Cesar Augusto/D-2408-2015; Raidal, Martti/F-4436-2012; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Wulz, Claudia-Elisabeth/H-5657-2011; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Yazgan, Efe/C-4521-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Menasce, Dario Livio/A-2168-2016; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Da Silveira, Gustavo Gil/N-7279-2014; Mundim, Luiz/A-1291-2012; Haj Ahmad, Wael/E-6738-2016; Konecki, Marcin/G-4164-2015; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Cakir, Altan/P-1024-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Paganoni, Marco/A-4235-2016; Azarkin, Maxim/N-2578-2015; de Jesus Damiao, Dilson/G-6218-2012; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Dubinin, Mikhail/I-3942-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Tinoco Mendes, Andre David/D-4314-2011; Hernandez Calama, Jose Maria/H-9127-2015; ciocci, maria agnese /I-2153-2015; Bedoya, Cristina/K-8066-2014; My, Salvatore/I-5160-2015; Matorras, Francisco/I-4983-2015; Lo Vetere, Maurizio/J-5049-2012; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; OI Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Sguazzoni, Giacomo/0000-0002-0791-3350; da Cruz e silva, Cristovao/0000-0002-1231-3819; Casarsa, Massimo/0000-0002-1353-8964; Ligabue, Franco/0000-0002-1549-7107; Abdelalim, Ahmed Ali/0000-0002-2056-7894; Diemoz, Marcella/0000-0002-3810-8530; Tricomi, Alessia Rita/0000-0002-5071-5501; Ghezzi, Alessio/0000-0002-8184-7953; bianco, stefano/0000-0002-8300-4124; Demaria, Natale/0000-0003-0743-9465; Benaglia, Andrea Davide/0000-0003-1124-8450; Covarelli, Roberto/0000-0003-1216-5235; Dudko, Lev/0000-0002-4462-3192; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Ragazzi, Stefano/0000-0001-8219-2074; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Codispoti, Giuseppe/0000-0003-0217-7021; Novaes, Sergio/0000-0003-0471-8549; Montanari, Alessandro/0000-0003-2748-6373; Scodellaro, Luca/0000-0002-4974-8330; Lopez Virto, Amparo/0000-0002-8707-5392; Gonzalez Caballero, Isidro/0000-0002-8087-3199; Calvo Alamillo, Enrique/0000-0002-1100-2963; Cerrada, Marcos/0000-0003-0112-1691; Grandi, Claudio/0000-0001-5998-3070; Chinellato, Jose Augusto/0000-0002-3240-6270; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Yazgan, Efe/0000-0001-5732-7950; Bean, Alice/0000-0001-5967-8674; Longo, Egidio/0000-0001-6238-6787; Di Matteo, Leonardo/0000-0001-6698-1735; Baarmand, Marc/0000-0002-9792-8619; Boccali, Tommaso/0000-0002-9930-9299; Menasce, Dario Livio/0000-0002-9918-1686; Attia Mahmoud, Mohammed/0000-0001-8692-5458; Bilki, Burak/0000-0001-9515-3306; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Mundim, Luiz/0000-0001-9964-7805; Haj Ahmad, Wael/0000-0003-1491-0446; Konecki, Marcin/0000-0001-9482-4841; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Paganoni, Marco/0000-0003-2461-275X; de Jesus Damiao, Dilson/0000-0002-3769-1680; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Dubinin, Mikhail/0000-0002-7766-7175; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Hernandez Calama, Jose Maria/0000-0001-6436-7547; ciocci, maria agnese /0000-0003-0002-5462; Bedoya, Cristina/0000-0001-8057-9152; My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Lo Vetere, Maurizio/0000-0002-6520-4480; Rovelli, Tiziano/0000-0002-9746-4842; Ciulli, Vitaliano/0000-0003-1947-3396; Androsov, Konstantin/0000-0003-2694-6542; Fiorendi, Sara/0000-0003-3273-9419; Martelli, Arabella/0000-0003-3530-2255; Gonzi, Sandro/0000-0003-4754-645X; Levchenko, Petr/0000-0003-4913-0538 FU Marie-Curie programme; European Research Council and EPLANET (European Union); Leventis Foundation; Alfred P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWTBelgium); Ministry of Education, Youth and Sports (MEYS) of Czech Republic; Council of Science and Industrial Research, India; Compagnia di San Paolo (Torino); HOMING PLUS programme of Foundation For Polish Science; EU; Regional Development Fund; Thalis and Aristeia programmes; EU-ESF; Greek NSRF FX Individuals have received support from the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the Alfred P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWTBelgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); the HOMING PLUS programme of Foundation For Polish Science, cofinanced by EU, Regional Development Fund; and the Thalis and Aristeia programmes cofinanced by EU-ESF and the Greek NSRF. NR 45 TC 13 Z9 13 U1 7 U2 81 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD JUL 30 PY 2014 VL 735 BP 204 EP 225 DI 10.1016/j.physletb.2014.06.041 PG 22 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM7LO UT WOS:000340048900037 ER PT J AU Radyushkin, AV AF Radyushkin, A. V. TI Virtuality distributions in application to gamma gamma* -> pi(0) transition form factor at handbag level SO PHYSICS LETTERS B LA English DT Article ID QUANTUM CHROMODYNAMICS; EXCLUSIVE PROCESSES; PARTON MODEL; QCD; FACTORIZATION; AMPLITUDE; ENERGIES AB We outline basics of a new approach to transverse momentum dependence in hard processes. As an illustration, we consider hard exclusive transition process gamma*gamma -> pi(0) at the handbag level. Our starting point is coordinate representation for matrix elements of operators (in the simplest case, bilocal O(0, z)) describing a hadron with momentum p. Treated as functions of (pz) and z(2), they are parametrized through virtuality distribution amplitudes (VDA) Phi(x, sigma), with xbeing Fourier-conjugate to (pz) and sigma Laplace-conjugate to z(2). For intervals with z(+) = 0, we introduce the transverse momentum distribution amplitude (TMDA) Psi(x, k(perpendicular to)), and write it in terms of VDA Phi(x, sigma). The results of covariant calculations, written in terms of F(x, s) are converted into expressions involving Psi(x, k(perpendicular to)). Starting with scalar toy models, we extend the analysis onto the case of spin-1/2quarks and QCD. We propose simple models for soft VDAs/TMDAs, and use them for comparison of handbag results with experimental (BaBar and BELLE) data on the pion transition form factor. We also discuss how one can generate high-k(perpendicular to) tails from primordial soft distributions. (C) 2014 The Author. Published by Elsevier B.V. This is an open access article under the CC BY license C1 [Radyushkin, A. V.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Radyushkin, A. V.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Radyushkin, AV (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. FU Jefferson Science Associates, LLC under U.S. DOE [DE-AC05-06OR23177]; U.S. DOE [DE-FG02-97ER41028] FX I thank I. Balitsky, V.M. Braun, G.A. Miller, A.H. Mueller, A. Prokudin, A. Tarasov and C. Weiss for discussions. This work is supported by Jefferson Science Associates, LLC under U.S. DOE Contract #DE-AC05-06OR23177 and by U.S. DOE Grant #DE-FG02-97ER41028. NR 34 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD JUL 30 PY 2014 VL 735 BP 417 EP 425 DI 10.1016/j.physletb.2014.06.078 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM7LO UT WOS:000340048900072 ER PT J AU Dutta, A Hensley, J Bain, R Magrini, K Tan, ECD Apanel, G Barton, D Groenendijk, P Ferrari, D Jablonski, W Carpenter, D AF Dutta, Abhijit Hensley, Jesse Bain, Richard Magrini, Kim Tan, Eric C. D. Apanel, George Barton, David Groenendijk, Peter Ferrari, Daniela Jablonski, Whitney Carpenter, Daniel TI Technoeconomic Analysis for the Production of Mixed Alcohols via Indirect Gasification of Biomass Based on Demonstration Experiments SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID PILOT-SCALE; SYNGAS; CONVERSION; CATALYST; ETHANOL; WOOD AB An integrated biomass-to-mixed alcohol process was demonstrated at the pilot scale, including indirect gasification, tar and hydrocarbon reforming, gas conditioning, and gas to liquids operations. Additional bench-scale experiments were conducted to gather insights into reforming and fuel synthesis operations under more extensive conditions. Data from these experiments were combined with tools and knowledge owned by industrial partners-Rentech and The Dow Chemical Company-to validate a conceptual commercial-scale cellulosic ethanol refinery. Results suggest that both reforming and mixed alcohol processes are scalable and economical, with a modeled mature plant ethanol production cost of $0.54/L ($0.82/L of gasoline equivalent). Sustainability metrics for the conversion process are also presented. C1 [Dutta, Abhijit; Hensley, Jesse; Bain, Richard; Magrini, Kim; Tan, Eric C. D.; Jablonski, Whitney; Carpenter, Daniel] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Apanel, George] Rentech, Commerce City, CO 80022 USA. [Barton, David; Groenendijk, Peter; Ferrari, Daniela] Dow Chem Co USA, Midland, MI 48674 USA. RP Dutta, A (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Abhijit.Dutta@nrel.gov FU U.S. Department of Energy (DOE) [DE-AC36-08-GO28308] FX We are grateful for funding provided under U.S. Department of Energy (DOE) Contract DE-AC36-08-GO28308, and to The Dow Chemical Company for providing alcohol synthesis catalysts and for the use of their kinetic models under CRADA CRD-08-292. We thank Rentech for providing pilot test results for the NREL catalyst, Johnson Matthey for use of their reforming catalyst, Pacific Northwest National Laboratory for their work on an alternate alcohol synthesis catalyst, and Idaho National Laboratory for feedstock information. Also thanks to Paul Grabowski for continued support during the entire project, Michael Talmadge for TEA work, and communications support from Sara Havig Stephanie Price, and Kristi Theis. We thank the entire NREL biomass thermochemical conversion platform staff for their tireless efforts during the challenging integrated pilot plant demonstration. NR 33 TC 8 Z9 8 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD JUL 30 PY 2014 VL 53 IS 30 BP 12149 EP 12159 DI 10.1021/ie402045q PG 11 WC Engineering, Chemical SC Engineering GA AM2PU UT WOS:000339694100029 ER PT J AU Luo, ZT Nachammai, V Zhang, B Yan, N Leong, DT Jiang, DE Xie, JP AF Luo, Zhentao Nachammai, Vairavan Zhang, Bin Yan, Ning Leong, David Tai Jiang, De-en Xie, Jianping TI Toward Understanding the Growth Mechanism: Tracing All Stable Intermediate Species from Reduction of Au(I)-Thiolate Complexes to Evolution of Au-25 Nanoclusters SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID THIOLATED GOLD CLUSTERS; STRUCTURAL EVOLUTION; CRYSTAL-STRUCTURE; METAL-CLUSTERS; SIZE; NANOPARTICLES; CONVERSION; OXIDATION; AU-15; AU-38 AB Despite 20 years of progress in synthesizing thiolated gold nanoclusters (Au NCs), the knowledge of their growth mechanism still lags behind. Herein the detailed process from reduction of Au(I)-thiolate complex precursors to the eventual evolution of and focusing to the atomically precise Au 25 NCs was revealed for the first time by monitoring the time evolution of Au(I) precursor and Au NC intermediate species with ESI-MS. A two-stage, bottom-up formation and growth process was proposed: a fast stage of reduction-growth mechanism, followed by a slow stage of intercluster conversion and focusing. Balanced reactions of formation for each identified NC were suggested, backed by theoretical calculations of the thermodynamic driving force. This work advances one step further toward understanding the mechanism of formation and growth of thiolated Au NCs. C1 [Luo, Zhentao; Nachammai, Vairavan; Zhang, Bin; Yan, Ning; Leong, David Tai; Xie, Jianping] Natl Univ Singapore, Dept Chem & Biomol Engn, Singapore 119260, Singapore. [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Jiang, DE (reprint author), Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. EM djiang@ucr.edu; chexiej@nus.edu.sg RI Luo, Zhentao/B-1058-2011; XIE, Jianping/C-6211-2008; Leong, David/G-1056-2012; Jiang, De-en/D-9529-2011; Yan, Ning/B-8780-2013 OI Luo, Zhentao/0000-0002-3074-046X; XIE, Jianping/0000-0002-3254-5799; Jiang, De-en/0000-0001-5167-0731; Yan, Ning/0000-0002-1877-9206 FU Ministry of Education, Singapore [R-279-000-409-112] FX This work is financially supported by the Ministry of Education, Singapore, under Grant R-279-000-409-112. DFT computation was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 40 TC 79 Z9 79 U1 9 U2 114 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 30 PY 2014 VL 136 IS 30 BP 10577 EP 10580 DI 10.1021/ja505429f PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA AM2PS UT WOS:000339693900008 PM 25014336 ER PT J AU Sevov, CS Hartwig, JF AF Sevov, Christo S. Hartwig, John F. TI Iridium-Catalyzed Oxidative Olefination of Furans with Unactivated Alkenes SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID C-H OLEFINATION; BOND ACTIVATION; COUPLING REACTION; FUNCTIONALIZATION; ALKENYLATION; ARENES; DERIVATIVES; ANILIDES; DIOXYGEN; ACID AB The oxidative coupling of arenes and alkenes is an attractive strategy for the synthesis of vinylarenes, but reactions with unactivated alkenes have typically occurred in low yield. We report an Ir-catalyzed oxidative coupling of furans with unactivated olefins to generate branched vinylfuran products in high yields and with high selectivities with a second alkene as the hydrogen acceptor. Detailed mechanistic experiments revealed catalyst decomposition pathways that were alleviated by the judicious selection of reaction conditions and application of new ligands. C1 [Hartwig, John F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Hartwig, JF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM jhartwig@berkeley.edu FU Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF FX This work was supported by the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We thank Johnson-Matthey for gifts of IrCl3 and [Ir(cod)Cl]2 and Takasago for a gift of (S)-DTBM-SEGPHOS. C.S.S. thanks the NSF for a graduate research fellowship. NR 43 TC 26 Z9 26 U1 2 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 30 PY 2014 VL 136 IS 30 BP 10625 EP 10631 DI 10.1021/ja504414c PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA AM2PS UT WOS:000339693900018 PM 25032781 ER PT J AU Waegele, MM Chen, XH Herhihy, DM Cuk, T AF Waegele, Matthias M. Chen, Xihan Herhihy, David M. Cuk, Tanja TI How Surface Potential Determines the Kinetics of the First Hole Transfer of Photocatalytic Water Oxidation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXYGEN EVOLUTION REACTION; CHARGE-CARRIER DYNAMICS; COBALT OXIDE; NEUTRAL PH; TIO2; ELECTRODES; INTERFACE; CATALYST; PHOTOOXIDATION; ALPHA-FE2O3 AB Interfacial hole transfer between n-SrTiO3 and OH- was investigated by surface sensitive transient optical spectroscopy of an in situ photoelectrochemical cell during water oxidation. The kinetics reveal a single rate constant with an exponential dependence on the surface hole potential, spanning time scales from 3 ns to 8 ps over a approximate to 1 V increase. A voltage- and laser illumination-induced process moves the valence band edge at the n-type semiconductor/water interface to continuously change the surface hole potential. This single step of the water oxidation reaction is assigned to the first hole transfer h(+) + OH- -> OH center dot. The kinetics quantify how much a change in the free energy difference driving this first hole transfer reduces the activation barrier. They are also used to extrapolate the kinetic rate due to the activation barrier when that free energy difference is zero, or the Nernstian potential. This is the first time transient spectroscopy has enabled the separation of the first hole transfer from the full four hole transfer cycle and a direct determination of these two quantities. The Nernstian potential for OH-/OH center dot is also suggested, in rough agreement with gas-phase studies. The observation of a distinct, much longer time scale upon picosecond hole transfer to OH- suggests that a dominant, more stable intermediate of the water oxidation reaction, possibly a surface bound oxo, may result. C1 [Waegele, Matthias M.; Chen, Xihan; Herhihy, David M.; Cuk, Tanja] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Cuk, Tanja] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Cuk, T (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tanjacuk@berkeley.edu RI Foundry, Molecular/G-9968-2014; Chen, Xihan/M-9210-2016 OI Chen, Xihan/0000-0001-7907-2549 FU Air Force Office of Scientific Research under AFOSR [FA9550-12-1-0337]; Department of Energy Office of Basic Energy Sciences, under the CPIMS program [KC030102, CH12CUK1]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This material is based upon work supported by the Air Force Office of Scientific Research under AFOSR award no. FA9550-12-1-0337 and by the Department of Energy Office of Basic Energy Sciences, under the CPIMS program KC030102 (FWP no. CH12CUK1). Work (ellipsometry measurement) at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. We thank Adam Schwartzberg for helping us with the ellipsometry measurements. We thank Heinz Frei, Steven Leone, and Gabor Somorjai for critically reading the manuscript and Dunwei Wang for helpful comments on our steady-state measurements. NR 44 TC 13 Z9 13 U1 8 U2 140 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 30 PY 2014 VL 136 IS 30 BP 10632 EP 10639 DI 10.1021/ja503603k PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA AM2PS UT WOS:000339693900019 PM 25029360 ER PT J AU Beecher, AN Yang, XH Palmer, JH LaGrassa, AL Juhas, P Billinge, SJL Owen, JS AF Beecher, Alexander N. Yang, Xiaohao Palmer, Joshua H. LaGrassa, Alexandra L. Juhas, Pavol Billinge, Simon J. L. Owen, Jonathan S. TI Atomic Structures and Gram Scale Synthesis of Three Tetrahedral Quantum Dots SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OPTICAL-PROPERTIES; SEMICONDUCTOR CLUSTERS; CRYSTAL-STRUCTURE; LIGAND-EXCHANGE; SIZE DEPENDENCE; CDSE CLUSTERS; BUILT-UP; NANOCRYSTALS; NANOPARTICLES; MOLECULES AB Luminescent semiconducting quantum dots (QDs) are central to emerging technologies that range from tissue imaging to solid-state lighting. However, existing samples are heterogeneous, which has prevented atomic-resolution determination of their structures and obscured the relationship between their atomic and electronic structures. Here we report the synthesis, isolation, and structural characterization of three cadmium selenide QDs with uniform compositions (Cd35Se20(X)(30)(L)(30), Cd56Se35(X)(42)(L)(42), Cd84Se56(X)(56)(L)(56); X = O2CPh, L = H2N-C4H9). Their UV-absorption spectra show a lowest energy electronic transition that decreases in energy (3.54 eV, 3.26 eV, 3.04 eV) and sharpens as the size of the QD increases (fwhm = 207 meV, 145 meV, 115 meV). The photoluminescence spectra of all three QDs are broad with large Stokes shifts characteristic of trap-luminescence. Using a combination of single-crystal X-ray diffraction and atomic pair distribution function analysis, we determine the structures of their inorganic cores, revealing a series of pyramidal nanostuctures with cadmium terminated {111} facets. Theoretical and experimental studies on these materials will open the door to a deeper fundamental understanding of structure property relationships in quantum-confined semiconductors. C1 [Beecher, Alexander N.; Palmer, Joshua H.; LaGrassa, Alexandra L.; Owen, Jonathan S.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Beecher, Alexander N.; Palmer, Joshua H.; LaGrassa, Alexandra L.; Owen, Jonathan S.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Juhas, Pavol; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Owen, JS (reprint author), Columbia Univ, Dept Chem, New York, NY 10027 USA. EM jso2115@columbia.edu RI Yang, Xiaohao/H-3977-2013; OI Owen, Jonathan/0000-0001-5502-3267; Yang, Xiaohao/0000-0001-6136-3575; Juhas, Pavol/0000-0001-8751-4458 FU National Science Foundation [NSF-CHE-1151172, CHE-0619638]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001085]; Laboratory Directed Research and Development (LDRD) Program at the Brookhaven National Laboratory [12-007]; U.S. Department of Energy, Division of Materials Sciences and Division of Chemical Sciences [DE-AC02-98CH10886] FX We thank Dr. Joshua Choi for assistance with PDF measurements, Ava Kreider-Mueller and Prof. Gerard Parkin for assistance with SCXRD, Paul Kowalski of Bruker for assistance with LDI-MS analysis, Zachariah Norman for helpful discussions, Ruth Pachter for sharing coordinates of computed magic size clusters, and Paul Mulvaney and Jacek Jasieniak for sharing size-dependent optical data. Work on QD synthesis and growth kinetics was supported by the National Science Foundation through contract number NSF-CHE-1151172. PDF measurements were supported by the Center for Re-Defining Photovoltaic Efficiency Through Molecule Scale Control, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001085. PDF simulations and structure reliability studies were funded by Laboratory Directed Research and Development (LDRD) Program 12-007 (Complex Modeling) at the Brookhaven National Laboratory. X-ray experiments were carried out at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Division of Materials Sciences and Division of Chemical Sciences, DE-AC02-98CH10886. We thank the National Science Foundation (CHE-0619638) for the acquisition of an X-ray diffractometer. NR 51 TC 36 Z9 36 U1 12 U2 72 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 30 PY 2014 VL 136 IS 30 BP 10645 EP 10653 DI 10.1021/ja503590h PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA AM2PS UT WOS:000339693900021 PM 25003618 ER PT J AU Busby, E Berkelbach, TC Kumar, B Chernikov, A Zhong, Y Hlaing, H Zhu, XY Heinz, TF Hybertsen, MS Sfeir, MY Reichman, DR Nuckolls, C Yaffe, O AF Busby, Erik Berkelbach, Timothy C. Kumar, Bharat Chernikov, Alexey Zhong, Yu Hlaing, Htay Zhu, X. -Y. Heinz, Tony F. Hybertsen, Mark S. Sfeir, Matthew Y. Reichman, David R. Nuckolls, Colin Yaffe, Omer TI Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID TIME-RESOLVED SPECTRA; EXCITON-FISSION; POLYCRYSTALLINE PENTACENE; THIN-FILMS; TETRACENE; DYNAMICS; ENERGY; ABSORPTION; KINETICS; STATE AB Singlet fission, the conversion of a singlet excitation into two triplet excitations, is a viable route to improved solar-cell efficiency. Despite active efforts to understand the singlet fission mechanism, which would aid in the rational design of new materials, a comprehensive understanding of mechanistic principles is still lacking. Here, we present the first study of singlet fission in crystalline hexacene which, together with tetracene and pentacene, enables the elucidation of mechanistic trends. We characterize the static and transient optical absorption and combine our findings with a theoretical analysis of the relevant electronic couplings and rates. We find a singlet fission time scale of 530 fs, which is orders of magnitude faster than tetracene (10-100ps) but significantly slower than pentacene (80-110 fs). We interpret this increased time scale as a multiphonon relaxation effect originating from a large exothermicity and present a microscopic theory that quantitatively reproduces the rates in the acene family. C1 [Busby, Erik; Yaffe, Omer] Columbia Univ, Energy Frontier Res Ctr, New York, NY 10027 USA. [Berkelbach, Timothy C.; Kumar, Bharat; Zhong, Yu; Zhu, X. -Y.; Reichman, David R.; Nuckolls, Colin] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Chernikov, Alexey; Hlaing, Htay; Heinz, Tony F.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Chernikov, Alexey; Heinz, Tony F.] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. [Busby, Erik; Hybertsen, Mark S.; Sfeir, Matthew Y.; Yaffe, Omer] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Yaffe, O (reprint author), Columbia Univ, Energy Frontier Res Ctr, New York, NY 10027 USA. EM oy2118@columbia.edu RI Heinz, Tony/K-7797-2015; Busby, Erik/A-5120-2015; OI Heinz, Tony/0000-0003-1365-9464; Busby, Erik/0000-0001-5272-7656; Hybertsen, Mark S/0000-0003-3596-9754; Sfeir, Matthew/0000-0001-5619-5722 FU Center for Re-Defining Photovoltaic Efficiency Through Molecular-Scale Control, an Energy Frontier Research Center - US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DE-SC0001085]; EFRC; Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF) [DE-AC05-06OR23100]; Alexander von Humboldt Foundation; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Overall project coordination, sample growth and optical characterization were supported as part of the Center for Re-Defining Photovoltaic Efficiency Through Molecular-Scale Control, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences under Award DE-SC0001085. O.Y. and E.B. were supported by the EFRC as a research fellows. We wish to thank Mikas Vengris (Vilnius University) for graciously providing his global analysis software package for our use. T.C.B. was partially supported by the Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF), administered by ORISE-ORAU under contract no. DE-AC05-06OR23100. A.C. gratefully acknowledges funding from the Alexander von Humboldt Foundation within the Feodor-Lynen Fellowship program. Research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-98CH10886. NR 41 TC 32 Z9 32 U1 9 U2 111 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 30 PY 2014 VL 136 IS 30 BP 10654 EP 10660 DI 10.1021/ja503980c PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA AM2PS UT WOS:000339693900022 PM 24983697 ER PT J AU Bloch, ED Hudson, MR Mason, JA Chavan, S Crocella, V Howe, JD Lee, K Dzubak, AL Queen, WL Zadrozny, JM Geier, SJ Lin, LC Gagliardi, L Smit, B Neaton, JB Bordiga, S Brown, CM Long, JR AF Bloch, Eric D. Hudson, Matthew R. Mason, Jarad A. Chavan, Sachin Crocella, Valentina Howe, Joshua D. Lee, Kyuho Dzubak, Allison L. Queen, Wendy L. Zadrozny, Joseph M. Geier, Stephen J. Lin, Li-Chiang Gagliardi, Laura Smit, Berend Neaton, Jeffrey B. Bordiga, Silvia Brown, Craig M. Long, Jeffrey R. TI Reversible CO Binding Enables Tunable CO/H-2 and CO/N-2 Separations in Metal-Organic Frameworks with Exposed Divalent Metal Cations SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID IRON(II) COORDINATION SITES; CARBON-DIOXIDE CAPTURE; AUGMENTED-WAVE METHOD; MOLECULAR-STRUCTURE; BASIS-SETS; FUNDAMENTAL EQUATIONS; HYDROGEN ADSORPTION; SWING ADSORPTION; COMPLEXES; MONOXIDE AB Six metal organic frameworks of the M-2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobdc(4-) = 2,5-dioxido-1,4-benzenedicarbox-ylate) structure type are demonstrated to bind carbon monoxide reversibly and at high capacity. Infrared spectra indicate that, upon coordination of CO to the divalent metal cations lining the pores within these frameworks, the C-O stretching frequency is blue-shifted, consistent with nonclassical metal-CO interactions. Structure determinations reveal M-CO distances ranging from 2.09(2) angstrom for M = Ni to 2.49(1) angstrom for M = Zn and M-C-O angles ranging from 161.2(7)degrees for M = Mg to 176.9(6) for M = Fe. Electronic structure calculations employing density functional theory (DFT) resulted in good agreement with the trends apparent in the infrared spectra and crystal structures. These results represent the first crystallographically characterized magnesium and zinc carbonyl compounds and the first high-spin manganese(II), iron(II), cobalt(II), and nickel(II) carbonyl species. Adsorption isotherms indicate reversible adsorption, with capacities for the Fe, Co, and Ni frameworks approaching one CO per metal cation site at 1 bar, corresponding to loadings as high as 6.0 mmol/g and 157 cm(3)/cm(3). The six frameworks display (negative) isosteric heats of CO adsorption ranging from 52.7 to 27.2 kJ/mol along the series Ni > Co > Fe > Mg > Mn > Zn, following the Irving Williams stability order. The reversible CO binding suggests that these frameworks may be of utility for the separation of CO from various industrial gas mixtures, including CO/H-2 and CO/N-2. Selectivities determined from gas adsorption isotherm data using ideal adsorbed solution theory (IAST) over a range of gas compositions at 1 bar and 298 K indicate that all six M-2(dobdc) frameworks could potentially be used as solid adsorbents to replace current cryogenic distillation technologies, with the choice of M dictating adsorbent regeneration energy and the level of purity of the resulting gases. C1 [Bloch, Eric D.; Mason, Jarad A.; Zadrozny, Joseph M.; Geier, Stephen J.; Smit, Berend; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hudson, Matthew R.; Queen, Wendy L.; Brown, Craig M.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Chavan, Sachin; Crocella, Valentina; Bordiga, Silvia] Univ Turin, NIS, Dept Chem, I-10135 Turin, Italy. [Chavan, Sachin; Crocella, Valentina; Bordiga, Silvia] Univ Turin, INSTM Ctr Reference, I-10135 Turin, Italy. [Howe, Joshua D.; Lee, Kyuho; Lin, Li-Chiang; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Howe, Joshua D.; Lee, Kyuho; Queen, Wendy L.; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Dzubak, Allison L.; Gagliardi, Laura] Univ Minnesota, Chem Theory Ctr, Dept Chem, Minneapolis, MN 55455 USA. [Dzubak, Allison L.; Gagliardi, Laura] Univ Minnesota, Supercomp Inst, Minneapolis, MN 55455 USA. [Brown, Craig M.] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. [Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy NanoSci Inst Berkeley, Berkeley, CA 94720 USA. RP Long, JR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM jrlong@berkeley.edu RI Lin, Li-Chiang/J-8120-2014; Smit, Berend/B-7580-2009; EFRC, CGS/I-6680-2012; Bordiga, Silvia/M-3875-2014; Stangl, Kristin/D-1502-2015; Zadrozny, Joseph/D-8206-2015; Brown, Craig/B-5430-2009; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Crocella, Valentina/E-5203-2016; Chavan, Sachin/B-8025-2014; Zadrozny, Joseph/A-1429-2017 OI Lin, Li-Chiang/0000-0002-2821-9501; Queen, Wendy/0000-0002-8375-2341; Smit, Berend/0000-0003-4653-8562; Bordiga, Silvia/0000-0003-2371-4156; Zadrozny, Joseph/0000-0002-1309-6545; Brown, Craig/0000-0002-9637-9355; Neaton, Jeffrey/0000-0001-7585-6135; Crocella, Valentina/0000-0002-3606-8424; Zadrozny, Joseph/0000-0002-1309-6545 FU Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]; Nanoporous Materials Genome Center of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-FG02-12ER16362]; MIUR-PRIN; Gerald K. Branch; Arkema; NIST/NRC; National Science Foundation; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX The experimental portion of this research was supported through the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award DE-SC0001015. Computational studies were supported through the Nanoporous Materials Genome Center of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Award Number DE-FG02-12ER16362. S.B., V.C., and S.C. acknowledge financial support from MIUR-PRIN (2010-2011). We thank Samuel Odoh for helpful discussions. We thank Gerald K. Branch and Arkema for fellowship support of E.D.B., the NIST/NRC Fellowship program for support of M.R.H., the National Science Foundation for fellowship support of J.A.M. Portions of this work were performed at the Molecular Foundry, supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 95 TC 37 Z9 40 U1 15 U2 162 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 30 PY 2014 VL 136 IS 30 BP 10752 EP 10761 DI 10.1021/ja505318p PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA AM2PS UT WOS:000339693900033 PM 24999916 ER PT J AU Nath, R Ranjith, KM Roy, B Johnston, DC Furukawa, Y Tsirlin, AA AF Nath, R. Ranjith, K. M. Roy, B. Johnston, D. C. Furukawa, Y. Tsirlin, A. A. TI Magnetic transitions in the spin-5/2 frustrated magnet BiMn2PO6 and strong lattice softening in BiMn2PO6 and BiZn2PO6 below 200 K SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; RELAXATION; NMR; LADDERS; ANTIFERROMAGNETICS; SUSCEPTIBILITY; CRYSTAL; SYSTEM; MN3O4; STATE AB The crystallographic, magnetic, and thermal properties of polycrystalline BiMn2PO6 and its nonmagnetic analog BiZn2PO6 are investigated by x-ray diffraction, magnetization M, magnetic susceptibility., heat capacity C-p, and P-31 nuclear magnetic resonance (NMR) measurements versus applied magnetic field H and temperature T as well as by density-functional band theory and molecular-field calculations. Both compounds show a strong monotonic lattice softening on cooling, where the Debye temperature decreases by a factor of two from Theta(D) similar to 650 K at T = 300 K to Theta(D) similar to 300 K at T = 2 K. The chi(T) data for BiMn2PO6 above 150 K follow a Curie-Weiss law with a Curie constant consistent with a Mn+2 spin S = 5/2 with g factor g = 2 and an antiferromagnetic (AFM) Weiss temperature theta(CW) similar or equal to -78 K. The. data indicate long-range AFM ordering below T-N similar or equal to 30 K, confirmed by a sharp lambda-shaped peak in C-p(T) at 28.8 K. The magnetic entropy at 100 K extracted from the C-p(T) data is consistent with spin S = 5/2 for the Mn+2 cations. The band-theory calculations indicate that BiMn2PO6 is an AFM compound with dominant interactions J(1)/k(B) similar or equal to 6.7 K and J(3)/k(B) similar or equal to 5.6 K along the legs and rungs of a Mn two-leg spin-ladder, respectively. However, sizable and partially frustrating interladder couplings lead to an anisotropic three-dimensional magnetic behavior with long-range AFM ordering at T-N similar or equal to 30 K observed in the chi, C-p, and NMR measurements. A second magnetic transition at approximate to 10 K is observed from the chi and NMR measurements but is not evident in the C-p data. The C-p data at low T suggest a significant contribution from AFM spin waves moving in three dimensions and the absence of a spin-wave gap. A detailed analysis of the NMR spectra indicates commensurate magnetic order between 10 and 30 K, while below 10 K additional features appear that may arise from an incommensurate modulation and/or spin canting. The commensurate order is consistent with microscopic density functional calculations that yield a collinear Neel-type AFM spin arrangement both within and between the ladders, despite the presence of multiple weak interactions frustrating this magnetic structure of the Mn spins. Frustration for AFM ordering and the one-dimensional spatial anisotropy of the three-dimensional spin interactions are manifested in the frustration ratio f = |theta(CW)|/T-N similar or equal to 2.6, indicating a suppression of T-N from 68 K in the absence of these effects to the observed value of about 30 K in BiMn2PO6. C1 [Nath, R.; Ranjith, K. M.] Indian Inst Sci Educ & Res, Sch Phys, Thiruvananthapuram 695016, Kerala, India. [Roy, B.; Johnston, D. C.; Furukawa, Y.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Roy, B.; Johnston, D. C.; Furukawa, Y.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Tsirlin, A. A.] NICPB, EE-12638 Tallinn, Estonia. RP Nath, R (reprint author), Indian Inst Sci Educ & Res, Sch Phys, Thiruvananthapuram 695016, Kerala, India. EM rnath@iisertvm.ac.in; altsirlin@gmail.com RI Nath, Ramesh/C-9345-2011; Tsirlin, Alexander/D-6648-2013 OI Tsirlin, Alexander/0000-0001-6916-8256 FU DST India; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. Department of Energy [DE-AC02-07CH11358]; European Union [MTT77]; Estonian Research Council [IUT23-3] FX R.N. and K. M. R. acknowledge financial support from DST India. The research at Ames Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. A. T. was funded by the European Union under Mobilitas Grant No. MTT77 and by the Estonian Research Council under Grant No. IUT23-3. NR 70 TC 9 Z9 9 U1 3 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 30 PY 2014 VL 90 IS 2 AR 024431 DI 10.1103/PhysRevB.90.024431 PG 18 WC Physics, Condensed Matter SC Physics GA AM6KR UT WOS:000339974200002 ER PT J AU Watanabe, H Parameswaran, SA Raghu, S Vishwanath, A AF Watanabe, Haruki Parameswaran, S. A. Raghu, S. Vishwanath, Ashvin TI Anomalous Fermi-liquid phase in metallic skyrmion crystals SO PHYSICAL REVIEW B LA English DT Article ID REAL-SPACE OBSERVATION; FILLED LANDAU-LEVEL; CHIRAL MAGNET; NORMAL-STATE; MNSI; LATTICE; TEMPERATURE; TRANSITIONS; DIMENSIONS AB In noncentrosymmetric crystals such as MnSi, magnetic order can take the form of a skyrmion crystal (SkX). In this phase, conduction electrons coupled to the local magnetic moments acquire a Berry phase, leading to an emergent electromagnetism. Motivated by experimental reports of a non-Fermi-liquid phase in MnSi, in which resistivity is observed to scale as Delta rho similar to T-3/2, here we examine the effect of coupling phonons of an incommensurate SkX to electrons. Despite the formal similarity to a system consisting of a Fermi surface coupled to an electromagnetic field, the Berry phase fluctuations do not lead to non-Fermi-liquid behavior. Instead, we propose a different mechanism in which electrons scatter off columnar fluctuation in a three-dimensional SkX. When the effects of lattice-induced anisotropy are neglected, these fluctuations are ultrasoft and induce an "anomalous Fermi liquid" in which Landau quasiparticles survive but with an anomalous Delta rho(T)similar to T-7/4 resistivity perpendicular to the columns, and a Fermi-liquid resistivity along them. C1 [Watanabe, Haruki; Parameswaran, S. A.; Vishwanath, Ashvin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Parameswaran, S. A.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Raghu, S.] Stanford Univ, Stanford Inst Theoret Phys, Stanford, CA 94305 USA. [Raghu, S.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Vishwanath, Ashvin] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. RP Watanabe, H (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. FU NSF [DMR 0645691]; Simons Postdoctoral Fellowship at UC Berkeley; DOE Office of Basic Energy Sciences [DE-AC02-76SF00515]; John Templeton Foundation; Alfred P. Sloan Foundation FX We thank T. Senthil, Oleg Tchernyshyov, Leo Radzihovsky, Steve Kivelson, Tomas Brauner, and Andrew Potter for useful discussions. We are particularly indebted to Max Metlitski for penetrating comments on an earlier version of this paper. A. V. is supported by NSF DMR 0645691. S. A. P. is supported by a Simons Postdoctoral Fellowship at UC Berkeley. S. R. acknowledges support from the DOE Office of Basic Energy Sciences, Contract No. DE-AC02-76SF00515, the John Templeton Foundation, and the Alfred P. Sloan Foundation. NR 48 TC 12 Z9 12 U1 3 U2 38 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 30 PY 2014 VL 90 IS 4 AR 045145 DI 10.1103/PhysRevB.90.045145 PG 8 WC Physics, Condensed Matter SC Physics GA AM6LC UT WOS:000339975400006 ER PT J AU Ahilan, K Imai, T Sefat, AS Ning, FL AF Ahilan, K. Imai, T. Sefat, A. S. Ning, F. L. TI NMR investigation of spin correlations in BaCo2As2 SO PHYSICAL REVIEW B LA English DT Article AB We use NMR techniques to investigate the magnetic properties of BaCo2As2 single crystals, the nonsuperconducting end member of the Co-substituted iron-pnictide high-T-c superconductor Ba(Fe1-xCox)(2)As-2 with x = 1. We present As-75 NMR evidence for enhancement of low frequency spin fluctuations below similar to 100 K. This enhancement is accompanied by that of static uniform spin susceptibility at the wave vector q = 0, suggesting that the primary channel of the spin correlations is ferromagnetic rather than antiferromagnetic. Comparison between the NMR Knight shift K-75 and bulk susceptibility chi(bulk) data uncovers the presence of two separate components of spin susceptibility with distinct temperature dependencies, presumably because multiple electronic bands crossing the Fermi energy play different roles in the electronic properties of BaCo2As2. C1 [Ahilan, K.; Imai, T.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. [Imai, T.] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. [Sefat, A. S.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Ning, F. L.] Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China. RP Ahilan, K (reprint author), McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. EM ningfl@zju.edu.cn RI Sefat, Athena/R-5457-2016 OI Sefat, Athena/0000-0002-5596-3504 FU NSERC; CIFAR; Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; National Basic Research Program of China [2014CB921203, 2011CBA00103]; NSF of China [11274268] FX The work at McMaster was supported by NSERC and CIFAR. The work at Oak Ridge National Laboratory was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. The work at Zhejiang was supported by National Basic Research Program of China (Grants No. 2014CB921203 and No. 2011CBA00103) and NSF of China (Grant No. 11274268). NR 30 TC 4 Z9 4 U1 4 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2014 VL 90 IS 1 AR 014520 DI 10.1103/PhysRevB.90.014520 PG 6 WC Physics, Condensed Matter SC Physics GA AO4LR UT WOS:000341310400007 ER PT J AU Kothapalli, K Kim, E Kolodziej, T Weck, PF Alp, EE Xiao, YM Chow, P Kenney-Benson, C Meng, Y Tkachev, S Kozlowski, A Lavina, B Zhao, YS AF Kothapalli, Karunakar Kim, Eunja Kolodziej, Tomasz Weck, Philippe F. Alp, Ercan E. Xiao, Yuming Chow, Paul Kenney-Benson, C. Meng, Yue Tkachev, Sergey Kozlowski, Andrzej Lavina, Barbara Zhao, Yusheng TI Nuclear forward scattering and first-principles studies of the iron oxide phase Fe4O5 SO PHYSICAL REVIEW B LA English DT Article ID AUGMENTED-WAVE METHOD; DIAMOND-ANVIL CELLS; CRYSTAL-STRUCTURE; MAGNETITE FE3O4; HIGH-PRESSURE; ENERGY; TEMPERATURES AB Fe-57-enriched Fe4O5 samples were synthesized in a laser-heated diamond anvil cell at a pressure of about 15 GPa and a temperature of about 2000 K. Nuclear forward scattering (NFS) spectra were collected in the range 0-40 GPa and were combined with first-principles calculations to provide insights into the magnetic properties of Fe4O5. NFS spectra show that strong magnetic interactions persist up to 40 GPa and that they are generated by a single magnetic contribution. The hyperfine magnetic field (B-hf) and quadrupole splitting (QS) are in the ranges 51-53 T and 0.40-1.2 mm s(-1), respectively. The QS shows an intriguing evolution with pressure, with a fast increase from 0.4 to 1.0 mm s(-1) between 0 and 10 GPa and a slow increase up to 1.2 mm s(-1) in the range 10-40 GPa. First-principles calculations suggest an antiferromagnetic ordering for the three sites, and similar magnetic moments in the range similar to 3.6-3.8 mu(B)/Fe. These values, typical of strongly correlated Fe magnetic systems, are in agreement with the experimental estimated average moment of similar to 3.8 mu(B)/Fe. The single contribution to the NFS spectrum and the similar calculated magnetic moments suggest that the iron atoms at the three crystallographic sites have similar electronic arrangements. C1 [Kothapalli, Karunakar; Lavina, Barbara; Zhao, Yusheng] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Kothapalli, Karunakar] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Kim, Eunja; Lavina, Barbara; Zhao, Yusheng] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Kolodziej, Tomasz; Kozlowski, Andrzej] AGH Univ Sci & Technol, Krakow, Poland. [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Alp, Ercan E.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Xiao, Yuming; Chow, Paul; Kenney-Benson, C.; Meng, Yue] Carnegie Inst Sci, Geophys Lab, High Pressure Collaborat Access Team, Argonne, IL 60439 USA. [Tkachev, Sergey] Univ Chicago, GSECARS, Argonne, IL 60439 USA. RP Kothapalli, K (reprint author), Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. EM kkothpalli@carnegiescience.edu RI Lavina, Barbara/A-1015-2010; OI Lavina, Barbara/0000-0002-8556-7916; , Philippe/0000-0002-7610-2893 FU High Pressure Science and Engineering Center (HiPSEC: a DOE/NNSA Center of Excellence) through DOE [DE-NA0001982]; Los Alamos National Laboratory within the Department of Energy's Fuel Cycle RD program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE-NNSA [DE-NA0001974]; DOE-BES [DE-FG02-99ER45775, DE-AC02-06CH11357]; NSF FX This research was sponsored in part by High Pressure Science and Engineering Center (HiPSEC: a DOE/NNSA Center of Excellence) through DOE Cooperative Agreement No. DE-NA0001982. E.K. acknowledges funding through a subcontract with Los Alamos National Laboratory within the Department of Energy's Fuel Cycle R&D program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974 and by DOE-BES under Award No. DE-FG02-99ER45775, with partial instrumentation funding by NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. NR 29 TC 2 Z9 2 U1 2 U2 39 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2014 VL 90 IS 2 AR 024430 DI 10.1103/PhysRevB.90.024430 PG 5 WC Physics, Condensed Matter SC Physics GA AO4LS UT WOS:000341310600004 ER PT J AU Wang, HW Solovyev, IV Wang, WB Wang, X Ryan, PJ Keavney, DJ Kim, JW Ward, TZ Zhu, LY Shen, J Cheng, XM He, LX Xu, XS Wu, XF AF Wang, Hongwei Solovyev, Igor V. Wang, Wenbin Wang, Xiao Ryan, Philip J. Keavney, David J. Kim, Jong-Woo Ward, Thomas Z. Zhu, Leyi Shen, Jian Cheng, X. M. He, Lixin Xu, Xiaoshan Wu, Xifan TI Structural and electronic origin of the magnetic structures in hexagonal LuFeO3 SO PHYSICAL REVIEW B LA English DT Article ID WEAK FERROMAGNETISM; DIFFRACTION AB Using combined theoretical and experimental approaches, we studied the structural and electronic origin of the magnetic structure in hexagonal LuFeO3. Besides showing the strong exchange coupling that is consistent with the high magnetic ordering temperature, the previously observed spin reorientation transition is explained by the theoretically calculated magnetic phase diagram. The structural origin of this spin reorientation that is responsible for the appearance of spontaneous magnetization, is identified by theory and verified by x-ray diffraction and absorption experiments. C1 [Wang, Hongwei; Wu, Xifan] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Wang, Hongwei; He, Lixin] Univ Sci & Technol China, Key Lab Quantum Informat, Hefei 230026, Anhui, Peoples R China. [Solovyev, Igor V.] Natl Inst Mat Sci, Computat Mat Sci Unit, Tsukuba, Ibaraki 3050047, Japan. [Wang, Wenbin; Shen, Jian] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. [Wang, Xiao; Cheng, X. M.; Xu, Xiaoshan] Bryn Mawr Coll, Dept Phys, Bryn Mawr, PA 19010 USA. [Ryan, Philip J.; Keavney, David J.; Kim, Jong-Woo] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Ward, Thomas Z.; Xu, Xiaoshan] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhu, Leyi] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Xu, Xiaoshan] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. RP Xu, XS (reprint author), Bryn Mawr Coll, Dept Phys, Bryn Mawr, PA 19010 USA. EM xiaoshan.xu@unl.edu; xifanwu@temple.edu RI Solovyev, Igor/B-1320-2010; Cheng, Xuemei/D-2388-2010; Xu, Xiaoshan/B-1255-2009; Ward, Thomas/I-6636-2016 OI Solovyev, Igor/0000-0002-2010-9877; Cheng, Xuemei/0000-0001-6670-4316; Xu, Xiaoshan/0000-0002-4363-392X; Ward, Thomas/0000-0002-1027-9186 FU Air Force Office of Scientific Research [FA9550-13-1-0124]; National Energy Research Scientific Computing Center; National Science Foundation [TG-DMR120045, 1053854]; US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; National Basic Research Program of China (973 Program) [2011CB921801]; National Natural Science Funds of China [11374275]; US DOE Office of Basic Energy Sciences [DE-SC0002136]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work is supported by Air Force Office of Scientific Research under Grant No. FA9550-13-1-0124 (X.W.). Computational support is provided by the National Energy Research Scientific Computing Center and by the National Science Foundation through XSEDE resources provided by the XSEDE Science Gateways program (Award No. TG-DMR120045). Research was supported by the US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (T.Z.W. and X.S.X.). We also acknowledge partial funding support from the National Basic Research Program of China (973 Program) under Grant No. 2011CB921801 (J.S.), from the National Natural Science Funds of China, Grant No. 11374275 (L.H.) and from the US DOE Office of Basic Energy Sciences, Grant No. DE-SC0002136 (W. B. W.). Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. X.M.C. acknowledges support from the National Science Foundation under Grant No. 1053854. X.W. is grateful for useful discussions with Andrei Malashevich, Craig Fennie, Weida Wu, and David Vanderbilt. NR 36 TC 15 Z9 15 U1 8 U2 63 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2014 VL 90 IS 1 AR 014436 DI 10.1103/PhysRevB.90.014436 PG 5 WC Physics, Condensed Matter SC Physics GA AO4LR UT WOS:000341310400002 ER PT J AU Allmond, JM Stuchbery, AE Brown, BA Beene, JR Galindo-Uribarri, A Gross, CJ Liang, JF Padilla-Rodal, E Radford, DC Varner, RL Ayres, A Batchelder, JC Bey, A Bingham, CR Howard, ME Jones, KL Manning, B Mueller, PE Nesaraja, CD Pain, SD Peters, WA Ratkiewicz, A Schmitt, KT Shapira, D Smith, MS Stone, NJ Stracener, DW Yu, CH AF Allmond, J. M. Stuchbery, A. E. Brown, B. A. Beene, J. R. Galindo-Uribarri, A. Gross, C. J. Liang, J. F. Padilla-Rodal, E. Radford, D. C. Varner, R. L. Ayres, A. Batchelder, J. C. Bey, A. Bingham, C. R. Howard, M. E. Jones, K. L. Manning, B. Mueller, P. E. Nesaraja, C. D. Pain, S. D. Peters, W. A. Ratkiewicz, A. Schmitt, K. T. Shapira, D. Smith, M. S. Stone, N. J. Stracener, D. W. Yu, C. -H. TI 2 pi 1v states populated in Te-135 from Be-9-induced reactions with a Sn-132 beam SO PHYSICAL REVIEW C LA English DT Article ID NUCLEI AB gamma-ray transitions in Te-134, Te-135, and Te-136 were measured from Be-9-induced reactions with a radioactive Sn-132 beam at a sub-Coulomb barrier energy of 3 MeV per nucleon using particle-gamma coincidence spectroscopy. The transitions were selected by gating on alpha-like particles in a CsI detector following a combination of (Be-9,alpha 1n), (Be-9,alpha 2n), and (Be-9,alpha 3n) incomplete fusion-evaporation reactions. Distorted-wave Born approximation calculations suggest little to no contribution from the (Be-9, He-7), (Be-9, He-6), and (Be-9, He-5) direct reactions. gamma-ray transitions from previously known 2(+) circle times v 2f(7/2) and 4(+) circle times v 2f(7/2) multiplet members in Te-135 are observed. A new gamma ray is observed, assigned to the third-excited state in Te-135, and new 2(+) circle times v 2f(7/2) multiplet members are suggested. In addition, spin assignments are made by using recent one-neutron transfer data. The updated experimental data for Te-135 are compared to shell-model calculations for a relatively complete set of states up to the yrast 15/2(-), 4(+) circle times v 2f(7/2) multiplet member at 1505 keV. C1 [Allmond, J. M.] Oak Ridge Natl Lab, JINPA, Oak Ridge, TN 37831 USA. [Stuchbery, A. E.] Australian Natl Univ, Dept Nucl Phys, Canberra, ACT 0200, Australia. [Brown, B. A.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Brown, B. A.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Beene, J. R.; Galindo-Uribarri, A.; Gross, C. J.; Liang, J. F.; Radford, D. C.; Varner, R. L.; Bingham, C. R.; Mueller, P. E.; Nesaraja, C. D.; Pain, S. D.; Schmitt, K. T.; Shapira, D.; Smith, M. S.; Stracener, D. W.; Yu, C. -H.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Galindo-Uribarri, A.; Ayres, A.; Bey, A.; Bingham, C. R.; Jones, K. L.; Schmitt, K. T.; Stone, N. J.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Padilla-Rodal, E.] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico. [Batchelder, J. C.] Oak Ridge Associated Univ, UNIRIB, Oak Ridge, TN 37831 USA. [Howard, M. E.; Manning, B.; Ratkiewicz, A.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Peters, W. A.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA. [Stone, N. J.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. RP Allmond, JM (reprint author), Oak Ridge Natl Lab, JINPA, Oak Ridge, TN 37831 USA. RI Peters, William/B-3214-2012; radford, David/A-3928-2015; Jones, Katherine/B-8487-2011; Pain, Steven/E-1188-2011; OI Peters, William/0000-0002-3022-4924; Jones, Katherine/0000-0001-7335-1379; Pain, Steven/0000-0003-3081-688X; Allmond, James Mitchell/0000-0001-6533-8721 FU Office of Nuclear Physics; U.S. Department of Energy; Australian Research Council [DP0773273]; NSF [PHY-1068217]; CONACyT (Mexico) [CB103366]; National Science Foundation; U.S. DOE [DE-AC05-76OR00033, DE-FG02-96ER40963, DE-FG52-08NA28552] FX The authors thank the HRIBF operations staff for developing and providing the stable and radioactive beams used in this study. This research was sponsored by the Office of Nuclear Physics, U.S. Department of Energy, by the Australian Research Council under Grant No. DP0773273, by the NSF under Grant No. PHY-1068217, by CONACyT (Mexico) under Grant No. CB103366, and by the National Science Foundation. This work was also supported in part by the U.S. DOE under Contracts No. DE-AC05-76OR00033 (UNIRIB), No. DE-FG02-96ER40963 (UTK), and No. DE-FG52-08NA28552 (Rutgers). NR 21 TC 1 Z9 1 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 29 PY 2014 VL 90 IS 1 AR 014322 DI 10.1103/PhysRevC.90.014322 PG 5 WC Physics, Nuclear SC Physics GA AO4MB UT WOS:000341311700001 ER PT J AU Burke, KM Buzzatti, A Chang, NB Gale, C Gyulassy, M Heinz, U Jeon, S Majumder, A Mueller, B Qin, GY Schenke, B Shen, C Wang, XN Xu, JC Young, C Zhang, HZ AF Burke, Karen M. Buzzatti, Alessandro Chang, Ningbo Gale, Charles Gyulassy, Miklos Heinz, Ulrich Jeon, Sangyong Majumder, Abhijit Mueller, Berndt Qin, Guang-You Schenke, Bjoern Shen, Chun Wang, Xin-Nian Xu, Jiechen Young, Clint Zhang, Hanzhong CA JET Collaboration TI Extracting the jet transport coefficient from jet quenching in high-energy heavy-ion collisions SO PHYSICAL REVIEW C LA English DT Article ID MULTIPLE PARTON SCATTERING; PB-PB COLLISIONS; ROOT-S(NN)=2.76 TEV; GLUON RADIATION; CENTRALITY DEPENDENCE; MOMENTUM DEPENDENCE; TRANSVERSE-MOMENTUM; HADRON SPECTRA; HARD PROCESSES; PP COLLISIONS AB Within five different approaches to parton propagation and energy loss in dense matter, a phenomenological study of experimental data on suppression of large-p(T) single inclusive hadrons in heavy-ion collisions at both the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC) was carried out. The evolution of bulk medium used in the study for parton propagation was given by 2 + 1 dimensional or 3 + 1 dimensional hydrodynamic models which are also constrained by experimental data on bulk hadron spectra. Values for the jet transport parameter (q) over cap at the center of the most central heavy-ion collisions are extracted or calculated within each model, with parameters for the medium properties that are constrained by experimental data on the hadron suppression factor R-AA. For a quark with initial energy of 10 GeV we find that (q) over cap approximate to 1.2 +/- 0.3 GeV2/fm at an initial time tau(0) = 0.6 fm/c in Au + Au collisions at root s = 200 GeV/n and (q) over cap approximate to 1.9 +/- 0.7 GeV2/fm in Pb + Pb collisions at root s = 2.76 TeV/n. Compared to earlier studies, these represent significant convergence on values of the extracted jet transport parameter due to new constraints provided by recent experiment data from the LHC. C1 [Burke, Karen M.; Majumder, Abhijit; Qin, Guang-You] Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. [Buzzatti, Alessandro; Wang, Xin-Nian] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Chang, Ningbo; Qin, Guang-You; Wang, Xin-Nian; Zhang, Hanzhong] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Chang, Ningbo; Qin, Guang-You; Wang, Xin-Nian; Zhang, Hanzhong] Cent China Normal Univ, Key Lab Quarks & Lepton Phys MOE, Wuhan 430079, Peoples R China. [Gale, Charles; Jeon, Sangyong] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Gyulassy, Miklos; Xu, Jiechen] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Heinz, Ulrich; Shen, Chun] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Mueller, Berndt; Schenke, Bjoern] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Young, Clint] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. RP Wang, XN (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, MS 70R0319, Berkeley, CA 94720 USA. EM xnwang@lbl.gov OI Wang, Xin-Nian/0000-0002-9734-9967 FU Director, Office of Energy Research, Office of High Energy and Nuclear Physics, Division of Nuclear Physics, of the U.S. Department of Energy within the framework of the JET Collaboration [DE-AC02-05CH11231, DE-FG02-93ER40764, DE-AC02-98CH10886, DE-SC0004286]; NSF [PHY-1207918]; Natural Sciences and Engineering Research Council of Canada; Major State Basic Research Development Program in China [2014CB845404]; National Natural Science Foundation of China [11221504, 11375072, 11175071, 11035003]; Ministry of Science and Technology of China [0S2014GR0098] FX We would like to thank discussions with other members of the JET Collaboration. This work was supported by the Director, Office of Energy Research, Office of High Energy and Nuclear Physics, Division of Nuclear Physics, of the U.S. Department of Energy under Contracts No. DE-AC02-05CH11231, No. DE-FG02-93ER40764, No. DE-AC02-98CH10886, and No. DE-SC0004286 within the framework of the JET Collaboration; by the NSF under Grant No. PHY-1207918; by the Natural Sciences and Engineering Research Council of Canada; by the Major State Basic Research Development Program in China (No. 2014CB845404); by the National Natural Science Foundation of China under Grants No. 11221504, No. 11375072, No. 11175071, and No. 11035003; and by the Ministry of Science and Technology of China under Grant No. 0S2014GR0098. NR 110 TC 66 Z9 66 U1 1 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD JUL 29 PY 2014 VL 90 IS 1 AR 014909 DI 10.1103/PhysRevC.90.014909 PG 13 WC Physics, Nuclear SC Physics GA AO4MB UT WOS:000341311700004 ER PT J AU Sokolov, DA Aronson, MC Wu, L Zhu, Y Nelson, C Mansfield, JF Sun, K Erwin, R Lynn, JW Lumsden, M Nagler, SE AF Sokolov, D. A. Aronson, M. C. Wu, L. Zhu, Y. Nelson, C. Mansfield, J. F. Sun, K. Erwin, R. Lynn, J. W. Lumsden, M. Nagler, S. E. TI Neutron, electron, and x-ray scattering investigation of Cr1-xVx near quantum criticality SO PHYSICAL REVIEW B LA English DT Article ID SPIN-DENSITY-WAVE; PHASE-TRANSITION; CHROMIUM-ALLOYS; STRAIN WAVE; ANTIFERROMAGNETISM; SUPERCONDUCTIVITY; SUPPRESSION; SR3RU2O7; CHARGE; METAL AB The weakness of electron-electron correlations in the itinerant antiferromagnet Cr doped with V has long been considered the reason that neither new collective electronic states nor even non-Fermi-liquid behavior are observed when antiferromagnetism in Cr1-xVx is suppressed to zero temperature. We present the results of neutron and electron diffraction measurements of several lightly doped single crystals of Cr1-xVx in which the archetypal spin density wave instability is progressively suppressed as the V content increases, freeing the nesting-prone Fermi surface for a new striped charge instability that occurs at x(c) = 0.037. This novel nesting driven instability relieves the entropy accumulation associated with the suppression of the spin density wave and avoids the formation of a quantum critical point by stabilizing a new type of charge order at temperatures in excess of 400 K. Restructuring of the Fermi surface near quantum critical points is a feature found in materials as diverse as heavy fermions, high-temperature copper oxide superconductors and now even elemental metals such as Cr. C1 [Sokolov, D. A.; Aronson, M. C.; Wu, L.; Zhu, Y.; Nelson, C.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Aronson, M. C.; Zhu, Y.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Mansfield, J. F.; Sun, K.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48090 USA. [Erwin, R.; Lynn, J. W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Lumsden, M.; Nagler, S. E.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Sokolov, DA (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM dsokolov@staffmail.ed.ac.uk RI Sokolov, D/G-7755-2011; Nagler, Stephen/E-4908-2010; Lumsden, Mark/F-5366-2012 OI Nagler, Stephen/0000-0002-7234-2339; Lumsden, Mark/0000-0002-5472-9660 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH1886, DE-AC02-98CH10886]; National Science Foundation [EAR-99-11352]; National Institute of Standards and Technology, U.S. Department of Commerce; U.S. Department of Energy, Office of Basic Energy Sciences, Scientific User Facilities Division FX D.A.S. and M.C.A. would like to thank A. M. Tsvelik, J. Tranquada, T. M. Rice and S. M. Shapiro for useful discussions. Work at BNL was carried out under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences under Contracts No. DE-AC02-98CH1886 (M.C.A. and D.A.S.) and DE-AC02-98CH10886 (Y.Z. and C.N.). Work at ORNL (M.L. and S.E.N.) was carried out under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Scientific User Facilities Division. The electron microprobe at the University of Michigan used in this study was partially funded by Grant No. EAR-99-11352 from the National Science Foundation. We acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce in providing the neutron research facilities used in this work. Identification of commercial equipment in the text is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology. NR 35 TC 1 Z9 1 U1 5 U2 24 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2014 VL 90 IS 3 AR 035139 DI 10.1103/PhysRevB.90.035139 PG 6 WC Physics, Condensed Matter SC Physics GA AO4LU UT WOS:000341310900002 ER PT J AU Khajeh, JA Ju, JH Atchiba, M Allaire, M Stanley, C Heller, WT Callaway, DJE Bu, ZM AF Khajeh, Jahan Ali Ju, Jeong Ho Atchiba, Moussoubaou Allaire, Marc Stanley, Christopher Heller, William T. Callaway, David J. E. Bu, Zimei TI Molecular Conformation of the Full-Length Tumor Suppressor NF2/Merlin-A Small-Angle Neutron Scattering Study SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE Merlin; phosphatidylinositol 4,5-bisphosphate; Ezrin; small-angle neutron scattering; neurofibromatosis type 2 ID TRANSMEMBRANE CONDUCTANCE REGULATOR; MEDIATES CONTACT INHIBITION; SPIN-ECHO SPECTROSCOPY; PROTEIN DOMAIN MOTION; MERLIN FERM DOMAIN; C-TERMINAL DOMAIN; X-RAY-SCATTERING; GENE-PRODUCT; STRUCTURAL BASIS; ACTIN-BINDING AB The tumor suppressor protein Merlin inhibits cell proliferation upon establishing cell cell contacts. Because Merlin has high level of sequence similarity to the Ezrin-Radixin-Moesin family of proteins, the structural model of Ezrin-Radixin-Moesin protein autoinhibition and cycling between closed/resting and open/active conformational states is often employed to explain Merlin function. However, recent biochemical studies suggest alternative molecular models of Merlin function. Here, we have determined the low-resolution molecular structure and binding activity of Merlin and a Merlin(S518D) mutant that mimics the inactivating phosphorylation at S518 using small-angle neutron scattering and binding experiments. Small-angle neutron scattering shows that, in solution, both Merlin and Merlin(S518D) adopt a closed conformation, but binding experiments indicate that a significant fraction of either Merlin or Merlin(S518D) is capable of binding to the target protein NHERF1. Upon binding to the phosphatidylinositol 4,5-bisphosphate lipid, the wild-type Merlin adopts a more open conformation than in solution, but Merlin(S518D) remains in a closed conformation. This study supports a rheostat model of Merlin in NHERF1 binding and contributes to resolving a controversy about the molecular conformation and binding activity of Merlin. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Khajeh, Jahan Ali; Ju, Jeong Ho; Atchiba, Moussoubaou; Callaway, David J. E.; Bu, Zimei] CUNY City Coll, Dept Chem, New York, NY 10031 USA. [Khajeh, Jahan Ali; Ju, Jeong Ho; Atchiba, Moussoubaou; Callaway, David J. E.; Bu, Zimei] CUNY, Grad Ctr, New York, NY USA. [Allaire, Marc] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Stanley, Christopher; Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. RP Bu, ZM (reprint author), CUNY City Coll, Dept Chem, 160 Convent Ave,Marshak Sci Bldg,Room 1305, New York, NY 10031 USA. EM zbu@ccny.cuny.edu OI Stanley, Christopher/0000-0002-4226-7710 FU National Institutes of Health [R01HL086496]; National Center for Research Resources [2G12 RR003060]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported in part by National Institutes of Health Grant R01HL086496 (Z.B.) and National Center for Research Resources Grant 2G12 RR003060 to City College of New York. A portion of the research conducted at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We thank Tong Liang and Farhad Forouhar for kindly granting access to the ITC equipment at Columbia University. NR 66 TC 2 Z9 2 U1 0 U2 12 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 EI 1089-8638 J9 J MOL BIOL JI J. Mol. Biol. PD JUL 29 PY 2014 VL 426 IS 15 BP 2755 EP 2768 DI 10.1016/j.jmb.2014.05.011 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AN0VS UT WOS:000340302700005 ER PT J AU Champion, C Quinto, MA Bug, MU Baek, WY Weck, PF AF Champion, Christophe Quinto, Michele A. Bug, Marion U. Baek, Woon Y. Weck, Philippe F. TI Theoretical and experimental quantification of doubly and singly differential cross sections for electron-induced ionization of isolated tetrahydrofuran molecules SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article ID IMPACT IONIZATION; DNA; SCATTERING; RNA; ION AB Electron-induced ionization of the tetrahydrofuran molecule, the commonly used surrogate of the DNA sugar-phosphate backbone, is theoretically described in this study within the 1st Born approximation. Comparisons between theory and recent experiments are reported in terms of doubly and singly differential cross sections. C1 [Champion, Christophe; Quinto, Michele A.] Univ Bordeaux, CNRS IN2P3, CENBG, F-33175 Gradignan, France. [Bug, Marion U.; Baek, Woon Y.] PTB, Braunschweig, Germany. [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Champion, C (reprint author), Univ Bordeaux, CNRS IN2P3, CENBG, Chemin Solarium,BP 120, F-33175 Gradignan, France. EM champion@cenbg.in2p3.fr OI , Philippe/0000-0002-7610-2893 FU Centre National de la Recherche Scientifique [PICS 5921 (THEOS)]; EURAMET; European Union; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work has been developed as part of the activities planned in the project PICS 5921 (THEOS) of the Centre National de la Recherche Scientifique. Besides, C.C. and M.A.Q. would like to thank P. Senot (Univ. Lorraine) for his kind assistance in the numerical developments and for the free computer time provided. The experimental work was carried out within EMRP Joint Research Project SIB06 BioQuaRT. The EMRP is jointly funded by the EMRP participating countries within EURAMET and the European Union. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 25 TC 3 Z9 3 U1 1 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6060 EI 1434-6079 J9 EUR PHYS J D JI Eur. Phys. J. D PD JUL 29 PY 2014 VL 68 IS 7 AR 205 DI 10.1140/epjd/e2014-40829-8 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA AM6CO UT WOS:000339949200004 ER PT J AU Rajeev, L Luning, EG Altenburg, S Zane, GM Baidoo, EEK Catena, M Keasling, JD Wall, JD Fields, MW Mukhopadhyay, A AF Rajeev, Lara Luning, Eric G. Altenburg, Sara Zane, Grant M. Baidoo, Edward E. K. Catena, Michela Keasling, Jay D. Wall, Judy D. Fields, Mathhew W. Mukhopadhyay, Aindrila TI Identification of a cyclic-di-GMP-modulating response regulator that impacts biofilm formation in a model sulfate reducing bacterium SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE cyclic-di-GMP; biofilm; Desulfovibrio; HD-GYP; GGDEF; GGDEF-EAL; response regulator; two-component system ID DESULFOVIBRIO-VULGARIS HILDENBOROUGH; HD-GYP; XANTHOMONAS-CAMPESTRIS; ESCHERICHIA-COLI; OUTPUT DOMAIN; PSEUDOMONAS-AERUGINOSA; PROTEIN DOMAIN; EAL DOMAINS; GGDEF; MOTILITY AB We surveyed the eight putative cyclic-di-GMP-modulating response regulators (RRs) in Desulfovibrio vulgaris Hildenborough that are predicted to function via two-component signaling. Using purified proteins, we examined cyclic-di-GMP (c-di-GMP) production or turnover in vitro of all eight proteins. The two RRs containing only GGDEF domains (DVU2067, DVU0636) demonstrated c-di-GMP production activity in vitro. Of the remaining proteins, three RRs with HD-GYP domains (DVU0722, DVUA0086, and DVU2933) were confirmed to be Mn2+-dependent phosphodiesterases (PDEs) in vitro and converted c-di-GMP to its linear form, pGpG. DVU0408, containing both c-di-GMP production (GGDEF) and degradation domains (EAL), showed c-di-GMP turnover activity in vitro also with production of pGpG. No c-di-GMP related activity could be assigned to the RR DVUO330, containing a metal-dependent phosphohydrolase HD-OD domain, or to the HD-GYP domain RR, DVU1181. Studies included examining the impact of overexpressed cyclic-di-GM P-modulating RRs in the heterologous host E. coli and led to the identification of one RR, DVU0636, with increased cellulose production. Evaluation of a transposon mutant in DVU0636 indicated that the strain was impaired in biofilm formation and demonstrated an altered carbohydrate:protein ratio relative to the D. vulgaris wild type biofilms. However, grown in liquid lactate/sulfate medium, the DVU0636 transposon mutant showed no growth impairment relative to the wild-type strain. Among the eight candidates, only the transposon disruption mutant in the DVU2067 RR presented a growth defect in liquid culture. Our results indicate that, of the two diguanylate cyclases (DGCs) that function as part of two-component signaling, DVU0636 plays an important role in biofilm formation while the function of DVU2067 has pertinence in planktonic growth. C1 [Rajeev, Lara; Luning, Eric G.; Baidoo, Edward E. K.; Catena, Michela; Keasling, Jay D.; Mukhopadhyay, Aindrila] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Altenburg, Sara; Fields, Mathhew W.] Montana State Univ, Ctr Biofilm Engn, Bozeman, MT 59717 USA. [Zane, Grant M.; Wall, Judy D.] Univ Missouri, Dept Biochem, Columbia, MO USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Fields, Mathhew W.] Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA. RP Mukhopadhyay, A (reprint author), Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM amukhopadhyay@lbl.gov RI Keasling, Jay/J-9162-2012; OI Keasling, Jay/0000-0003-4170-6088; Rajeev, Lara/0000-0002-0106-9195 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics: GTL Foundational Science [DE-AC02-05CH11231]; U.S. Department of Energy; U.S. Department of Energy Office of Science, Office of Biological and Environmental Research, Genomics Program:GTL BioHydrogen Production and BioEthanol [DE-FG02-08346469] FX We would like to thank Amy Chen and Kavya Siddartha for technical assistance. This work is part of ENIGMA, a Scientific Focus Area Program supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics: GTL Foundational Science through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. A portion of this work was supported by the U.S. Department of Energy Office of Science, Office of Biological and Environmental Research, Genomics Program:GTL BioHydrogen Production and BioEthanol contract DE-FG02-08346469. NR 58 TC 3 Z9 3 U1 1 U2 17 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 29 PY 2014 VL 5 AR 382 DI 10.3389/fmicb.2014.00382 PG 13 WC Microbiology SC Microbiology GA AM7HR UT WOS:000340037100002 PM 25120537 ER PT J AU Shoemaker, DP Hu, YJ Chung, DY Halder, GJ Chupas, PJ Soderholm, L Mitchell, JF Kanatzidis, MG AF Shoemaker, Daniel P. Hu, Yung-Jin Chung, Duck Young Halder, Gregory J. Chupas, Peter J. Soderholm, L. Mitchell, J. F. Kanatzidis, Mercouri G. TI In situ studies of a platform for metastable inorganic crystal growth and materials discovery SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article ID DIMENSIONAL METAL; VALENCE; SULFIDES; DIFFRACTION; PRINCIPLES; FLUXES; OXIDES AB Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design. C1 [Shoemaker, Daniel P.; Chung, Duck Young; Mitchell, J. F.; Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Hu, Yung-Jin; Soderholm, L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Halder, Gregory J.; Chupas, Peter J.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Kanatzidis, MG (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM m-kanatzidis@northwestern.edu RI Halder, Gregory/C-5357-2013 FU US Department of Energy, Office of Basic Energy Sciences, Materials Science and Engineering Division [DE-AC02-06CH11357] FX Research at Argonne National Laboratory and use of the Advanced Photon Source (beamlines 11-BM and 17-BM) is supported by the US Department of Energy, Office of Basic Energy Sciences, Materials Science and Engineering Division, under Contract DE-AC02-06CH11357. NR 39 TC 15 Z9 15 U1 10 U2 49 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 29 PY 2014 VL 111 IS 30 BP 10922 EP 10927 DI 10.1073/pnas.1406211111/-/DCSupplemental PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL9YT UT WOS:000339500200025 PM 25024201 ER PT J AU Kim, T Liu, ZF Lee, C Neaton, JB Venkataraman, L AF Kim, Taekyeong Liu, Zhen-Fei Lee, Chulho Neaton, Jeffrey B. Venkataraman, Latha TI Charge transport and rectification in molecular junctions formed with carbon-based electrodes SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE molecular circuits; graphite electrodes; density functional theory ID METAL WORK FUNCTION; SINGLE; CONDUCTANCE; GRAPHENE; AU; RESISTANCE; DIFFUSION; CONTACTS; DIODE; AG AB Molecular junctions formed using the scanning-tunneling-microscope-based break-junction technique (STM-BJ) have provided unique insight into charge transport at the nanoscale. In most prior work, the same metal, typically Au, Pt, or Ag, is used for both tip and substrate. For such noble metal electrodes, the density of electronic states is approximately constant within a narrow energy window relevant to charge transport. Here, we form molecular junctions using the STM-BJ technique, with an Au metal tip and a microfabricated graphite substrate, and measure the conductance of a series of graphite/amine-terminated oligophenyl/Au molecular junctions. The remarkable mechanical strength of graphite and the single-crystal properties of our substrates allow measurements over few thousand junctions without any change in the surface properties. We show that conductance decays exponentially with molecular backbone length with a decay constant that is essentially the same as that for measurements with two Au electrodes. More importantly, despite the inherent symmetry of the oligophenylamines, we observe rectification in these junctions. State-of-art ab initio conductance calculations are in good agreement with experiment, and explain the rectification. We show that the highly energy-dependent graphite density of states contributes variations in transmission that, when coupled with an asymmetric voltage drop across the junction, leads to the observed rectification. Together, our measurements and calculations show how functionality may emerge from hybrid molecular-scale devices purposefully designed with different electrodes beyond the so-called "wide band limit," opening up the possibility of assembling molecular junctions with dissimilar electrodes using layered 2D materials. C1 [Kim, Taekyeong; Venkataraman, Latha] Columbia Univ, Dept Appl Phys & Math, New York, NY 10027 USA. [Kim, Taekyeong] Hankuk Univ Foreign Studies, Dept Phys, Yongin 449791, South Korea. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, Berkeley, CA 94720 USA. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Lee, Chulho] Columbia Univ, Dept Phys, New York, NY 10027 USA. RP Neaton, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, Berkeley, CA 94720 USA. EM jbneaton@lbl.gov; lv2117@columbia.edu RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Liu, Zhenfei/D-8980-2017; OI Neaton, Jeffrey/0000-0001-7585-6135; Venkataraman, Latha/0000-0002-6957-6089 FU National Science Foundation [DMR-1122594]; US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231]; Molecular Foundry through the US Department of Energy, Office of Basic Energy Sciences [DE-AC02-05CH11231]; Packard Foundation FX The experimental part of this work is supported by the National Science Foundation under Award DMR-1122594. The computational part of this work is supported by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract DE-AC02-05CH11231. Portions of this work were also supported by the Molecular Foundry through the US Department of Energy, Office of Basic Energy Sciences under the same contract number. Portions of the computational work were done at the National Energy Research Scientific Computing Center. L. V. thanks the Packard Foundation for support. NR 38 TC 31 Z9 31 U1 5 U2 73 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 29 PY 2014 VL 111 IS 30 BP 10928 EP 10932 DI 10.1073/pnas.1406926111/-/DCSupplemental PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL9YT UT WOS:000339500200026 PM 25024198 ER PT J AU Yanga, Z Deng, LZ Lan, YC Zhang, XL Gao, ZH Chu, CW Cai, D Ren, ZF AF Yanga, Zhen Deng, Liangzi Lan, Yucheng Zhang, Xiaoliu Gao, Zhonghong Chu, Ching-Wu Cai, Dong Ren, Zhifeng TI Molecular extraction in single live cells by sneaking in and out magnetic nanomaterials SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE single-cell method; real-time detection; drug screening ID CARBON NANOTUBES; MAMMALIAN-CELLS; DYNAMICS; DELIVERY; TYROSINE; FILMS; CHIP AB Extraction of intracellular molecules is crucial to the study of cellular signal pathways. Disruption of the cellular membrane remains the established method to release intracellular contents, which inevitably terminates the time course of biological processes. Also, conventional laboratory extractions mostly use bulky materials that ignore the heterogeneity of each cell. In this work, we developed magnetized carbon nanotubes that can be sneaked into and out of cell bodies under a magnetic force. Using a testing model with overexpression of GFP, the nanotubes successfully transported the intracellular GFP out at the single-cell level. The confined nanoscale invasiveness did not change cell viability or proliferation. This study presents the proof of concept of a previously unidentified real-time and single-cell approach to investigate cellular biology, signal messengers, and therapeutic effects with nanomaterials. C1 [Yanga, Zhen; Deng, Liangzi; Lan, Yucheng; Chu, Ching-Wu; Cai, Dong; Ren, Zhifeng] Univ Houston, Texas Ctr Superconduct, Dept Phys, Houston, TX 77204 USA. [Yanga, Zhen; Gao, Zhonghong] Huazhong Univ Sci & Technol, Sch Chem & Chem Engn, Wuhan 430074, Peoples R China. [Zhang, Xiaoliu] Univ Houston, Ctr Nucl Receptors & Cell Signaling, Houston, TX 77204 USA. [Chu, Ching-Wu] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Chu, CW (reprint author), Univ Houston, Texas Ctr Superconduct, Dept Phys, Houston, TX 77204 USA. EM cwchu@uh.edu; dcai@uh.edu; zren@uh.edu RI Lan, Yucheng/F-9501-2011; OI Lan, Yucheng/0000-0002-6737-4168; Deng, Liangzi/0000-0002-5379-2772 FU US Air Force Office of Scientific Research Grant [FA9550-09-1-0656]; T. L. L. Temple Foundation; John J. and Rebecca Moores Endowment; State of Texas through the Texas Center for Superconductivity at the University of Houston FX Ms. Na Yin (School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology) conducted flow cytometry measurements. The work in Houston is supported in part by US Air Force Office of Scientific Research Grant FA9550-09-1-0656, the T. L. L. Temple Foundation, the John J. and Rebecca Moores Endowment, and the State of Texas through the Texas Center for Superconductivity at the University of Houston. NR 32 TC 2 Z9 2 U1 1 U2 15 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 29 PY 2014 VL 111 IS 30 BP 10966 EP 10971 DI 10.1073/pnas.1411802111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL9YT UT WOS:000339500200033 PM 25030447 ER PT J AU Little, DJ Li, G Ing, C DiFrancescoc, BR Bamford, NC Robinson, H Nitz, M Pomes, R Howell, PL AF Little, Dustin J. Li, Grace Ing, Christopher DiFrancescoc, Benjamin R. Bamford, Natalie C. Robinson, Howard Nitz, Mark Pomes, Regis Howell, P. Lynne TI Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE exopolysaccharide biosynthesis; glycobiology; carbohydrate binding; deacetylase ID ESCHERICHIA-COLI PGAB; CARBOHYDRATE-BINDING PROPERTIES; CHITIN-LIKE OLIGOSACCHARIDES; CRYSTAL-STRUCTURE; INOSITOL STEREOISOMERS; CELLULOSE SYNTHESIS; 4 COMPLEXES; GLYCOPROTEIN; PROTEIN; ADHESIN AB Poly-beta-1,6-N-acetyl-D-glucosamine (PNAG) is an exopolysaccharide produced by a wide variety of medically important bacteria. Poly-glucosamine subunit B (PgaB) is responsible for the de-N-acetylation of PNAG, a process required for polymer export and biofilm formation. PgaB is located in the periplasm and likely bridges the inner membrane synthesis and outer membrane export machinery. Here, we present structural, functional, and molecular simulation data that suggest PgaB associates with PNAG continuously during periplasmic transport. We show that the association of PgaB's N- and C-terminal domains forms a cleft required for the binding and de-N-acetylation of PNAG. Molecular dynamics (MD) simulations of PgaB show a binding preference for N-acetylglucosamine (GlcNAc) to the N-terminal domain and glucosammonium to the C-terminal domain. Continuous ligand binding density is observed that extends around PgaB from the N-terminal domain active site to an electronegative groove on the C-terminal domain that would allow for a processive mechanism. PgaB's C-terminal domain (PgaB(310-672)) directly binds PNAG oligomers with dissociation constants of similar to 1-3 mM, and the structures of PgaB(310-672) in complex with beta-1,6-(GlcNAc)(6), GlcNAc, and glucosamine reveal a unique binding mode suitable for interaction with de-N-acetylated PNAG (dPNAG). Furthermore, PgaB(310-672) contains a beta-hairpin loop (beta HL) important for binding PNAG that was disordered in previous PgaB(42-655) structures and is highly dynamic in the MD simulations. We propose that conformational changes in PgaB(310-672) mediated by the beta HL on binding of PNAG/dPNAG play an important role in the targeting of the polymer for export and its release. C1 [Little, Dustin J.; Li, Grace; Ing, Christopher; Bamford, Natalie C.; Pomes, Regis; Howell, P. Lynne] Hosp Sick Children, Res Inst, Program Mol Struct & Funct, Toronto, ON M5G IX8, Canada. [Little, Dustin J.; Li, Grace; Ing, Christopher; Bamford, Natalie C.; Pomes, Regis; Howell, P. Lynne] Univ Toronto, Dept Biochem, Toronto, ON M5S IA8, Canada. [DiFrancescoc, Benjamin R.; Nitz, Mark] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada. [Robinson, Howard] Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA. RP Little, DJ (reprint author), Hosp Sick Children, Res Inst, Program Mol Struct & Funct, Toronto, ON M5G IX8, Canada. FU Canadian Institutes of Health Research (CIHR) [43998, 43949, 89708]; University of Toronto; Ontario Graduate Scholarship Program; CIHR; Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Research Chair; US Department of Energy Office of Biological and Environmental Research; National Institutes of Health National Center for Research Resources; NSERC; National Research Council of Canada; Province of Saskatchewan; Western Economic Diversification Canada; University of Saskatchewan FX We thank Patrick Yip for technical assistance, Dr. Alaji Bah for help with fluorescence quenching experiments, Dr. Varvara Pokrovskaya for 1H NMR analysis, Dr. Nilu Chakrabarti for help with parameterization of beta-D-GlcNAc and beta-D-GlcNH3+, Dr. Shaunivan Labiuk at the Canadian Light Source (CLS) for data collection, and Compute Canada and Consortium Laval L'Universite du Quebec a Montreal McGill and Eastern Quebec for providing the computational resources for the MD simulations. Research described in this paper is supported by Canadian Institutes of Health Research (CIHR) Grants 43998 (to P.L.H.), 43949 (to R.P.), and 89708 (to M.N.). D.J.L. has been supported, in part, by graduate scholarships from the University of Toronto, the Ontario Graduate Scholarship Program, and CIHR. N.C.B. has been supported, in part, by a graduate scholarship from the Natural Sciences and Engineering Research Council of Canada (NSERC). P.L.H. is the recipient of a Canada Research Chair. The National Synchrotron Light Source beamline X29A is supported by the US Department of Energy Office of Biological and Environmental Research and the National Institutes of Health National Center for Research Resources. Beamline 08ID-1 at the CLS is supported by the NSERC, National Research Council of Canada, CIHR, Province of Saskatchewan, Western Economic Diversification Canada, and University of Saskatchewan. NR 38 TC 10 Z9 10 U1 1 U2 28 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 29 PY 2014 VL 111 IS 30 BP 11013 EP 11018 DI 10.1073/pnas.1406388111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL9YT UT WOS:000339500200041 PM 24994902 ER PT J AU Fujita, K Hamidian, MH Edkins, SD Kim, CK Kohsaka, Y Azuma, M Takano, M Takagi, H Eisaki, H Uchida, S Allais, A Lawler, MJ Kim, EA Sachdev, S Davis, JCS AF Fujita, Kazuhiro Hamidian, Mohammad H. Edkins, Stephen D. Kim, Chung Koo Kohsaka, Yuhki Azuma, Masaki Takano, Mikio Takagi, Hidenori Eisaki, Hiroshi Uchida, Shin-ichi Allais, Andrea Lawler, Michael J. Kim, Eun-Ah Sachdev, Subir Davis, J. C. Seamus TI Direct phase-sensitive identification of a d-form factor density wave in underdoped cuprates SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE CuO2 pseudogap; broken symmetry; density-wave form factor ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; PSEUDOGAP STATE; CHARGE ORDER; ANTIFERROMAGNETS; INSTABILITY; NEMATICITY; SYMMETRY; METALS; MODEL; GLASS AB The identity of the fundamental broken symmetry (if any) in the underdoped cuprates is unresolved. However, evidence has been accumulating that this state may be an unconventional density wave. Here we carry out site-specific measurements within each CuO2 unit cell, segregating the results into three separate electronic structure images containing only the Cu sites [Cu(r)] and only the x/y axis O sites [O-x(r) and O-y(r)]. Phase-resolved Fourier analysis reveals directly that the modulations in the O-x(r) and O-y(r) sublattice images consistently exhibit a relative phase of pi. We confirm this discovery on two highly distinct cuprate compounds, ruling out tunnel matrix-element and materials-specific systematics. These observations demonstrate by direct sublattice phase-resolved visualization that the density wave found in underdoped cuprates consists of modulations of the intraunit-cell states that exhibit a predominantly d-symmetry form factor. C1 [Fujita, Kazuhiro; Hamidian, Mohammad H.; Kim, Chung Koo; Davis, J. C. Seamus] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Fujita, Kazuhiro; Hamidian, Mohammad H.; Edkins, Stephen D.; Lawler, Michael J.; Kim, Eun-Ah; Davis, J. C. Seamus] Cornell Univ, Dept Phys, Lab Atom & Solid State Phys, Ithaca, NY 14853 USA. [Fujita, Kazuhiro; Takagi, Hidenori; Uchida, Shin-ichi] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Edkins, Stephen D.; Davis, J. C. Seamus] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. [Kohsaka, Yuhki] RIKEN, Ctr Emergent Matter Sci, Wako, Saitama 3510198, Japan. [Azuma, Masaki] Tokyo Inst Technol, Mat & Struct Lab, Yokohama, Kanagawa 2268503, Japan. [Takano, Mikio] Kyoto Univ, Inst Integrated Cell Mat Sci, Sakyo Ku, Kyoto 6068501, Japan. [Takagi, Hidenori] RIKEN, Adv Sci Inst, Wako, Saitama 3510198, Japan. [Takagi, Hidenori] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany. [Eisaki, Hiroshi] Natl Inst Adv Ind Sci & Technol, Nanoelectron Res Inst, Tsukuba, Ibaraki 3058568, Japan. [Allais, Andrea; Sachdev, Subir] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Lawler, Michael J.] SUNY Binghamton, Dept Phys & Astron, Binghamton, NY 13902 USA. [Sachdev, Subir] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada. RP Davis, JCS (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM jcseamusdavis@gmail.com RI Azuma, Masaki/C-2945-2009; Takagi, Hidenori/B-2935-2010; Lawler, Michael/K-6770-2012; OI Azuma, Masaki/0000-0002-8378-321X; Lawler, Michael/0000-0002-2319-2274; KIM, CHUNG KOO/0000-0002-2463-197X FU Center for Emergent Superconductivity, an Energy Frontier Research Center, headquartered at Brookhaven National Laboratory; US Department of Energy (DOE) [DE-2009-BNL-PM015]; Ministry of Science and Education (Japan); Global Centers of Excellence Program for the Japan Society for the Promotion of Science (JSPS); Fluc Team program at Brookhaven National Laboratory [DE-AC02-98CH10886]; Engineering and Physical Sciences Research Council; JSPS KAKENHI [19840052, 20244060]; US DOE [DE-SC0010313]; National Science Foundation [DMR-1103860]; Templeton Foundation FX We acknowledge and thank S. Billinge, R. Comin, A. Damascelli, D.-H. Lee, S. A. Kivelson, A. Kostin, and A. P. Mackenzie for very helpful discussions and communications. Experimental studies were supported by the Center for Emergent Superconductivity, an Energy Frontier Research Center, headquartered at Brookhaven National Laboratory and funded by the US Department of Energy (DOE) under Contract DE-2009-BNL-PM015, as well as by a Grant-in-Aid for Scientific Research from the Ministry of Science and Education (Japan) and the Global Centers of Excellence Program for the Japan Society for the Promotion of Science (JSPS). C.K.K. acknowledges support from the Fluc Team program at Brookhaven National Laboratory under Contract DE-AC02-98CH10886. S.D.E. acknowledges the support of Engineering and Physical Sciences Research Council through the Programme Grant "Topological Protection and Non-Equilibrium States in Correlated Electron Systems." Y.K. acknowledges support from studies at RIKEN by JSPS KAKENHI (19840052, 20244060). Theoretical studies at Cornell University were supported by US DOE Award DE-SC0010313. A.A. and S.S. are supported by National Science Foundation Grant DMR-1103860 and by the Templeton Foundation. NR 44 TC 92 Z9 92 U1 4 U2 53 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 29 PY 2014 VL 111 IS 30 BP E3026 EP E3032 DI 10.1073/pnas.1406297111 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL9YT UT WOS:000339500200003 PM 24989503 ER PT J AU Volkow, ND Wang, GJ Telang, F Fowler, JS Alexoff, D Logan, J Jayne, M Wong, C Tomasi, D AF Volkow, Nora D. Wang, Gene-Jack Telang, Frank Fowler, Joanna S. Alexoff, David Logan, Jean Jayne, Millard Wong, Christopher Tomasi, Dardo TI Decreased dopamine brain reactivity in marijuana abusers is associated with negative emotionality and addiction severity SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE nucleus accumbens; amotivation; cannabinoid 1 receptors; brain imaging; midbrain ID POSITRON-EMISSION-TOMOGRAPHY; D-2/D-3 RECEPTOR AVAILABILITY; CANNABINOID CB1; CONCURRENT STIMULATION; ORAL METHYLPHENIDATE; GLUCOSE-METABOLISM; VENTRAL STRIATUM; RELEASE; USERS; DEPENDENCE AB Moves to legalize marijuana highlight the urgency to investigate effects of chronic marijuana in the human brain. Here, we challenged 48 participants (24 controls and 24 marijuana abusers) with methylphenidate (MP), a drug that elevates extracellular dopamine (DA) as a surrogate for probing the reactivity of the brain to DA stimulation. We compared the subjective, cardiovascular, and brain DA responses (measured with PET and [C-11]raclopride) to MP between controls and marijuana abusers. Although baseline (placebo) measures of striatal DA D2 receptor availability did not differ between groups, the marijuana abusers showed markedly blunted responses when challenged with MP. Specifically, compared with controls, marijuana abusers had significantly attenuated behavioral ("self-reports" for high, drug effects, anxiety, and restlessness), cardiovascular (pulse rate and diastolic blood pressure), and brain DA [reduced decreases in distribution volumes (DVs) of [C-11]raclopride, although normal reductions in striatal nondisplaceable binding potential (BPND)]responses to MP. In ventral striatum (key brain reward region), MP-induced reductions in DVs and BPND (reflecting DA increases) were inversely correlated with scores of negative emotionality, which were significantly higher for marijuana abusers than controls. In marijuana abusers, DA responses in ventral striatum were also inversely correlated with addiction severity and craving. The attenuated responses to MP, including reduced decreases in striatal DVs, are consistent with decreased brain reactivity to the DA stimulation in marijuana abusers that might contribute to their negative emotionality (increased stress reactivity and irritability) and addictive behaviors. C1 [Volkow, Nora D.; Wang, Gene-Jack; Telang, Frank; Jayne, Millard; Wong, Christopher; Tomasi, Dardo] NIAAA, Lab Neuroimaging, Rockville, MD 20857 USA. [Volkow, Nora D.] NIDA, Rockville, MD 20857 USA. [Fowler, Joanna S.; Alexoff, David] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Logan, Jean] NYU, Langone Med Ctr, Dept Radiol, New York, NY 10016 USA. RP Volkow, ND (reprint author), NIAAA, Lab Neuroimaging, Rockville, MD 20857 USA. EM nvolkow@nida.nih.gov; fowler@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU National Institute of Health's Intramural Research Program (National Institute on Alcohol Abuse and Alcoholism); Brookhaven National Laboratory [DE-AC02-98CH10886] FX We thank Lisa Muench, Colleen Shea, and Youwen Xu for radiopharmaceutical preparation and quality control, Pauline Carter and Barbara Hubbard for subject care and protocol oversight, Karen Apelskog for protocol coordination, Michael Schueller for cyclotron operations, and Ruben Baler for assistance in manuscript preparation. We also thank the subjects who volunteered to participate in this study. Research was supported by the National Institute of Health's Intramural Research Program (National Institute on Alcohol Abuse and Alcoholism) and was carried out using the infrastructure of Brookhaven National Laboratory under Contract DE-AC02-98CH10886. NR 80 TC 27 Z9 27 U1 4 U2 45 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 29 PY 2014 VL 111 IS 30 BP E3149 EP E3156 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL9YT UT WOS:000339500200016 PM 25024177 ER PT J AU Liu, ZY Liu, YN Jiang, DQ Yang, F Hao, SJ Ren, Y Cui, LS AF Liu, Zhenyang Liu, Yinong Jiang, Daqiang Yang, Feng Hao, Shijie Ren, Yang Cui, Lishan TI Local strain matching between Nb nanowires and a phase transforming NiTi matrix in an in-situ composite SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Composite; NiTi shape memory alloy; Nanowire; Strain coupling ID LUDERS-LIKE DEFORMATION; SHAPE-MEMORY ALLOYS; MECHANICAL-PROPERTIES; ELASTIC STRAIN; HIGH-STRENGTH; WIRES; MICROSTRUCTURE; NANOCOMPOSITE; FABRICATION; PLASTICITY AB This study investigated the local strain coupling between Nb nanowires and a phase transforming NiTi matrix in an in-situ composite system, which presents a unique metallurgical system in terms of load transfer and strain coupling between two components. It is found that embedded Nb nanowires experienced plastic deformations even globe applied strains are smaller than the elastic limit of nanowires. This is attributed to the discrete strain field of NiTi matrix which deforms via first order stress-induced martensitic transformation. The results imply new concept in controlling mechanical property of phase transforming alloy based composites by tailoring internal stress/strain coupling via small pre-deformation process. (C) 2014 Elsevier B.V. All rights reserved. C1 [Liu, Zhenyang; Jiang, Daqiang; Yang, Feng; Hao, Shijie; Cui, Lishan] China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. [Liu, Yinong] Univ Western Australia, Sch Mech & Chem Engn, Crawley, WA 6009, Australia. [Ren, Yang] Argon Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Cui, LS (reprint author), China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. EM lishancui63@126.com RI Liu, Yinong/G-6637-2011; Jiang, Daqiang /G-5511-2014 OI Liu, Yinong/0000-0002-8784-8543; FU National Natural Science Foundation of China (NSFC) [51231008, 51101170]; Australian Research Council [DP140103805]; National 973 programs of China [2012CB619400]; Key Project of Chinese Ministry of Education [313055]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work is supported by the key program project of National Natural Science Foundation of China (NSFC) (51231008), Australian Research Council (Grant No. DP140103805), the National 973 programs of China (2012CB619400), National Natural Science Foundation of China (NSFC) (51101170), Key Project of Chinese Ministry of Education (313055). Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357. NR 21 TC 5 Z9 5 U1 3 U2 28 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 29 PY 2014 VL 610 BP 6 EP 9 DI 10.1016/j.msea.2014.05.041 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AL9JQ UT WOS:000339457800003 ER PT J AU Lentz, M Coelho, RS Camin, B Fahrenson, C Schaefer, N Selve, S Link, T Beyerlein, IJ Reimers, W AF Lentz, M. Coelho, R. S. Camin, B. Fahrenson, C. Schaefer, N. Selve, S. Link, T. Beyerlein, I. J. Reimers, W. TI In-situ, ex-situ EBSD and (HR-)TEM analyses of primary, secondary and tertiary twin development in an Mg-4 wt%Li alloy SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Deformation twinning; Magnesium alloy; EBSD; HRTEM ID PLANE-STRAIN COMPRESSION; MAGNESIUM ALLOY; CONTRACTION TWINS; DUCTILITY; EVOLUTION; CRYSTALS; BEHAVIOR; TENSION; SHEET; AZ31 AB This study presents experimental evidence for the sequence of activation and the evolution of primary tension (TTW), secondary compression (CTW) and tertiary double twinning (DTW) in an extruded Mg-4 wt%Li alloy during uniaxial compression by means of in-situ and ex-situ EBSD and (HR-)TEM. In-situ EBSD analysis reveals that the secondary CTWs propagate very slowly, while the tertiary DTWs propagate faster once nucleated. Thereby, when DTW-ing overtakes the CTW, CTW boundary migration stops, indicating that the thickness of the CTW is limited by the onset of internal DTW-ing. This finding confirms some prior proposals based on post-mortem analyses. High-resolution (HR-)TEM analysis of a - 18% compressed sample reveals significant basal slip activity and a high amount of basal stacking faults within the primary TTW as well as within the secondary CTW. Additionally, the HR-TEM analysis showed a large amount of basal dislocations within the area of the CTW-DTW transition. These findings give strong experimental evidence that the observed predominance of type 1 DTW-ing is related to the dissociation of extended basal dislocations. (C) 2014 Elsevier B.V. All rights reserved. C1 [Lentz, M.; Camin, B.; Link, T.; Reimers, W.] Tech Univ Berlin, D-10587 Berlin, Germany. [Coelho, R. S.; Schaefer, N.] Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany. [Fahrenson, C.; Selve, S.] Tech Univ Berlin, D-10623 Berlin, Germany. [Beyerlein, I. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lentz, M (reprint author), Tech Univ Berlin, Ernst Reuter Pl 1, D-10587 Berlin, Germany. EM martin.lentz@tu-berlin.de OI Lentz, Martin/0000-0001-8310-0063 FU Deutsche Forschungsgemeinschaft (DFG) [RE 688/67-1]; Laboratory Directed Research and Development program [20140348ER]; Dipl.-Ing. Ulrich Gernert and Dipl.-Ing. Jorg Nissen (ZELMI - TU Berlin) FX The authors are grateful for the financial support of the Deutsche Forschungsgemeinschaft (DFG) under the Contract number RE 688/67-1. The authors would like to thank Dipl.-Ing. Ulrich Gernert and Dipl.-Ing. Jorg Nissen (ZELMI - TU Berlin) for their support of the in-situ EBSD experiments and Marek Heuser and Florian Schmack for the metallographic sample preparation. IJ Beyerlein would like to acknowledge support by a Laboratory Directed Research and Development program Award number 20140348ER. NR 30 TC 13 Z9 14 U1 8 U2 48 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 29 PY 2014 VL 610 BP 54 EP 64 DI 10.1016/j.msea.2014.05.025 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AL9JQ UT WOS:000339457800010 ER PT J AU Pedrazas, NA Buchheit, TE Holm, EA Taleff, EM AF Pedrazas, Nicholas A. Buchheit, Thomas E. Holm, Elizabeth A. Taleff, Eric M. TI Dynamic abnormal grain growth in tantalum SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Tantalum; Abnormal grain growth; Grain boundaries; Orientation relationships; Plasticity; EBSD ID ELECTRON BACKSCATTER DIFFRACTION; BOUNDARY PROPERTIES; ORIENTATION; METALS; CRYSTALS; MOBILITY AB Dynamic abnormal grain growth (DAGG) is a phenomenon that produces one or more very large, abnormal grains during plastic deformation of polycrystalline material at high temperatures. DAGG was previously observed in commercial-purity molybdenum (Mo) and was used to produce large Mo single crystals of centimeters in length. The present investigation is the first to demonstrate DAGG in commercial-purity tantalum (Ta) sheet, another body-centered-cubic refractory metal. DAGG occurs in Ta at temperatures from 1450-1850 degrees C across strain rates from 3 x 10(-5) to 5 x 10(-4) s(-1). Grain boundary migration rates during DAGG in Ta are on the order of 10 mm/min. DAGG produces large abnormal grains preferentially oriented with the < 101 > direction approximately parallel to the tensile axis. A unique observation of this investigation is a preponderance of Sigma 3 special boundary character along the boundaries of large abnormal grains produced in Ta through DAGG. The propensity toward this special boundary character is a result of a relatively large grain size and strong texture in the polycrystalline material prior to DAGG and the typically low energy of Sigma 3 boundaries, which suppress boundary migration. (C) 2014 Elsevier B.V. All rights reserved. C1 [Pedrazas, Nicholas A.; Taleff, Eric M.] Univ Texas Austin, Austin, TX 78712 USA. [Buchheit, Thomas E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Holm, Elizabeth A.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RP Taleff, EM (reprint author), Univ Texas Austin, 204 East Dean Keeton St,Stop C2200, Austin, TX 78712 USA. EM taleff@utexas.edu RI Holm, Elizabeth/S-2612-2016 OI Holm, Elizabeth/0000-0003-3064-5769 FU Sandia National Laboratories; Lockheed Martin Company; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; National Science Foundation [DMR-1105468, DMR-9974476]; Sandia Corporation FX The authors gratefully acknowledge Bonnie McKenzie and Joe Michael at Sandia National Laboratories for their assistance with the EBSD experiments. This work was supported by and performed in part at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work received support from the National Science Foundation under Grant DMR-1105468 and utilized equipment acquired under DMR-9974476. NR 30 TC 6 Z9 6 U1 2 U2 25 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 29 PY 2014 VL 610 BP 76 EP 84 DI 10.1016/j.msea.2014.05.031 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AL9JQ UT WOS:000339457800012 ER PT J AU Abdel-Fattah, TM Mahmoud, ME Osmam, MM Ahmed, SB AF Abdel-Fattah, Tarek M. Mahmoud, Mohamed E. Osmam, Maher M. Ahmed, Somia B. TI Magnetically active biosorbent for chromium species removal from aqueous media SO JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING LA English DT Article DE Magnetically active biosorbent; chromium (VI) removal; chromium (III) removal; micro-column study ID SOLID-PHASE EXTRACTION; SELECTIVE EXTRACTION; WASTE-WATER; SILICA-GEL; IONIC-STRENGTH; LEAD IONS; PRECONCENTRATION; CARBON; IRON; ADSORPTION AB A magnetically active composite as adsorbent was synthesized via a facile in situ one-pot impregnation of magnetic nano-iron oxide (Fe3O4) on the surface of activated carbon (AC) for the formation of AC-Fe3O4. Baker(')s yeast was physically loaded on the resultant adsorbent AC-Fe3O4 to form a novel yeast coated magnetic composite AC-Fe3O4-Yst as biosorbent. The two synthesized adsorbents were characterized by using a scanning electron microscope (SEM) and assessed using Langmuir, the Brunauer-Emmet-Teller (BET) and Dubinin-Radushkevich (D-R) isotherm models. The validity and applicability of these two sorbents in adsorptive removal of chromium species, Cr(VI) and Cr(III), from aqueous solutions under the effect of a magnetic field were studied and evaluated in the presence of various controlling parameters in order to identify the optimal pH, contact time, mass dose and chromium concentrations for such adsorption process. Also, single and multi-stage micro-column techniques were used to study the potential applications of AC-Fe3O4 as magnetically active adsorbents and AC-Fe3O4-Yst as magnetically active biosorbents, for the removal of chromium species from various real water samples. C1 [Abdel-Fattah, Tarek M.] Thomas Jefferson Natl Accelerator Facil, Appl Res Ctr, Newport News, VA USA. [Abdel-Fattah, Tarek M.] Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA. [Mahmoud, Mohamed E.; Osmam, Maher M.; Ahmed, Somia B.] Univ Alexandria, Fac Sci, Dept Chem, Alexandria, Egypt. RP Abdel-Fattah, TM (reprint author), Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA. EM fattah@cnu.edu NR 38 TC 7 Z9 7 U1 3 U2 41 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 520 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1093-4529 EI 1532-4117 J9 J ENVIRON SCI HEAL A JI J. Environ. Sci. Health Part A-Toxic/Hazard. Subst. Environ. Eng. PD JUL 29 PY 2014 VL 49 IS 9 BP 1064 EP 1076 DI 10.1080/10934529.2014.895564 PG 13 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AH1AE UT WOS:000335851100010 PM 24798905 ER PT J AU Arnalds, UB Ahlberg, M Brewer, MS Kapaklis, V Papaioannou, ET Karimipour, M Korelis, P Stein, A Olafsson, S Hase, TPA Hjorvarsson, B AF Arnalds, Unnar B. Ahlberg, Martina Brewer, Matthew S. Kapaklis, Vassilios Papaioannou, Evangelos Th. Karimipour, Masoud Korelis, Panagiotis Stein, Aaron Olafsson, Sveinn Hase, Thomas P. A. Hjorvarsson, Bjorgvin TI Thermal transitions in nano-patterned XY-magnets SO APPLIED PHYSICS LETTERS LA English DT Article ID ARTIFICIAL SPIN-ICE AB We have fabricated ultra-thin disc shaped islands wherein shape anisotropy confines the moment to the island plane, creating XY-like superspins. At low temperatures, the superspins are blocked, and, as the temperature is increased, they undergo a transition into a superparamagnetic state. The onset of this dynamic superspin state scales with the diameter of the islands, and it persists up to a temperature governed by the intrinsic ordering temperature of the island material defining a range in temperature in which dynamic behavior of the magnetic islands can be obtained. (C) 2014 AIP Publishing LLC. C1 [Arnalds, Unnar B.; Ahlberg, Martina; Kapaklis, Vassilios; Papaioannou, Evangelos Th.; Karimipour, Masoud; Korelis, Panagiotis; Hjorvarsson, Bjorgvin] Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden. [Arnalds, Unnar B.; Olafsson, Sveinn] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland. [Brewer, Matthew S.; Hase, Thomas P. A.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Stein, Aaron] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Arnalds, UB (reprint author), Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden. RI Papaioannou, Evangelos/N-7518-2013; Arnalds, Unnar/L-9315-2015; OI Arnalds, Unnar/0000-0002-5988-917X; Kapaklis, Vassilios/0000-0002-6105-1659; Stein, Aaron/0000-0003-4424-5416; Hjorvarsson, Bjorgvin/0000-0003-1803-9467 FU Swedish Research Council; Knut and Alice Wallenberg Foundation; Icelandic Nanoscience and Nanotechnology program; Icelandic Research Fund for Graduate Students; Vali-e-Asr University of Rafsanjan, Rafsanjan, Iran; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors acknowledge the support of the Swedish Research Council and the Knut and Alice Wallenberg Foundation and funding from the Icelandic Nanoscience and Nanotechnology program and the Icelandic Research Fund for Graduate Students. M. K. would like to thank Vali-e-Asr University of Rafsanjan, Rafsanjan, Iran for their grant support to collaborate on this work. The patterning was performed at the Center for Functional Nanomaterials (CFN), Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 23 TC 1 Z9 1 U1 0 U2 28 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 042409 DI 10.1063/1.4891479 PG 4 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600055 ER PT J AU Ji, JF Boatner, LA Selim, FA AF Ji, Jianfeng Boatner, L. A. Selim, F. A. TI Donor characterization in ZnO by thermally stimulated luminescence SO APPLIED PHYSICS LETTERS LA English DT Article ID ZINC-OXIDE; GREEN EMISSION; HYDROGEN AB Low temperature thermo-luminescence (TL) has been applied to measurements of the ionization energy of donors in ZnO. Three hydrogen-related donors were characterized with ionization energies of 36, 47, and 55 meV-values that are in complete agreement with previous reports. The donor types can be "switched" by relevant thermal treatments. This work shows that TL can be used to measure the donor energies in luminescent semiconductors in general. This approach can be particularly useful for thin-film investigations when the results of Hall-effect measurements are obscured by contributions from conductive interfaces or substrates. (C) 2014 AIP Publishing LLC. C1 [Ji, Jianfeng; Selim, F. A.] Bowling Green State Univ, Dept Phys & Astron, Bowling Green, OH 43403 USA. [Ji, Jianfeng] Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. [Boatner, L. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Selim, F. A.] Bowling Green State Univ, Ctr Photochem Sci, Bowling Green, OH 43403 USA. RP Selim, FA (reprint author), Bowling Green State Univ, Dept Phys & Astron, Bowling Green, OH 43403 USA. EM faselim@bgsu.edu RI Boatner, Lynn/I-6428-2013; Selim, Farida/N-8077-2016 OI Boatner, Lynn/0000-0002-0235-7594; FU National Science Foundation [DMR1359523]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX The authors would like to thank L. J. Brillson for valuable discussion. Funding for this work was provided by the National Science Foundation (DMR1359523 grant). Research at the Oak Ridge National Laboratory for one author (LAB) was sponsored by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 35 TC 6 Z9 6 U1 0 U2 23 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 041102 DI 10.1063/1.4891677 PG 5 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600002 ER PT J AU Li, RF Li, LL Yu, T Wang, LH Chen, JX Wang, YB Cai, ZH Chen, JH Rivers, ML Liu, HZ AF Li, Renfeng Li, Liangliang Yu, Tony Wang, Luhong Chen, Jiaxuan Wang, Yanbin Cai, Zhonghou Chen, Jiuhua Rivers, Mark L. Liu, Haozhe TI Study of liquid gallium as a function of pressure and temperature using synchrotron x-ray microtomography and x-ray diffraction SO APPLIED PHYSICS LETTERS LA English DT Article ID ALPHA-GALLIUM; GA; CRYSTAL; BCT AB The volume change of liquid and solid gallium has been studied as a function of pressure and temperature up to 3.02GPa at 300K and up to 3.63GPa at 330K using synchrotron x-ray microtomography combined with energy dispersive x-ray diffraction techniques. Two sets of directly measured P-V data at 300K and 330K were obtained from 3D tomography reconstruction data, and the corresponding isothermal bulk moduli were determined as 23.6 (0.5) GPa and 24.6 (0.4) GPa, respectively. The existence of a liquid-liquid phase transition region is proposed based on the abnormal compressibility of Ga melt at about 2.44GPa and 330K conditions. (c) 2014 AIP Publishing LLC. C1 [Li, Renfeng; Li, Liangliang; Wang, Luhong; Chen, Jiaxuan; Liu, Haozhe] Harbin Inst Technol, Harbin 150080, Peoples R China. [Li, Renfeng; Yu, Tony; Wang, Yanbin; Rivers, Mark L.] Univ Chicago, GeoSoilEnviroCARS, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. [Li, Liangliang; Chen, Jiaxuan; Cai, Zhonghou] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Chen, Jiuhua; Liu, Haozhe] Ctr High Pressure Sci & Technol Adv Res, Changchun 130015, Peoples R China. [Chen, Jiuhua] Florida Int Univ, Ctr Study Matter Extreme Condit, Miami, FL 33199 USA. RP Wang, LH (reprint author), Harbin Inst Technol, Harbin 150080, Peoples R China. EM luhong1@hit.edu.cn; haozhe@hit.edu.cn RI Liu, Haozhe/E-6169-2011; Wang, Luhong/E-6234-2011; OI Wang, Yanbin/0000-0001-5716-3183 FU National Science Foundation (NSF)-Earth Sciences [EAR-1128799]; Department of Energy (DoE)-GeoSciences [DE-FG02-94ER14466]; NSF [EAR-1214376, EAR-1015509]; U.S. DoE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Natural Science Foundation of China [11374075, 10975042]; Heilongjiang Province Science Fund for Distinguished Young Scholars [JC201005]; Heilongjiang Natural Science Foundation [E200948]; Fundamental Research Funds for the Central Universities [HIT.BRET1.2010002, HIT.IBRSEM.A.201403]; HIT-Argonne Overseas Collaborative Base Project; Chinese Scholarship Council; EFree, an Energy Frontier Research Center - U.S. DoE, Office of Science and Office of Basic Energy Sciences (BES) [DE-SC0001057] FX This work was performed at GSECARS, Sector 13 of APS at Argonne National Laboratory. GSECARS is supported by the National Science Foundation (NSF)-Earth Sciences (EAR-1128799) and Department of Energy (DoE)-GeoSciences (DE-FG02-94ER14466). Y.W. acknowledges NSF grant EAR-1214376 for the development of high-pressure tomography technique. Use of the APS was supported by the U.S. DoE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This work was partially supported by Natural Science Foundation of China (11374075, 10975042), Heilongjiang Province Science Fund for Distinguished Young Scholars (JC201005), Heilongjiang Natural Science Foundation (E200948), Longjiang Scholar, the Fundamental Research Funds for the Central Universities (HIT. BRET1.2010002, HIT.IBRSEM.A.201403), HIT-Argonne Overseas Collaborative Base Project, and Chinese Scholarship Council. J.C. acknowledges support from EFree, an Energy Frontier Research Center funded by the U.S. DoE, Office of Science and Office of Basic Energy Sciences (BES) under Award No. DE-SC0001057, and the NSF grant EAR-1015509. NR 26 TC 3 Z9 3 U1 6 U2 33 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 041906 DI 10.1063/1.4891572 PG 5 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600027 ER PT J AU Liu, XR Kareev, M Cao, YW Liu, J Middey, S Meyers, D Freeland, JW Chakhalian, J AF Liu, Xiaoran Kareev, M. Cao, Yanwei Liu, Jian Middey, S. Meyers, D. Freeland, J. W. Chakhalian, J. TI Electronic and magnetic properties of (111)-oriented CoCr2O4 epitaxial thin film SO APPLIED PHYSICS LETTERS LA English DT Article ID KAGOME-LATTICE; ANTIFERROMAGNET; EXCITATIONS AB We report on the fabrication of high quality (1 1 1)-oriented ferrimagnetic normal spinel CoCr2O4 epitaxial thin films on single crystal Al2O3 substrates. The structural, electronic, and magnetic properties were characterized by in-situ reflection high energy electron diffraction, atomic force microscopy, X-ray diffraction, X-ray photoemission spectroscopy, dc magnetization measurement, and element resolved resonant X-ray magnetic scattering. The comprehensive characterization reveals that no disorder in the cation distribution or multivalency issue is present in the samples. As a result, Kagome and triangular layers are naturally formed via this specific growth approach. These findings offer a pathway to fabricate two dimensional Kagome heterostructures with exotic quantum many-body phenomena by means of geometrical design. (c) 2014 AIP Publishing LLC. C1 [Liu, Xiaoran; Kareev, M.; Cao, Yanwei; Middey, S.; Meyers, D.; Chakhalian, J.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Liu, Jian] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Liu, Jian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Freeland, J. W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Liu, XR (reprint author), Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. EM xxl030@email.uark.edu RI Chakhalian, Jak/F-2274-2015; Middey, Srimanta/D-9580-2013; Liu, Jian/I-6746-2013 OI Middey, Srimanta/0000-0001-5893-0946; Liu, Jian/0000-0001-7962-2547 FU DOD-ARO [0402-17291]; U.S. DOE [DEAC0206CH11357] FX The authors acknowledge M. Hawkridge for the assistances on the XRR measurement. J.C. deeply acknowledges numerous fruitful discussions with D. Khomskii and G. Fiete. J.C. was supported by the DOD-ARO under Grant No. 0402-17291. Work at the Advanced Photon Source, Argonne is supported by the U.S. DOE under Grant No. DEAC0206CH11357. NR 33 TC 8 Z9 8 U1 4 U2 56 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 042401 DI 10.1063/1.4891653 PG 4 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600047 ER PT J AU Shi, XB Marathe, S Wojcik, MJ Kujala, NG Macrander, AT Assoufid, L AF Shi, Xianbo Marathe, Shashidhara Wojcik, Michael J. Kujala, Naresh G. Macrander, Albert T. Assoufid, Lahsen TI Circular grating interferometer for mapping transverse coherence area of X-ray beams SO APPLIED PHYSICS LETTERS LA English DT Article ID PHOTON-CORRELATION SPECTROSCOPY; RADIAL-SHEARING INTERFEROMETRY; DIFFRACTION; PATTERNS AB A circular grating interferometer was used to map the transverse coherence area of an X-ray beam. Due to the radial symmetry of the circular grating, coherence lengths along all transverse directions were obtained simultaneously by measuring the visibility decay of interferograms recorded at different distances behind a single circular pi/2 phase grating. The technique is model-free and provides direct measurement of the complex coherence factor of the beam. The use of a circular grating also enables the unique capability of measuring the source shape profile. Sensitivity of this technique was demonstrated by detecting the small source tilt of a few degrees. (C) 2014 AIP Publishing LLC. C1 [Shi, Xianbo; Marathe, Shashidhara; Wojcik, Michael J.; Kujala, Naresh G.; Macrander, Albert T.; Assoufid, Lahsen] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA. RP Shi, XB (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Lemont, IL 60439 USA. EM xshi@aps.anl.gov FU U.S. Department of Energy (DOE) Office of Science [DE-AC02-06CH11357] FX This work used the Advanced Photon Source and Center for Nanoscale Materials, Office of Science User Facilities operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, supported by DOE under Contract No. DE-AC02-06CH11357. The authors would like to thank Dr. Ruben Reininger, Dr. Ryan Lindberg, Dr. Kwang-Je Kim, and Dr. Stanislav Stoupin for helpful discussions and to thank Liliana Stan and Dr. Ralu Divan for their assistance during the grating fabrication. NR 29 TC 9 Z9 9 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 041116 DI 10.1063/1.4892002 PG 5 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600016 ER PT J AU Watkins, EB Kashinath, A Wang, P Baldwin, JK Majewski, J Demkowicz, MJ AF Watkins, E. B. Kashinath, A. Wang, P. Baldwin, J. K. Majewski, J. Demkowicz, M. J. TI Characterization of a Fe/Y2O3 metal/oxide interface using neutron and x-ray scattering SO APPLIED PHYSICS LETTERS LA English DT Article ID IRRADIATION; CHEMISTRY; SYSTEM AB The structure of metal/oxide interfaces is important to the radiation resistance of oxide dispersion-strengthened steels. We find evidence of gradual variations in stoichiometry and magnetization across a Fe/Y2O3 metal/oxide heterophase interface using neutron and x-ray reflectometry. These findings suggest that the Fe/Y2O3 interface is a transitional zone approximately similar to 64 angstrom-thick containing mixtures or compounds of Fe, Y, and O. Our results illustrate the complex chemical and magnetic nature of Fe/oxide interfaces and demonstrate the utility of combined neutron and x-ray techniques as tools for characterizing them. (C) 2014 AIP Publishing LLC. C1 [Watkins, E. B.; Wang, P.; Majewski, J.] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Kashinath, A.; Demkowicz, M. J.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Kashinath, A.] Aramco Res Ctr Boston, Cambridge, MA 02139 USA. [Wang, P.] Intel Corp, Hillsboro, OR 97006 USA. [Baldwin, J. K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Majewski, J (reprint author), Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, POB 1663, Los Alamos, NM 87545 USA. EM jarek@lanl.gov; demkowicz@mit.edu FU Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory [20130118DR]; Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory under DOE [DE-AC52-06NA25396]; DOE Office of Basic Energy Sciences; Los Alamos National Laboratory under DOE [DE-AC52-06NA25396] FX This work was supported by the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory under Project No. 20130118DR, under DOE Contract No. DE-AC52-06NA25396. This work also benefited from the use of the Lujan Neutron Scattering Center at LANSCE, funded by the DOE Office of Basic Energy Sciences and Los Alamos National Laboratory under DOE Contract No. DE-AC52-06NA25396. We are grateful to O. Anderoglu, B. P. Uberuaga, S. Yadav, M. Fitzsimmons, and S. Choudhury for helpful discussions and L. Daemen and D. Williams for assistance with x-ray measurements. NR 29 TC 1 Z9 1 U1 1 U2 26 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 041601 DI 10.1063/1.4891432 PG 4 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600018 ER PT J AU Zhang, JS Liu, YN Ren, Y Huan, Y Hao, SJ Yu, C Shao, Y Ru, YD Jiang, DQ Cui, LS AF Zhang, Junsong Liu, Yinong Ren, Yang Huan, Yong Hao, Shijie Yu, Cun Shao, Yang Ru, Yadong Jiang, Daqiang Cui, Lishan TI In situ synchrotron X-ray diffraction study of deformation behavior and load transfer in a Ti2Ni-NiTi composite SO APPLIED PHYSICS LETTERS LA English DT Article ID GLASS-MATRIX COMPOSITES; STRAIN-MEASUREMENTS; DUCTILE PARTICLES; TENSILE DUCTILITY; TRANSFORMATION AB The deformation behavior and load transfer of a dual-phase composite composed of martensite NiTi embedded in brittle Ti2Ni matrices were investigated by using in situ synchrotron x-ray diffraction during compression. The composite exhibits a stage-wise deformation feature and a double-yielding phenomenon, which were caused by the interaction between Ti2Ni and NiTi with alternative microscopic deformation mechanism. No load transfer occurs from the soft NiTi dendrites to the hard Ti2Ni matrices during the pseudoplastic deformation (detwinning) of NiTi, which is significantly different from that previously reported in bulk metallic glasses matrices composites. (c) 2014 AIP Publishing LLC. C1 [Zhang, Junsong; Hao, Shijie; Yu, Cun; Shao, Yang; Ru, Yadong; Jiang, Daqiang; Cui, Lishan] China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. [Liu, Yinong] Univ Western Australia, Sch Mech & Chem Engn, Crawley, WA 6009, Australia. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Huan, Yong] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China. RP Cui, LS (reprint author), China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. EM lscui@cup.edu.cn RI Liu, Yinong/G-6637-2011; Jiang, Daqiang /G-5511-2014 OI Liu, Yinong/0000-0002-8784-8543; FU National Natural Science Foundation of China (NSFC) [51231008]; National 973 programs of China [2012CB619403]; Australian Research Council [DP140103805]; Key Project of Chinese Ministry of Education [313055]; US Department of Energy, Office of Science, and Office of Basic Energy Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the key program project of National Natural Science Foundation of China (NSFC) (Grant No. 51231008), the National 973 programs of China (Grant No. 2012CB619403), the Australian Research Council (Grant No. DP140103805), and the Key Project of Chinese Ministry of Education (Grant No. 313055). The use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, and Office of Basic Energy Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 21 TC 5 Z9 5 U1 3 U2 33 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 28 PY 2014 VL 105 IS 4 AR 041910 DI 10.1063/1.4892352 PG 4 WC Physics, Applied SC Physics GA AO2LB UT WOS:000341152600031 ER PT J AU Bastea, S AF Bastea, Sorin TI A simulation assessment of the thermodynamics of dense ion-dipole mixtures with polarization SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MEAN SPHERICAL APPROXIMATION; EQUATION-OF-STATE; PERTURBATION-THEORY; MOLECULAR-DYNAMICS; 1ST PRINCIPLES; POLAR FLUIDS; HARD-SPHERES; FORCE-FIELDS; SIMPLE-MODEL; WATER AB Molecular dynamics (MD) simulations are employed to ascertain the relative importance of various electrostatic interaction contributions, including induction interactions, to the thermodynamics of dense, hot ion-dipole mixtures. In the absence of polarization, we find that an MD-constrained free energy term accounting for the ion-dipole interactions, combined with well tested ionic and dipolar contributions, yields a simple, fairly accurate free energy form that may be a better option for describing the thermodynamics of such mixtures than the mean spherical approximation (MSA). Polarization contributions induced by the presence of permanent dipoles and ions are found to be additive to a good approximation, simplifying the thermodynamic modeling. We suggest simple free energy corrections that account for these two effects, based in part on standard perturbative treatments and partly on comparisons with MD simulation. Even though the proposed approximations likely need further study, they provide a first quantitative assessment of polarization contributions at high densities and temperatures and may serve as a guide for future modeling efforts. (C) 2014 AIP Publishing LLC. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bastea, S (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM sbastea@llnl.gov FU (U.S.) Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the (U.S.) Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 75 TC 1 Z9 1 U1 2 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2014 VL 141 IS 4 AR 044507 DI 10.1063/1.4890869 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NT UT WOS:000340712200060 PM 25084926 ER PT J AU Carmer, J van Swol, F Truskett, TM AF Carmer, James van Swol, Frank Truskett, Thomas M. TI Note: Position-dependent and pair diffusivity profiles from steady-state solutions of color reaction-counterdiffusion problems SO JOURNAL OF CHEMICAL PHYSICS LA English DT Letter ID INTERFACES; WATER C1 [Carmer, James; Truskett, Thomas M.] Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA. [van Swol, Frank] Sandia Natl Labs, Dept 1814, Albuquerque, NM 87185 USA. RP Carmer, J (reprint author), Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA. EM truskett@che.utexas.edu RI Truskett, Thomas/D-4624-2009 OI Truskett, Thomas/0000-0002-6607-6468 NR 7 TC 7 Z9 7 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2014 VL 141 IS 4 AR 046101 DI 10.1063/1.4890969 PG 2 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NT UT WOS:000340712200098 PM 25084964 ER PT J AU Mayhall, NJ Head-Gordon, M AF Mayhall, Nicholas J. Head-Gordon, Martin TI Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID QUANTUM RENORMALIZATION-GROUPS; DENSITY-FUNCTIONAL THEORY; TRANSITION-METAL DIMERS; BOND-BREAKING; CONFIGURATION-INTERACTION; MAGNETIC CHARACTERIZATION; EXCHANGE COUPLINGS; ENERGY DIFFERENCES; MOLECULAR SYSTEMS; SIZE-CONSISTENT AB An approximation to the spin-flip extended configuration interaction singles method is developed using a second-order perturbation theory approach. In addition to providing significant efficiency advantages, the new framework is general for an arbitrary number of spin-flips, with the current implementation being applicable for up to around 4 spin-flips. Two new methods are introduced: one which is developed using non-degenerate perturbation theory, spin-flip complete active-space (SF-CAS(S)), and a second quasidegenerate perturbation theory method, SF-CAS(S) 1. These two approaches take the SF-CAS wavefunction as the reference, and then perturbatively includes the effect of single excitations. For the quasidegenerate perturbation theory method, SF-CAS(S) 1, the subscripted "1" in the acronym indicates that a truncated denominator expansion is used to obtain an energy-independent down-folded Hamiltonian. We also show how this can alternatively be formulated in terms of an extended Lagrangian, by introducing an orthonormality constraint on the firstorder wavefunction. Several numerical examples are provided, which demonstrate the ability of SF-CAS(S) and SF-CAS(S) 1 to describe bond dissociations, singlet-triplet gaps of organic molecules, and exchange coupling parameters for binuclear transition metal complexes. (C) 2014 AIP Publishing LLC. C1 [Mayhall, Nicholas J.; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Mayhall, NJ (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU Scientific Discovery through Advanced Computing (SciDAC) program - (U.S.) Department of Energy (DOE), Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences FX Support for this work was provided through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the (U.S.) Department of Energy (DOE), Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences. NR 69 TC 10 Z9 10 U1 0 U2 20 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2014 VL 141 IS 4 AR 044112 DI 10.1063/1.4889918 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NT UT WOS:000340712200020 PM 25084886 ER PT J AU O'Neal, KR Patete, JM Chen, P Holinsworth, BS Smith, JM Lee, N Cheong, SW Wong, SS Marques, C Aronson, MC Musfeldt, JL AF O'Neal, K. R. Patete, J. M. Chen, P. Holinsworth, B. S. Smith, J. M. Lee, N. Cheong, S. -W. Wong, Stanislaus S. Marques, C. Aronson, M. C. Musfeldt, J. L. TI Size-dependent vibronic coupling in alpha-Fe2O3 SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ELECTRON-PHONON INTERACTIONS; TEMPERATURE-DEPENDENCE; OPTICAL-ABSORPTION; HEMATITE ALPHA-FE2O3; IRON-OXIDE; NANOPARTICLES; SPECTRA; TRANSITION; NANOTUBES; DYNAMICS AB We report the discovery of finite length scale effects on vibronic coupling in nanoscale alpha-Fe2O3 as measured by the behavior of vibronically activated d-d on-site excitations of Fe3+ as a function of size and shape. An oscillator strength analysis reveals that the frequency of the coupled symmetry-breaking phonon changes with size, a crossover that we analyze in terms of increasing three-dimensional character to the displacement pattern. These findings demonstrate the flexibility of mixing processes in confined systems and suggest a strategy for both enhancing and controlling charge-lattice interactions in other materials. (C) 2014 AIP Publishing LLC. C1 [O'Neal, K. R.; Chen, P.; Holinsworth, B. S.; Musfeldt, J. L.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Patete, J. M.; Smith, J. M.; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Lee, N.] Yonsei Univ, Dept Phys, Seoul 120749, South Korea. [Lee, N.] Yonsei Univ, IPAP, Seoul 120749, South Korea. [Cheong, S. -W.] Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. [Cheong, S. -W.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Wong, Stanislaus S.; Aronson, M. C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Marques, C.; Aronson, M. C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP O'Neal, KR (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. FU Materials Science Division, Office of Basic Energy Sciences, U.S. Department of Energy [DE-FG02-01ER45885, DE-AC02-98CH10886, DE-AC02-98CH1886]; National Science Foundation (NSF) [NSF-DMREF-1233349] FX This research is supported by the Materials Science Division, Office of Basic Energy Sciences, U.S. Department of Energy under Award Nos. DE-FG02-01ER45885 (J.L.M., spectroscopy), DE-AC02-98CH10886 (S. S. W., nanoparticle growth and characterization), and DE-AC02-98CH1886 (M. C. A., magnetic properties). Work at Rutgers University is supported by the National Science Foundation (NSF) under Grant No. NSF-DMREF-1233349 (S. W. C., single crystal growth). We thank T. V. Brinzari for useful discussions. NR 57 TC 1 Z9 1 U1 2 U2 25 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2014 VL 141 IS 4 AR 044710 DI 10.1063/1.4887359 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NT UT WOS:000340712200074 PM 25084940 ER PT J AU Liu, CG Marchesini, S Kim, MK AF Liu, Changgeng Marchesini, Stefano Kim, Myung K. TI Quantitative phase-contrast confocal microscope SO OPTICS EXPRESS LA English DT Article ID LINE-SCANNING MICROSCOPE; HOLOGRAPHIC ADAPTIVE OPTICS; DIGITAL HOLOGRAPHY; METRICS AB We present a quantitative phase-contrast confocal microscope (QPCCM) by combining a line-scanning confocal system with digital holography (DH). This combination can merge the merits of these two different imaging modalities. High-contrast intensity images with low coherent noise, and the optical sectioning capability are made available due to the confocality. Phase profiles of the samples become accessible thanks to DH. QPCCM is able to quantitatively measure the phase variations of optical sections of the opaque samples and has the potential to take high-quality intensity and phase images of non-opaque samples such as many biological samples. Because each line scan is recorded by a hologram that may contain the optical aberrations of the system, it opens avenues for a variety of numerical aberration compensation methods and development of full digital adaptive optics confocal system to emulate current hardware-based adaptive optics system for biomedical imaging, especially ophthalmic imaging. Preliminary experiments with a microscope objective of NA 0.65 and 40 x on opaque samples are presented to demonstrate this idea. The measured lateral and axial resolutions of the intensity images from the current system are similar to 0.64 mu m and similar to 2.70 mu m respectively. The noise level of the phase profile by QPCCM is similar to 2.4nm which is better than the result by DH. (C) 2014 Optical Society of America C1 [Liu, Changgeng; Kim, Myung K.] Univ S Florida, Dept Phys, Digital Holog & Microscopy Lab, Tampa, FL 33620 USA. [Marchesini, Stefano] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Kim, MK (reprint author), Univ S Florida, Dept Phys, Digital Holog & Microscopy Lab, Tampa, FL 33620 USA. EM mkkim@usf.edu RI Kim, Myung/L-3575-2014 OI Kim, Myung/0000-0002-2818-8928 FU Frank E Duckwall foundation; Center for Applied Mathematics for Energy Research Applications; National Eye Institute of the National Institute of Health [R21EY021876]; Basic Energy Sciences and Advanced Scientific Computing Research at the U.S. Department of Energy FX C. Liu got this idea while working at Lawrence Berkeley National Laboratory in the summer of 2013. C. Liu would like to thank Frank E Duckwall foundation for the financial support. S. Marchesini's work is partially supported by the Center for Applied Mathematics for Energy Research Applications, which is a partnership between Basic Energy Sciences and Advanced Scientific Computing Research at the U.S. Department of Energy. The authors would like to thank Richard Everly at Nanotechnology Research and Education Center of USF Tampa for the preparation of the silicon wafer and the depth measurement. This work has been supported in part by the National Eye Institute of the National Institute of Health under Award Number R21EY021876. NR 21 TC 7 Z9 7 U1 0 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUL 28 PY 2014 VL 22 IS 15 BP 17830 EP 17839 DI 10.1364/OE.22.017830 PG 10 WC Optics SC Optics GA AN6DV UT WOS:000340685600025 PM 25089404 ER PT J AU Driscoll, JB Chen, CP Grote, RR Souhan, B Dadap, JI Stein, A Lu, M Bergman, K Osgood, RM AF Driscoll, Jeffrey B. Chen, Christine P. Grote, Richard R. Souhan, Brian Dadap, Jerry I. Stein, Aaron Lu, Ming Bergman, Keren Osgood, Richard M., Jr. TI A 60 Gb/s MDM-WDM Si photonic link with < 0.7 dB power penalty per channel SO OPTICS EXPRESS LA English DT Article ID ASYMMETRIC Y-JUNCTIONS; ON-CHIP; WAVE-GUIDES; MULTI/DEMULTIPLEXER; MULTIPLEXER; CONVERSION; NETWORKS; DEVICES; DESIGN AB Mode-division-multiplexing (MDM) and wavelength-division-multiplexing (WDM) are employed simultaneously in a multimode silicon waveguide to realize on-chip MDM and MDM-WDM transmission. Asymmetric Y-junction MDM multiplexers and demultiplexers are utilized for low coherently suppressed demultiplexed crosstalk at the receiver. We demonstrate aggregate bandwidths of 20 Gb/s and 60 Gb/s for MDM and MDM-WDM on-chip links, respectively, with measured 10(-9) BER power penalties between 0.1 dB and 0.7 dB per channel. (C) 2014 Optical Society of America C1 [Driscoll, Jeffrey B.; Grote, Richard R.; Souhan, Brian; Dadap, Jerry I.; Osgood, Richard M., Jr.] Columbia Univ, Microelect Sci Labs, New York, NY 10027 USA. [Driscoll, Jeffrey B.; Chen, Christine P.; Grote, Richard R.; Souhan, Brian; Dadap, Jerry I.; Bergman, Keren; Osgood, Richard M., Jr.] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. [Stein, Aaron; Lu, Ming] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Driscoll, JB (reprint author), Columbia Univ, Microelect Sci Labs, New York, NY 10027 USA. EM jbd2112@columbia.edu OI Stein, Aaron/0000-0003-4424-5416 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Foundation; Intel/SRC Master's Scholarship; Columbia Optics and Quantum Electronics IGERT under NSF [DGE-1069420] FX This research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors gratefully acknowledge support of this work by the National Science Foundation, Columbia Optics and Quantum Electronics IGERT under NSF grant DGE-1069420 and the Intel/SRC Master's Scholarship. NR 22 TC 27 Z9 27 U1 1 U2 29 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUL 28 PY 2014 VL 22 IS 15 BP 18543 EP 18555 DI 10.1364/OE.22.018543 PG 13 WC Optics SC Optics GA AN6DV UT WOS:000340685600095 PM 25089474 ER PT J AU Yang, F Ovchinnikov, M Shaw, RA AF Yang, Fan Ovchinnikov, Mikhail Shaw, Raymond A. TI Microphysical consequences of the spatial distribution of ice nucleation in mixed-phase stratiform clouds SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article AB Mixed-phase stratiform clouds can persist even with steady ice precipitation fluxes, and the origin and microphysical properties of the ice crystals are of interest. Vapor deposition growth and sedimentation of ice particles along with a uniform volume source of ice nucleation lead to a power law relation between ice water content w(i) and ice number concentration n(i) with exponent 2.5. The result is independent of assumptions about the vertical velocity structure of the cloud and is therefore more general than the related expression of Yang et al. (2013). The sensitivity of the w(i) - n(i) relationship to the spatial distribution of ice nucleation is confirmed by Lagrangian tracking and ice growth with cloud volume, cloud top, and cloud base sources of ice particles through a time-dependent cloud field. Based on observed w(i) and n(i) from Indirect and Semi-Direct Aerosol Campaign, a lower bound of 0.006 m(-3) s(-1) is obtained for the ice crystal formation rate. C1 [Yang, Fan; Shaw, Raymond A.] Michigan Technol Univ, Atmospher Sci Program, Houghton, MI 49931 USA. [Ovchinnikov, Mikhail] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shaw, RA (reprint author), Michigan Technol Univ, Atmospher Sci Program, Houghton, MI 49931 USA. EM rashaw@mtu.edu FU DOE Office of Science as part of the Atmospheric System Research program [DE-SC0006949] FX This research was supported by the DOE Office of Science as part of the Atmospheric System Research program, including through grant DE-SC0006949, and used data from the Atmospheric Radiation Measurement Climate Research Facility. Simulations were performed using PNNL Institutional Computing at Pacific Northwest National Laboratory. NR 11 TC 1 Z9 1 U1 2 U2 15 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 28 PY 2014 VL 41 IS 14 BP 5280 EP 5287 DI 10.1002/2014GL060657 PG 8 WC Geosciences, Multidisciplinary SC Geology GA AN4CU UT WOS:000340536000049 ER PT J AU Hull, LM Gray, GT Warthen, BJ AF Hull, L. M. Gray, G. T., III Warthen, B. J. TI Dynamic density field measurements of an explosively driven alpha -> epsilon phase transition in iron SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SHOCK-WAVE; HIGH-PRESSURE; SOLIDS; TRANSFORMATIONS; PROPAGATION; EVOLUTION; ALLOYS AB We provide a unique set of observations of the behavior of the alpha -> epsilon phase transition under a complex axially symmetric loading path created by sweeping a detonation wave along the end surface of a cylindrical sample. The primary data sets are the measured mass density distributions acquired at 5 independent times during the sweep of the detonation along the surface. Shocked regions and boundaries are measured, as well as regions and boundaries of elevated density (presumed to be the epsilon-phase iron). The formation and dynamics of these regions were captured and are available for comparisons to material descriptions. We also applied 16 Photon Doppler Velocimetry probes to capture the free surface velocity along a discrete set of radially distributed points in order to compare and correlate the density measurements with previous shock wave studies. The velocimetry data are in nearly exact agreement with previous shock wave studies of the alpha -> epsilon phase transition, the density distributions, while generally in agreement with expectations evolved from the shock wave studies, show that the epsilon phase is generated in regions of high shear stress but at hydrostatic stresses below the typically quoted 13 GPa value. The density field measurements are particularly useful for observing the effects of the forward and reverse transformation kinetics, as well as the reverse transformation hysteresis. (C) 2014 AIP Publishing LLC. C1 [Hull, L. M.; Gray, G. T., III; Warthen, B. J.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Hull, LM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. FU U.S. Department of Energy FX The execution of an experiment at a large facility such as DARHT necessarily involves large numbers of people and often their predecessors. Various funding sources are also involved. Special recognition is given to the accelerator and operations teams, the Gamma Ray Camera team, the PDV team, and the mechanical design team, because they each fine-tuned their respective contributions to make this particular experiment so successful. The work was performed under the auspices of the U.S. Department of Energy. NR 39 TC 1 Z9 1 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 28 PY 2014 VL 116 IS 4 AR 043504 DI 10.1063/1.4890509 PG 16 WC Physics, Applied SC Physics GA AN6NF UT WOS:000340710700016 ER PT J AU Miyanishi, K Ozaki, N Brambrink, E Amadou, N Benuzzi-Mounaix, A Cauble, R Diziere, A Guyot, F Koenig, M Morard, G de Resseguier, T Ravasio, A Smith, R Tange, Y Vinci, T Wei, HG Kodama, R AF Miyanishi, K. Ozaki, N. Brambrink, E. Amadou, N. Benuzzi-Mounaix, A. Cauble, R. Diziere, A. Guyot, F. Koenig, M. Morard, G. de Resseguier, T. Ravasio, A. Smith, R. Tange, Y. Vinci, T. Wei, H. G. Kodama, R. TI Characterization of laser-driven ultrafast shockless compression using gold targets SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB Indirect laser-driven shockless compression experiments on gold targets were performed to characterize pressure loading processes and target states. Free surface velocities of the gold target under ramped pressure loading were measured using line-imaging velocity interferometers. From the velocity data and the equation of state, the maximum pressure and strain rate attained under compression were estimated to be similar to 50 GPa and similar to 4 x 10(7) s(-1), respectively. Optical reflectivity was measured simultaneously with the velocity, the result suggesting no significant or unexpected temperature increases in the ultrafast shockless compression process. (C) 2014 AIP Publishing LLC. C1 [Miyanishi, K.; Ozaki, N.; Kodama, R.] Osaka Univ, Grad Sch Engn, Suita, Osaka 5650871, Japan. [Ozaki, N.; Kodama, R.] Osaka Univ, Photon Pioneers Ctr, Suita, Osaka 5650871, Japan. [Brambrink, E.; Amadou, N.; Benuzzi-Mounaix, A.; Diziere, A.; Koenig, M.; Ravasio, A.; Vinci, T.] Univ Paris 06, Ecole Polytech, CNRS, Lab Utilisat Lasers Intenses,UMR7605,CEA, F-91128 Palaiseau, France. [Benuzzi-Mounaix, A.] Univ Paris Diderot, CNRS, LUTH, Observ Paris, F-92195 Meudon, France. [Cauble, R.; Smith, R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Guyot, F.; Morard, G.] Univ Paris 06, Inst Mineral & Phys Milieux Condenses, F-75005 Paris, France. [Koenig, M.] Osaka Univ, Inst Acad Initiat, Suita, Osaka 5650871, Japan. [de Resseguier, T.] ENSMA, CNRS, Inst PPRIME, F-86961 Futuroscope, France. [Tange, Y.] Ehime Univ, Geodynam Res Ctr, Matsuyama, Ehime 7908577, Japan. [Wei, H. G.] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. RP Miyanishi, K (reprint author), Osaka Univ, Grad Sch Engn, 2-2 Yamadaoka, Suita, Osaka 5650871, Japan. EM miyanishi@ef.eie.eng.osaka-u.ac.jp; norimasa.ozaki@eei.eng.osaka-u.ac.jp RI Tange, Yoshinori/A-6853-2014; GUYOT, Francois/C-3824-2016; IMPMC, Geobio/F-8819-2016; Kodama, Ryosuke/G-2627-2016 OI GUYOT, Francois/0000-0003-4622-2218; FU Japan Society for the Promotion of Science [22684032, 22224012]; Ministry of Education, Culture, Sports, Science and Technology; ANR of NSAF [ANR-07-BLAN-0239] FX We would like to thank all the staff at Laboratoire pour l'Utilisation des Lasers Intenses for their technical supports. This research was partially supported by Grants from Grants-in-Aid for Scientific Research (Grant Nos. 22684032 and 22224012) and the Core-to-Core Program on International Alliance for Material Science in Extreme States with High Power Laser and XFEL of the Japan Society for the Promotion of Science, from the Global Center of Excellence Program, and the X-ray Free Electron Laser Priority Strategy Program of the Ministry of Education, Culture, Sports, Science and Technology, and from the ANR Project SECHEL (Grant No. ANR-07-BLAN-0239) of NSAF. NR 24 TC 0 Z9 1 U1 1 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 28 PY 2014 VL 116 IS 4 AR 043521 DI 10.1063/1.4891802 PG 4 WC Physics, Applied SC Physics GA AN6NF UT WOS:000340710700033 ER PT J AU Rajpalke, MK Linhart, WM Birkett, M Yu, KM Alaria, J Kopaczek, J Kudrawiec, R Jones, TS Ashwin, MJ Veal, TD AF Rajpalke, M. K. Linhart, W. M. Birkett, M. Yu, K. M. Alaria, J. Kopaczek, J. Kudrawiec, R. Jones, T. S. Ashwin, M. J. Veal, T. D. TI High Bi content GaSbBi alloys SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-BEAM EPITAXY; GROWTH; GAAS1-XBIX AB The epitaxial growth, structural, and optical properties of GaSb1-xBix alloys have been investigated. The Bi incorporation into GaSb is varied in the range 0 < x <= 9.6% by varying the growth rate (0.31-1.33 mu m h(-1)) at two growth temperatures (250 and 275 degrees C). The Bi content is inversely proportional to the growth rate, but with higher Bi contents achieved at 250 than at 275 degrees C. A maximum Bi content of x = 9.6% is achieved with the Bi greater than 99% substitutional. Extrapolating the linear variation of lattice parameter with Bi content in the GaSbBi films enabled a zinc blende GaBi lattice parameter to be estimated of 6.272 angstrom. The band gap at 300 K of the GaSbBi epitaxial layers decreases linearly with increasing Bi content down to 410 +/- 40 meV (3 mu m) for x = 9.6%, corresponding to a reduction of similar to 35 meV/% Bi. Photoluminescence indicates a band gap of 490 +/- 5 meV at 15 K for x = 9.6%. (C) 2014 Author(s). C1 [Rajpalke, M. K.; Linhart, W. M.; Birkett, M.; Alaria, J.; Veal, T. D.] Univ Liverpool, Stephenson Inst Renewable Energy, Liverpool L69 7ZF, Merseyside, England. [Rajpalke, M. K.; Linhart, W. M.; Birkett, M.; Alaria, J.; Veal, T. D.] Univ Liverpool, Dept Phys, Sch Phys Sci, Liverpool L69 7ZF, Merseyside, England. [Yu, K. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Kopaczek, J.; Kudrawiec, R.] Wroclaw Univ Technol, Inst Phys, PL-50370 Wroclaw, Poland. [Jones, T. S.; Ashwin, M. J.] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England. RP Rajpalke, MK (reprint author), Univ Liverpool, Stephenson Inst Renewable Energy, Liverpool L69 7ZF, Merseyside, England. EM M.J.Ashwin@warwick.ac.uk; T.Veal@liverpool.ac.uk RI Veal, Tim/A-3872-2010; ashwin, mark/A-2426-2014; OI Veal, Tim/0000-0002-0610-5626; Birkett, Max/0000-0002-6076-6820; Alaria, Jonathan/0000-0001-5868-0318; ashwin, mark/0000-0001-8657-8097; Yu, Kin Man/0000-0003-1350-9642 FU University of Liverpool; Engineering and Physical Sciences Research Council (EPSRC) [EP/G004447/2, EP/H021388/1]; NCN [2012/07/E/ST3/01742]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX The work at Liverpool and Warwick was supported by the University of Liverpool and the Engineering and Physical Sciences Research Council (EPSRC) under Grant Nos. EP/G004447/2 and EP/H021388/1 and the work at Wroclaw by the NCN (Grant No. 2012/07/E/ST3/01742). RBS measurements performed at Lawrence Berkeley National Lab were supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 24 TC 13 Z9 14 U1 2 U2 35 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 28 PY 2014 VL 116 IS 4 AR 043511 DI 10.1063/1.4891217 PG 5 WC Physics, Applied SC Physics GA AN6NF UT WOS:000340710700023 ER PT J AU Schmidt, AR Henry, E Lo, CC Wang, YT Li, H Greenman, L Namaan, O Schenkel, T Whaley, KB Bokor, J Yablonovitch, E Siddiqi, I AF Schmidt, A. R. Henry, E. Lo, C. C. Wang, Y. -T. Li, H. Greenman, L. Namaan, O. Schenkel, T. Whaley, K. B. Bokor, J. Yablonovitch, E. Siddiqi, I. TI A prototype silicon double quantum dot with dispersive microwave readout SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SINGLE-ELECTRON SPIN; CIRCUIT; QUBIT; ELECTRODYNAMICS; OSCILLATIONS; SYSTEMS AB We present a unique design and fabrication process for a lateral, gate-confined double quantum dot in an accumulation mode metal-oxide-semiconductor (MOS) structure coupled to an integrated microwave resonator. All electrostatic gates for the double quantum dot are contained in a single metal layer, and use of the MOS structure allows for control of the location of the two-dimensional electron gas via the location of the accumulation gates. Numerical simulations of the electrostatic confinement potential are performed along with an estimate of the coupling of the double quantum dot to the microwave resonator. Prototype devices are fabricated and characterized by transport measurements of electron confinement and reflectometry measurements of the microwave resonator. (C) 2014 AIP Publishing LLC. C1 [Schmidt, A. R.; Henry, E.; Namaan, O.; Siddiqi, I.] Univ Calif Berkeley, Dept Phys, Quantum Nanoelect Lab, Berkeley, CA 94720 USA. [Lo, C. C.; Wang, Y. -T.; Bokor, J.; Yablonovitch, E.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Li, H.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Li, H.; Greenman, L.; Whaley, K. B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Schenkel, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Accelerator & Fus Res Div, Berkeley, CA 94720 USA. RP Schmidt, AR (reprint author), IBM Corp, Emeryville, CA 94608 USA. EM andrewrobertschmidt@gmail.com; irfan_siddiqi@berkeley.edu RI Siddiqi, Irfan/E-5548-2015 FU DARPA Quest Program [N66001-09-1-2027] FX The authors thank K. C. Nowack, O. E. Dial, K. Murch, and R. Vijay for helpful discussions. M. G. House and H.-W. Jiang, in particular, provided extensive help with this project. This research was supported by the DARPA Quest Program under Grant No. N66001-09-1-2027. NR 47 TC 3 Z9 3 U1 1 U2 26 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 28 PY 2014 VL 116 IS 4 AR 044503 DI 10.1063/1.4890835 PG 7 WC Physics, Applied SC Physics GA AN6NF UT WOS:000340710700093 ER PT J AU Yan, Y Laskar, A Cheng, Z Menq, F Tang, Y Mo, YL Shi, Z AF Yan, Y. Laskar, A. Cheng, Z. Menq, F. Tang, Y. Mo, Y. L. Shi, Z. TI Seismic isolation of two dimensional periodic foundations SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID BAND-STRUCTURE; CRYSTALS; GAPS AB Phononic crystal is now used to control acoustic waves. When the crystal goes to a larger scale, it is called periodic structure. The band gaps of the periodic structure can be reduced to range from 0.5 Hz to 50 Hz. Therefore, the periodic structure has potential applications in seismic wave reflection. In civil engineering, the periodic structure can be served as the foundation of upper structure. This type of foundation consisting of periodic structure is called periodic foundation. When the frequency of seismic waves falls into the band gaps of the periodic foundation, the seismic wave can be blocked. Field experiments of a scaled two dimensional (2D) periodic foundation with an upper structure were conducted to verify the band gap effects. Test results showed the 2D periodic foundation can effectively reduce the response of the upper structure for excitations with frequencies within the frequency band gaps. When the experimental and the finite element analysis results are compared, they agree well with each other, indicating that 2D periodic foundation is a feasible way of reducing seismic vibrations. (C) 2014 AIP Publishing LLC. C1 [Yan, Y.; Mo, Y. L.] Univ Houston, Houston, TX 77004 USA. [Laskar, A.] Indian Inst Technol, Bombay 400076, Maharashtra, India. [Cheng, Z.; Shi, Z.] Beijing Jiaotong Univ, Beijing, Peoples R China. [Menq, F.] Univ Texas Austin, Austin, TX 78712 USA. [Tang, Y.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Mo, YL (reprint author), Univ Houston, Houston, TX 77004 USA. EM yilungmo@central.uh.edu RI Cheng, Zhibao/G-7535-2011 OI Cheng, Zhibao/0000-0003-0988-970X FU U.S. Department of Energy NEUP Program [3219]; National Natural Science Foundation of China [51178036] FX The authors acknowledge the support of the U.S. Department of Energy NEUP Program (Project No. 3219) and the National Natural Science Foundation of China (51178036). The materials presented are the research findings by the authors, and are not necessarily expressed for the funding agencies' opinion. NR 21 TC 9 Z9 9 U1 6 U2 41 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 28 PY 2014 VL 116 IS 4 AR 044908 DI 10.1063/1.4891837 PG 12 WC Physics, Applied SC Physics GA AN6NF UT WOS:000340710700114 ER PT J AU Yin, PC Bayaguud, A Cheng, P Haso, F Hu, L Wang, J Vezenov, D Winans, RE Hao, J Li, T Wei, YG Liu, TB AF Yin, Panchao Bayaguud, Aruuhan Cheng, Peng Haso, Fadi Hu, Lang Wang, Joy Vezenov, Dmitri Winans, Randall E. Hao, Jian Li, Tao Wei, Yongge Liu, Tianbo TI Spontaneous Stepwise Self-Assembly of a Polyoxometalate-Organic Hybrid into Catalytically Active One-Dimensional Anisotropic Structures SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE catalysis; noncovalent interactions; organic-inorganic hybrid; polyoxometalates; self-assembly ID SUPRAMOLECULAR POLYMERIZATION; NANOPARTICLES; NANOSCALE; MOLECULES; CHEMISTRY; PEPTIDES; POLYMERS; DESIGN AB An inorganic-organic hybrid surfactant with a hexavanadate cluster as the polar head group was designed and observed to assemble into micelle structures, which further spontaneously coagulate into a 1D anisotropic structure in aqueous solutions. Such a hierarchical self-assembly process is driven by the cooperation of varied noncovalent interactions, including hydrophobic, electrostatic, and hydrogen-bonding interactions. The hydrophobic interaction drives the quick formation of the micelle structure; electrostatic interactions involving counterions leads to the further coagulation of the micelles into larger assemblies. This process is similar to the crystallization process, but the specific counterions and the directional hydrogen bonding lead to the 1D growth of the final assemblies. Since most of the hexavanadates are exposed to the surface, the 1D assembly with nanoscale thickness is a highly efficient heterogeneous catalyst for the oxidation of organic sulfides with appreciable recyclability. C1 [Yin, Panchao; Haso, Fadi; Hu, Lang; Liu, Tianbo] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. [Yin, Panchao; Cheng, Peng; Haso, Fadi; Wang, Joy; Vezenov, Dmitri; Liu, Tianbo] Lehigh Univ, Dept Chem, Bethlehem, PA 18015 USA. [Bayaguud, Aruuhan; Hao, Jian; Wei, Yongge] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China. [Winans, Randall E.; Li, Tao] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Li, T (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. EM taoli@aps.anl.gov; yonggewei@mail.tsinghua.edu.cn; tliu@uakron.edu RI li, tao/K-8911-2012; Yin, Panchao/J-3322-2013; Liu, Tianbo/D-8915-2017 OI li, tao/0000-0001-5454-1468; Yin, Panchao/0000-0003-2902-8376; Liu, Tianbo/0000-0002-8181-1790 FU NSF [CHE1305756]; Lehigh University; University of Akron; Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences; chemistry department of Lehigh University; U.S. DOE [ED-AC02-06CH11357]; Tsinghua University Initiative Foundation Research Program [20101081771]; NSFC [21225103, 21221062]; THSJZ FX This work is supported by NSF (CHE1305756), Lehigh University, and the University of Akron. This material is based upon work supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. P.Y. acknowledges the department fellowship from chemistry department of Lehigh University and Bob Jagendorf for providing us with the picture of factory. T. L. and R. E. W. are thankful for the use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) and Office of Science by Argonne National Laboratory, supported by the U.S. DOE under Contract No. ED-AC02-06CH11357. Y.W. acknowledges the support of Tsinghua University Initiative Foundation Research Program No. 20101081771 and NSFC (Nos. 21225103 and 21221062) and THSJZ. We thank Dr. Xiaobing Zuo and Dr. Byeongdu Lee for helpful discussions. NR 45 TC 20 Z9 20 U1 9 U2 104 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD JUL 28 PY 2014 VL 20 IS 31 BP 9589 EP 9595 DI 10.1002/chem.201402974 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA AM9CG UT WOS:000340176600018 PM 25042979 ER PT J AU Aaltonen, T Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Appel, JA Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Auerbach, B Aurisano, A Azfar, F Badgett, W Bae, T Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bauce, M Bedeschi, F Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Bhatti, A Bland, KR Blumenfeld, B Bocci, A Bodek, A Bortoletto, D Boudreau, J Boveia, A Brigliadori, L Bromberg, C Brucken, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Butti, P Buzatu, A Calamba, A Camarda, S Campanelli, M Canelli, F Carls, B Carlsmith, D Carosi, R Carrillo, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chen, YC Chertok, M Chiarelli, G Chlachidze, G Cho, K Chokheli, D Clark, A Clarke, C Convery, ME Conway, J Corbo, M Cordelli, M Cox, CA Cox, DJ Cremonesi, M Cruz, D Cuevas, J Culbertson, R d'Ascenzo, N Datta, M de Barbaro, P Demortier, L Deninno, M Devoto, F D'Errico, M Di Canto, A Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dorigo, M Driutti, A Ebina, K Edgar, R Elagin, A Erbacher, R Errede, S Esham, B Farrington, S Feindt, M Ramos, JPF Field, R Flanagan, G Forrest, R Franklin, M Freeman, JC Frisch, H Funakoshi, Y Galloni, C Garfinkel, AF Garosi, P Gerberich, H Gerchtein, E Giagu, S Giakoumopoulou, V Gibson, K Ginsburg, CM Giokaris, N Giromini, P Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldin, D Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Lopez, OG Gorelov, I Goshaw, AT Goulianos, K Gramellini, E Grinstein, S Grosso-Pilcher, C Group, RC da Costa, JG Hahn, SR Han, JY Happacher, F Hara, K Hare, M Harr, RF Harrington-Taber, T Hatakeyama, K Hays, C Heck, M Heinrich, J Herndon, M Hocker, A Hong, Z Hopkins, W Hou, S Hughes, RE Husemann, U Hussein, M Huston, J Introzzi, G Iori, M Ivanov, A James, E Jang, D Jayatilaka, B Jeon, EJ Jindariani, S Jones, M Joo, KK Jun, SY Junk, TR Kambeitz, M Kamon, T Karchin, PE Kasmi, A Kato, Y Ketchum, W Keung, J Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kim, YJ Kimura, N Kirby, M Knoepfel, K Kondo, K Kong, DJ Konigsberg, J Kotwal, AV Kreps, M Kroll, J Kruse, M Kuhr, T Kurata, M Laasanen, AT Lammel, S Lancaster, M Lannon, K Latino, G Lee, HS Lee, JS Leo, S Leone, S Lewis, JD Limosani, A Lipeles, E Lister, A Liu, H Liu, Q Liu, T Lockwitz, S Loginov, A Luca, A Lucchesi, D Lueck, J Lujan, P Lukens, P Lungu, G Lys, J Lysak, R Madrak, R Maestro, P Malik, S Manca, G Manousakis-Katsikakis, A Marchese, L Margaroli, F Marino, P Martinez, M Matera, K Mattson, ME Mazzacane, A Mazzanti, P McNulty, R Mehta, A Mehtala, P Mesropian, C Miao, T Mietlicki, D Mitra, A Miyake, H Moed, S Moggi, N Moon, CS Moore, R Morello, MJ Mukherjee, A Muller, T Murat, P Mussini, M Nachtman, J Nagai, Y Naganoma, J Nakano, I Napier, A Nett, J Neu, C Nigmanov, T Nodulman, L Noh, SY Norniella, O Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Ortolan, L Pagliarone, C Palencia, E Palni, P Papadimitriou, V Parker, W Pauletta, G Paulini, M Paus, C Phillips, TJ Piacentino, G Pianori, E Pilot, J Pitts, K Plager, C Pondrom, L Poprocki, S Potamianos, K Prokoshin, F Pranko, A Ptohos, F Punzi, G Ranjan, N Fernandez, I Renton, P Rescigno, M Rimondi, F Ristori, L Robson, A Rodriguez, T Rolli, S Ronzani, M Roser, R Rosner, JL Ruffini, F Ruiz, A Russ, J Rusu, V Sakumoto, WK Sakurai, Y Santi, L Sato, K Saveliev, V Savoy-Navarro, A Schlabach, P Schmidt, EE Schwarz, T Scodellaro, L Scuri, F Seidel, S Seiya, Y Semenov, A Sforza, F Shalhout, SZ Shears, T Shepard, PF Shimojima, M Shochet, M Shreyber-Tecker, I Simonenko, A Sliwa, K Smith, JR Snider, FD Sorin, V Song, H Stancari, M St Denis, R Stentz, D Strologas, J Sudo, Y Sukhanov, A Suslov, I Takemasa, K Takeuchi, Y Tang, J Tecchio, M Teng, PK Thom, J Thomson, E Thukral, V Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Totaro, P Trovato, M Ukegawa, F Uozumi, S Vazquez, F Velev, G Vellidis, C Vernieri, C Vidal, M Vilar, R Vizan, J Vogel, M Volpi, G Wagner, P Wallny, R Wang, SM Waters, D Wester, WC Whiteson, D Wicklund, AB Wilbur, S Williams, HH Wilson, JS Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, H Wright, T Wu, X Wu, Z Yamamoto, K Yamato, D Yang, T Yang, UK Yang, YC Yao, WM Yeh, GP Yi, K Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Zanetti, AM Zeng, Y Zhou, C Zucchelli, S AF Aaltonen, T. Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Appel, J. A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Auerbach, B. Aurisano, A. Azfar, F. Badgett, W. Bae, T. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Barria, P. Bartos, P. Bauce, M. Bedeschi, F. Behari, S. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Bhatti, A. Bland, K. R. Blumenfeld, B. Bocci, A. Bodek, A. Bortoletto, D. Boudreau, J. Boveia, A. Brigliadori, L. Bromberg, C. Brucken, E. Budagov, J. Budd, H. S. Burkett, K. Busetto, G. Bussey, P. Butti, P. Buzatu, A. Calamba, A. Camarda, S. Campanelli, M. Canelli, F. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Cho, K. Chokheli, D. Clark, A. Clarke, C. Convery, M. E. Conway, J. Corbo, M. Cordelli, M. Cox, C. A. Cox, D. J. Cremonesi, M. Cruz, D. Cuevas, J. Culbertson, R. d'Ascenzo, N. Datta, M. de Barbaro, P. Demortier, L. Deninno, M. Devoto, F. D'Errico, M. Di Canto, A. Di Ruzza, B. Dittmann, J. R. D'Onofrio, M. Donati, S. Dorigo, M. Driutti, A. Ebina, K. Edgar, R. Elagin, A. Erbacher, R. Errede, S. Esham, B. Farrington, S. Feindt, M. Fernandez Ramos, J. P. Field, R. Flanagan, G. Forrest, R. Franklin, M. Freeman, J. C. Frisch, H. Funakoshi, Y. Galloni, C. Garfinkel, A. F. Garosi, P. Gerberich, H. Gerchtein, E. Giagu, S. Giakoumopoulou, V. Gibson, K. Ginsburg, C. M. Giokaris, N. Giromini, P. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldin, D. Golossanov, A. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez Lopez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gramellini, E. Grinstein, S. Grosso-Pilcher, C. Group, R. C. da Costa, J. Guimaraes Hahn, S. R. Han, J. Y. Happacher, F. Hara, K. Hare, M. Harr, R. F. Harrington-Taber, T. Hatakeyama, K. Hays, C. Heck, M. Heinrich, J. Herndon, M. Hocker, A. Hong, Z. Hopkins, W. Hou, S. Hughes, R. E. Husemann, U. Hussein, M. Huston, J. Introzzi, G. Iori, M. Ivanov, A. James, E. Jang, D. Jayatilaka, B. Jeon, E. J. Jindariani, S. Jones, M. Joo, K. K. Jun, S. Y. Junk, T. R. Kambeitz, M. Kamon, T. Karchin, P. E. Kasmi, A. Kato, Y. Ketchum, W. Keung, J. Kilminster, B. Kim, D. H. Kim, H. S. Kim, J. E. Kim, M. J. Kim, S. B. Kim, S. H. Kim, Y. K. Kim, Y. J. Kimura, N. Kirby, M. Knoepfel, K. Kondo, K. Kong, D. J. Konigsberg, J. Kotwal, A. V. Kreps, M. Kroll, J. Kruse, M. Kuhr, T. Kurata, M. Laasanen, A. T. Lammel, S. Lancaster, M. Lannon, K. Latino, G. Lee, H. S. Lee, J. S. Leo, S. Leone, S. Lewis, J. D. Limosani, A. Lipeles, E. Lister, A. Liu, H. Liu, Q. Liu, T. Lockwitz, S. Loginov, A. Luca, A. Lucchesi, D. Lueck, J. Lujan, P. Lukens, P. Lungu, G. Lys, J. Lysak, R. Madrak, R. Maestro, P. Malik, S. Manca, G. Manousakis-Katsikakis, A. Marchese, L. Margaroli, F. Marino, P. Martinez, M. Matera, K. Mattson, M. E. Mazzacane, A. Mazzanti, P. McNulty, R. Mehta, A. Mehtala, P. Mesropian, C. Miao, T. Mietlicki, D. Mitra, A. Miyake, H. Moed, S. Moggi, N. Moon, C. S. Moore, R. Morello, M. J. Mukherjee, A. Muller, Th. Murat, P. Mussini, M. Nachtman, J. Nagai, Y. Naganoma, J. Nakano, I. Napier, A. Nett, J. Neu, C. Nigmanov, T. Nodulman, L. Noh, S. Y. Norniella, O. Oakes, L. Oh, S. H. Oh, Y. D. Oksuzian, I. Okusawa, T. Orava, R. Ortolan, L. Pagliarone, C. Palencia, E. Palni, P. Papadimitriou, V. Parker, W. Pauletta, G. Paulini, M. Paus, C. Phillips, T. J. Piacentino, G. Pianori, E. Pilot, J. Pitts, K. Plager, C. Pondrom, L. Poprocki, S. Potamianos, K. Prokoshin, F. Pranko, A. Ptohos, F. Punzi, G. Ranjan, N. Redondo Fernandez, I. Renton, P. Rescigno, M. Rimondi, F. Ristori, L. Robson, A. Rodriguez, T. Rolli, S. Ronzani, M. Roser, R. Rosner, J. L. Ruffini, F. Ruiz, A. Russ, J. Rusu, V. Sakumoto, W. K. Sakurai, Y. Santi, L. Sato, K. Saveliev, V. Savoy-Navarro, A. Schlabach, P. Schmidt, E. E. Schwarz, T. Scodellaro, L. Scuri, F. Seidel, S. Seiya, Y. Semenov, A. Sforza, F. Shalhout, S. Z. Shears, T. Shepard, P. F. Shimojima, M. Shochet, M. Shreyber-Tecker, I. Simonenko, A. Sliwa, K. Smith, J. R. Snider, F. D. Sorin, V. Song, H. Stancari, M. St Denis, R. Stentz, D. Strologas, J. Sudo, Y. Sukhanov, A. Suslov, I. Takemasa, K. Takeuchi, Y. Tang, J. Tecchio, M. Teng, P. K. Thom, J. Thomson, E. Thukral, V. Toback, D. Tokar, S. Tollefson, K. Tomura, T. Tonelli, D. Torre, S. Torretta, D. Totaro, P. Trovato, M. Ukegawa, F. Uozumi, S. Vazquez, F. Velev, G. Vellidis, C. Vernieri, C. Vidal, M. Vilar, R. Vizan, J. Vogel, M. Volpi, G. Wagner, P. Wallny, R. Wang, S. M. Waters, D. Wester, W. C., III Whiteson, D. Wicklund, A. B. Wilbur, S. Williams, H. H. Wilson, J. S. Wilson, P. Winer, B. L. Wittich, P. Wolbers, S. Wolfe, H. Wright, T. Wu, X. Wu, Z. Yamamoto, K. Yamato, D. Yang, T. Yang, U. K. Yang, Y. C. Yao, W. -M. Yeh, G. P. Yi, K. Yoh, J. Yorita, K. Yoshida, T. Yu, G. B. Yu, I. Zanetti, A. M. Zeng, Y. Zhou, C. Zucchelli, S. CA CDF Collaboration TI Study of orbitally excited B mesons and evidence for a new B pi resonance SO PHYSICAL REVIEW D LA English DT Article ID HEAVY-LIGHT MESONS; QUARK; DETECTOR; DECAYS; PACKAGE AB Using the full CDF Run II data sample, we report evidence for a new resonance, which we refer to as B(5970), found simultaneously in the B-0 pi(+) and B+pi(-) mass distributions with a significance of 4.4 standard deviations. We further report the first study of resonances consistent with orbitally excited B+ mesons and an updated measurement of the properties of orbitally excited B-0 and B-s(0) mesons. We measure the masses and widths of all states, as well as the relative production rates of the B-1, B-2*, and B(5970) states and the branching fraction of the B-s2*(0) B-s2*(0) state to either B*K-+(-) and B+K-. Furthermore, we measure the production rates of the orbitally excited B-0,B-+ states relative to the B-0,B-+ ground state. The masses of the new B(5970) resonances are 5978 +/- 5(stat) +/- 12(syst)MeV/c(2) for the neutral state and 5961 +/- 5(stat) +/- 12(syst) MeV/c(2) for the charged state, assuming that the resonance decays into B pi final states. The properties of the orbitally excited and the new B(5970)(0,+) states are compatible with isospin symmetry. C1 [Chen, Y. C.; Hou, S.; Mitra, A.; Teng, P. K.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Auerbach, B.; Nodulman, L.; Wicklund, A. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Giakoumopoulou, V.; Giokaris, N.; Manousakis-Katsikakis, A.] Univ Athens, Athens 15771, Greece. [Camarda, S.; Cavalli-Sforza, M.; Grinstein, S.; Martinez, M.; Ortolan, L.; Sorin, V.] Univ Autonoma Barcelona, ICREA, Inst Fis Altes Energies, E-08193 Barcelona, Spain. [Bland, K. R.; Dittmann, J. R.; Hatakeyama, K.; Kasmi, A.; Wu, Z.] Baylor Univ, Waco, TX 76798 USA. [Brigliadori, L.; Castro, A.; Deninno, M.; Gramellini, E.; Marchese, L.; Mazzanti, P.; Moggi, N.; Mussini, M.; Rimondi, F.; Zucchelli, S.] Ist Nazl Fis Nucl, I-40127 Bologna, Italy. [Brigliadori, L.; Castro, A.; Mussini, M.; Zucchelli, S.] Univ Bologna, I-40127 Bologna, Italy. [Chertok, M.; Conway, J.; Cox, C. A.; Cox, D. J.; Erbacher, R.; Forrest, R.; Ivanov, A.; Pilot, J.; Shalhout, S. Z.; Smith, J. R.; Wilbur, S.] Univ Calif Davis, Davis, CA 95616 USA. [Plager, C.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Casal, B.; Cuevas, J.; Gomez, G.; Palencia, E.; Ruiz, A.; Scodellaro, L.; Vilar, R.; Vizan, J.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Calamba, A.; Jang, D.; Jun, S. Y.; Paulini, M.; Russ, J.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Boveia, A.; Canelli, F.; Frisch, H.; Grosso-Pilcher, C.; Ketchum, W.; Kim, Y. K.; Rosner, J. L.; Shochet, M.; Tang, J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Antos, J.; Bartos, P.; Lysak, R.; Tokar, S.] Comenius Univ, Bratislava 84248, Slovakia. [Antos, J.; Bartos, P.; Lysak, R.; Tokar, S.] Inst Expt Phys, Kosice 04001, Slovakia. [Artikov, A.; Budagov, J.; Chokheli, D.; Glagolev, V.; Prokoshin, F.; Semenov, A.; Simonenko, A.; Suslov, I.] Dubna Joint Nucl Res Inst, RU-141980 Dubna, Russia. [Benjamin, D.; Bocci, A.; Goshaw, A. T.; Kotwal, A. V.; Kruse, M.; Limosani, A.; Oh, S. H.; Phillips, T. J.; Yu, G. B.; Zeng, Y.; Zhou, C.] Duke Univ, Durham, NC 27708 USA. [Anastassov, A.; Apollinari, G.; Appel, J. A.; Ashmanskas, W.; Badgett, W.; Behari, S.; Beretvas, A.; Burkett, K.; Chlachidze, G.; Convery, M. E.; Corbo, M.; Culbertson, R.; d'Ascenzo, N.; Datta, M.; Di Ruzza, B.; Flanagan, G.; Freeman, J. C.; Gerchtein, E.; Ginsburg, C. M.; Glenzinski, D.; Golossanov, A.; Group, R. C.; Hahn, S. R.; Harrington-Taber, T.; Hocker, A.; Hopkins, W.; James, E.; Jayatilaka, B.; Jindariani, S.; Junk, T. R.; Kilminster, B.; Kirby, M.; Knoepfel, K.; Lammel, S.; Lewis, J. D.; Liu, T.; Lukens, P.; Madrak, R.; Mazzacane, A.; Miao, T.; Moed, S.; Moon, C. S.; Moore, R.; Mukherjee, A.; Murat, P.; Nachtman, J.; Papadimitriou, V.; Poprocki, S.; Ristori, L.; Roser, R.; Rusu, V.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, E. E.; Snider, F. D.; Stancari, M.; Stentz, D.; Sukhanov, A.; Thom, J.; Tonelli, D.; Torretta, D.; Velev, G.; Vellidis, C.; Wallny, R.; Wester, W. C., III; Wilson, P.; Wittich, P.; Wolbers, S.; Yang, T.; Yeh, G. P.; Yi, K.; Yoh, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Carrillo, S.; Field, R.; Konigsberg, J.; Vazquez, F.] Univ Florida, Gainesville, FL 32611 USA. [Annovi, A.; Cordelli, M.; Giromini, P.; Happacher, F.; Kim, M. J.; Luca, A.; Ptohos, F.; Torre, S.; Volpi, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Clark, A.; Lister, A.; Wu, X.] Univ Geneva, CH-1211 Geneva, Switzerland. [Bussey, P.; Buzatu, A.; Robson, A.; St Denis, R.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Catastini, P.; Franklin, M.; da Costa, J. Guimaraes] Harvard Univ, Cambridge, MA 02138 USA. [Aaltonen, T.; Brucken, E.; Devoto, F.; Mehtala, P.; Orava, R.] Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. [Aaltonen, T.; Brucken, E.; Devoto, F.; Mehtala, P.; Orava, R.] Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Carls, B.; Cavaliere, V.; Errede, S.; Esham, B.; Gerberich, H.; Matera, K.; Norniella, O.; Pitts, K.] Univ Illinois, Urbana, IL 61801 USA. [Barnett, B. A.; Blumenfeld, B.; Giurgiu, G.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Feindt, M.; Heck, M.; Kambeitz, M.; Kreps, M.; Kuhr, T.; Lueck, J.; Muller, Th.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.] Seoul Natl Univ, Seoul 151742, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Chonnam Natl Univ, Kwangju 500757, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Chonbuk Natl Univ, Jeonju 561756, South Korea. [Bae, T.; Chokheli, D.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Ewha Womans Univ, Seoul 120750, South Korea. [Barbaro-Galtieri, A.; Cerri, A.; Lujan, P.; Lys, J.; Potamianos, K.; Pranko, A.; Yao, W. -M.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [D'Onofrio, M.; Manca, G.; McNulty, R.; Mehta, A.; Shears, T.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Campanelli, M.; Cerrito, L.; Lancaster, M.; Waters, D.] UCL, London WC1E 6BT, England. [Fernandez Ramos, J. P.; Gonzalez Lopez, O.; Redondo Fernandez, I.] Ctr Invest Energet Medioambient & Tec, E-28040 Madrid, Spain. [Gomez-Ceballos, G.; Goncharov, M.; Paus, C.] MIT, Cambridge, MA 02139 USA. [Amidei, D.; Edgar, R.; Mietlicki, D.; Schwarz, T.; Tecchio, M.; Wilson, J. S.; Wright, T.] Univ Michigan, Ann Arbor, MI 48109 USA. [Bromberg, C.; Hussein, M.; Huston, J.; Tollefson, K.] Michigan State Univ, E Lansing, MI 48824 USA. [Shreyber-Tecker, I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Gold, M.; Gorelov, I.; Palni, P.; Seidel, S.; Strologas, J.; Vogel, M.] Univ New Mexico, Albuquerque, NM 87131 USA. [Hughes, R. E.; Lannon, K.; Winer, B. L.; Wolfe, H.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Okayama 7008530, Japan. [Kato, Y.; Okusawa, T.; Seiya, Y.; Yamamoto, K.; Yamato, D.; Yoshida, T.] Osaka City Univ, Osaka 5588585, Japan. [Azfar, F.; Farrington, S.; Hays, C.; Oakes, L.; Renton, P.] Univ Oxford, Oxford OX1 3RH, England. [Amerio, S.; Bauce, M.; Busetto, G.; D'Errico, M.; Lucchesi, D.; Totaro, P.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Amerio, S.; Bauce, M.; Busetto, G.; D'Errico, M.; Lucchesi, D.] Univ Padua, I-35131 Padua, Italy. [Heinrich, J.; Keung, J.; Kroll, J.; Lipeles, E.; Pianori, E.; Rodriguez, T.; Thomson, E.; Wagner, P.; Whiteson, D.; Williams, H. H.] Univ Penn, Philadelphia, PA 19104 USA. [Barria, P.; Bedeschi, F.; Bellettini, G.; Butti, P.; Carosi, R.; Chiarelli, G.; Cremonesi, M.; Di Canto, A.; Donati, S.; Galloni, C.; Garosi, P.; Introzzi, G.; Latino, G.; Leo, S.; Leone, S.; Maestro, P.; Morello, M. J.; Piacentino, G.; Punzi, G.; Ristori, L.; Ronzani, M.; Scuri, F.; Sforza, F.; Trovato, M.; Vernieri, C.] Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Bellettini, G.; Butti, P.; Di Canto, A.; Donati, S.; Galloni, C.; Punzi, G.; Ronzani, M.; Sforza, F.] Univ Pisa, I-56127 Pisa, Italy. [Barria, P.; Garosi, P.; Latino, G.; Maestro, P.; Ruffini, F.] Univ Siena, I-56127 Pisa, Italy. [Marino, P.; Morello, M. J.; Trovato, M.; Vernieri, C.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Introzzi, G.] Ist Nazl Fis Nucl, I-27100 Pavia, Italy. [Introzzi, G.] Univ Pavia, I-27100 Pavia, Italy. [Boudreau, J.; Gibson, K.; Nigmanov, T.; Shepard, P. F.; Song, H.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Barnes, V. E.; Bortoletto, D.; Garfinkel, A. F.; Jones, M.; Laasanen, A. T.; Liu, Q.; Ranjan, N.; Vidal, M.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Budd, H. S.; de Barbaro, P.; Han, J. Y.; Sakumoto, W. K.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10065 USA. [Giagu, S.; Iori, M.; Margaroli, F.; Rescigno, M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Iori, M.] Univ Roma La Sapienza, I-00185 Rome, Italy. [Asaadi, J.; Aurisano, A.; Cruz, D.; Elagin, A.; Goldin, D.; Hong, Z.; Kamon, T.; Nett, J.; Thukral, V.; Toback, D.] Texas A&M Univ, Mitchell Inst Fundamental Phys & Astron, Coll Stn, College Stn, TX 77843 USA. [Casarsa, M.; Cauz, D.; Dorigo, M.; Driutti, A.; Pagliarone, C.; Pauletta, G.; Santi, L.; Zanetti, A. M.] Ist Nazl Fis Nucl Trieste, I-33100 Udine, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Grp Collegato Udine, I-33100 Udine, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Univ Udine, I-33100 Udine, Italy. [Dorigo, M.] Univ Trieste, I-34127 Trieste, Italy. [Hara, K.; Kim, S. H.; Kurata, M.; Miyake, H.; Nagai, Y.; Sato, K.; Shimojima, M.; Sudo, Y.; Takemasa, K.; Takeuchi, Y.; Tomura, T.; Ukegawa, F.] Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. [Hare, M.; Napier, A.; Rolli, S.; Sliwa, K.] Tufts Univ, Medford, MA 02155 USA. [Group, R. C.; Liu, H.; Neu, C.; Oksuzian, I.] Univ Virginia, Charlottesville, VA 22906 USA. [Arisawa, T.; Ebina, K.; Funakoshi, Y.; Kimura, N.; Kondo, K.; Naganoma, J.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo 169, Japan. [Clarke, C.; Harr, R. F.; Karchin, P. E.; Mattson, M. E.] Wayne State Univ, Detroit, MI 48201 USA. [Bellinger, J.; Carlsmith, D.; Herndon, M.; Parker, W.; Pondrom, L.] Univ Wisconsin, Madison, WI 53706 USA. [Husemann, U.; Lockwitz, S.; Loginov, A.] Yale Univ, New Haven, CT 06520 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. RI Cavalli-Sforza, Matteo/H-7102-2015; Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Marino, Pietro/N-7030-2015; song, hao/I-2782-2012; Scodellaro, Luca/K-9091-2014; Punzi, Giovanni/J-4947-2012; Grinstein, Sebastian/N-3988-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Chiarelli, Giorgio/E-8953-2012; Gorelov, Igor/J-9010-2015; maestro, paolo/E-3280-2010; Prokoshin, Fedor/E-2795-2012; Canelli, Florencia/O-9693-2016; Ruiz, Alberto/E-4473-2011; OI Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Marino, Pietro/0000-0003-0554-3066; song, hao/0000-0002-3134-782X; Scodellaro, Luca/0000-0002-4974-8330; Punzi, Giovanni/0000-0002-8346-9052; Grinstein, Sebastian/0000-0002-6460-8694; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; Chiarelli, Giorgio/0000-0001-9851-4816; Gorelov, Igor/0000-0001-5570-0133; maestro, paolo/0000-0002-4193-1288; Prokoshin, Fedor/0000-0001-6389-5399; Canelli, Florencia/0000-0001-6361-2117; Ruiz, Alberto/0000-0002-3639-0368; Simonenko, Alexander/0000-0001-6580-3638; Lancaster, Mark/0000-0002-8872-7292; Casarsa, Massimo/0000-0002-1353-8964; Margaroli, Fabrizio/0000-0002-3869-0153; Latino, Giuseppe/0000-0002-4098-3502; Group, Robert/0000-0002-4097-5254; iori, maurizio/0000-0002-6349-0380; Jun, Soon Yung/0000-0003-3370-6109; Toback, David/0000-0003-3457-4144; Vidal Marono, Miguel/0000-0002-2590-5987; Hays, Chris/0000-0003-2371-9723; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Dorigo, Mirco/0000-0002-0681-6946; Brucken, Jens Erik/0000-0001-6066-8756; Torre, Stefano/0000-0002-7565-0118 FU U.S. Department of Energy; National Science Foundation; Italian Istituto Nazionale di Fisica Nucleare; Ministry of Education, Culture, Sports, Science and Technology of Japan; Natural Sciences and Engineering Research Council of Canada; National Science Council of the Republic of China; Swiss National Science Foundation; A. P. Sloan Foundation; Bundesministerium fur Bildung und Forschung, Germany; Korean World Class University Program; National Research Foundation of Korea; Science and Technology Facilities Council; Royal Society, UK; Russian Foundation for Basic Research; Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio, Spain; Slovak RD Agency; Academy of Finland; Australian Research Council (ARC); EU community Marie Curie Fellowship [302103] FX We thank the Fermilab staff and the technical staffs of the participating institutions for their vital contributions. This work was supported by the U.S. Department of Energy and the National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the Ministry of Education, Culture, Sports, Science and Technology of Japan; the Natural Sciences and Engineering Research Council of Canada; the National Science Council of the Republic of China; the Swiss National Science Foundation; the A. P. Sloan Foundation; the Bundesministerium fur Bildung und Forschung, Germany; the Korean World Class University Program, the National Research Foundation of Korea; the Science and Technology Facilities Council and the Royal Society, UK; the Russian Foundation for Basic Research; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Slovak R&D Agency; the Academy of Finland; the Australian Research Council (ARC); and the EU community Marie Curie Fellowship contract 302103. NR 38 TC 16 Z9 16 U1 1 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 28 PY 2014 VL 90 IS 1 AR 012013 DI 10.1103/PhysRevD.90.012013 PG 14 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM6RA UT WOS:000339991100001 ER PT J AU Marshall, Z Ovrut, BA Purves, A Spinner, S AF Marshall, Zachary Ovrut, Burt A. Purves, Austin Spinner, Sogee TI LSP squark decays at the LHC and the neutrino mass hierarchy SO PHYSICAL REVIEW D LA English DT Article ID R-PARITY BREAKING; PROTON-PROTON COLLISIONS; ROOT-S=7 TEV; HETEROTIC COMPACTIFICATIONS; HEAVY-PARTICLES; GAUGE-SYMMETRY; ATLAS DETECTOR; PP COLLISIONS; DARK-MATTER; SEARCH AB The existence of R-parity in supersymmetric models can be naturally explained as being a discrete subgroup of gauged baryon minus lepton number (B - L). The most minimal supersymmetric B - L model triggers spontaneous R-parity violation, while remaining consistent with proton stability. This model is well motivated by string theory and makes several interesting, testable predictions. Furthermore, R-parity violation contributes to neutrino masses, thereby connecting the neutrino sector to the decay of the lightest supersymmetric particle (LSP). This paper analyzes the decays of third generation squark LSPs into a quark and a lepton. In certain cases, the branching ratios into charged leptons reveal information about the neutrino mass hierarchy, a current goal of experimental neutrino physics, as well as the. 23 neutrino mixing angle. Furthermore, optimization of leptoquark searches for this scenario is discussed. Using currently available data, the lower bounds on the third generation squarks are computed. C1 [Marshall, Zachary] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94704 USA. [Ovrut, Burt A.; Purves, Austin; Spinner, Sogee] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. RP Marshall, Z (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94704 USA. EM zlmarshall@lbl.gov; ovrut@elcapitan.hep.upenn.edu; apurves@sas.upenn.edu; sogee@sas.upenn.edu FU DOE [DE-AC02-76-ER-03071]; NSF [1001296]; Office of High Energy Physics of the U.S. Department of Energy [DE-AC02-05CH11231] FX S. S. is indebted to P. Fileviez Perez for extensive discussions and a long-term collaboration on related topics. S. S. would also like to thank the Max-Planck Institute for Nuclear Physics for hospitality during the early part of this work and T. Schwetz for useful discussion. B. A. O., A. P., and S. S. are supported in part by the DOE under Contract No. DE-AC02-76-ER-03071 and by the NSF under Grant No. 1001296. The work of Z. M. is supported by the Office of High Energy Physics of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 90 TC 7 Z9 7 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 28 PY 2014 VL 90 IS 1 AR 015034 DI 10.1103/PhysRevD.90.015034 PG 28 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM6RA UT WOS:000339991100008 ER PT J AU Martin, SP AF Martin, Stephen P. TI Taming the Goldstone contributions to the effective potential SO PHYSICAL REVIEW D LA English DT Article ID RENORMALIZATION-GROUP EQUATIONS; QUANTUM-FIELD THEORY; SPONTANEOUS SYMMETRY-BREAKING; COLEMAN-WEINBERG MODEL; STANDARD-MODEL; GAUGE DEPENDENCE; ELECTROWEAK VACUUM; HIGGS-BOSON; STABILITY BOUNDS; MASS AB The standard perturbative effective potential suffers from two related problems of principle involving the field-dependent Goldstone boson squared mass, G. First, in general G can be negative, and it actually is negative in the Standard Model; this leads to imaginary contributions to the effective potential that are not associated with a physical instability, and therefore spurious. Second, in the limit that G approaches zero, the effective potential minimization condition is logarithmically divergent already at two-loop order, and has increasingly severe power-law singularities at higher loop orders. I resolve both issues by resumming the Goldstone boson contributions to the effective potential. For the resulting resummed effective potential, the minimum value and the minimization condition that gives the vacuum expectation value are obtained in forms that do not involve G at all. C1 [Martin, Stephen P.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Martin, Stephen P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Martin, SP (reprint author), No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. FU National Science Foundation [PHY-1068369] FX I thank Hiren Patel for discussions. This work was supported in part by the National Science Foundation Grant No. PHY-1068369. NR 63 TC 33 Z9 33 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 28 PY 2014 VL 90 IS 1 AR 016013 DI 10.1103/PhysRevD.90.016013 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM6RA UT WOS:000339991100010 ER PT J AU Feng, Y Goree, J Liu, B Intrator, TP Murillo, MS AF Feng, Yan Goree, J. Liu, Bin Intrator, T. P. Murillo, M. S. TI Superdiffusion of two-dimensional Yukawa liquids due to a perpendicular magnetic field SO PHYSICAL REVIEW E LA English DT Article ID DUSTY PLASMA; COMPLEX PLASMAS; DIFFUSION; DYNAMICS; TRANSPORT; DISCHARGE; MODES AB Stochastic transport of a two-dimensional (2D) dusty plasma liquid with a perpendicular magnetic field is studied. Superdiffusion is found to occur especially at higher magnetic fields with p of order unity. Here, beta = omega(c)/omega(pd), is the ratio of the cyclotron and plasma frequencies for dust particles. The mean-square displacement MSD = 4D(alpha)t(alpha) is found to have an exponent alpha > 1, indicating superdiffusion, with a increasing monotonically to 1.1 as beta increases to unity. The 2D Langevin molecular dynamics simulation used here also reveals that another indicator of random particle motion, the velocity autocorrelation function, has a dominant peak frequency omega(peak) that empirically obeys omega(2)(peak) = omega(2)(c) + omega(2)(pd)/4. C1 [Feng, Yan; Intrator, T. P.; Murillo, M. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Goree, J.; Liu, Bin] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. RP Feng, Y (reprint author), Los Alamos Natl Lab, Mail Stop E526, Los Alamos, NM 87545 USA. EM yanfengui@gmail.com FU LANL Laboratory Directed Research and Development program and Department of Energy [W-7405-ENG-36]; National Science Foundation [1162645] FX We thank M. Bonitz and T. Ott for valuable discussions and providing the data in Fig. 5(11). Work at LANL was supported by the LANL Laboratory Directed Research and Development program and Department of Energy Contract No. W-7405-ENG-36, and work at Iowa was supported by National Science Foundation Grant No. 1162645. NR 68 TC 8 Z9 8 U1 2 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD JUL 28 PY 2014 VL 90 IS 1 AR 013105 DI 10.1103/PhysRevE.90.01.013105 PG 9 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AM6RL UT WOS:000339992200018 PM 25122399 ER PT J AU Doherty, MW Acosta, VM Jarmola, A Barson, MSJ Manson, NB Budker, D Hollenberg, LCL AF Doherty, M. W. Acosta, V. M. Jarmola, A. Barson, M. S. J. Manson, N. B. Budker, D. Hollenberg, L. C. L. TI Temperature shifts of the resonances of the NV- center in diamond SO PHYSICAL REVIEW B LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; ELECTRON-SPIN; THERMOMETRY AB Significant attention has been recently focused on the realization of high precision nanothermometry using the spin-resonance temperature shift of the negatively charged nitrogen-vacancy (NV-) center in diamond. However, the precise physical origins of the temperature shift is yet to be understood. Here, the shifts of the center's optical and spin resonances are observed and a model is developed that identifies the origin of each shift to be a combination of thermal expansion and electron-phonon interactions. Our results provide insight into the center's vibronic properties and reveal implications for NV- thermometry. C1 [Doherty, M. W.; Barson, M. S. J.; Manson, N. B.] Australian Natl Univ, Res Sch Phys & Engn, Laser Phys Ctr, Canberra, ACT 0200, Australia. [Acosta, V. M.; Jarmola, A.; Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Budker, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Hollenberg, L. C. L.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. RP Doherty, MW (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Laser Phys Ctr, GPO Box 4, Canberra, ACT 0200, Australia. EM marcus.doherty@anu.edu.au RI Doherty, Marcus/O-1222-2013; Budker, Dmitry/F-7580-2016 OI Doherty, Marcus/0000-0002-5473-6481; Budker, Dmitry/0000-0002-7356-4814 FU Australian Research Council under the Discovery Project scheme [DP0986635, DP120102232]; NSF [ECCS-1202258]; AFOSR/DARPA QuASAR program, NATO SFP, and IMOD FX This work was supported by the Australian Research Council under the Discovery Project scheme (Grants No. DP0986635 and No. DP120102232), the NSF through Grant No. ECCS-1202258, the AFOSR/DARPA QuASAR program, NATO SFP, and IMOD. M.W.D. wishes to acknowledge the David Hay Memorial Fund. NR 34 TC 14 Z9 14 U1 2 U2 37 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 28 PY 2014 VL 90 IS 4 DI 10.1103/PhysRevB.90.041201 PG 5 WC Physics, Condensed Matter SC Physics GA AM6QU UT WOS:000339990500003 ER PT J AU Kim, H Tanatar, MA Straszheim, WE Cho, K Murphy, J Spyrison, N Reid, JP Shen, B Wen, HH Fernandes, RM Prozorov, R AF Kim, H. Tanatar, M. A. Straszheim, W. E. Cho, K. Murphy, J. Spyrison, N. Reid, J. -Ph. Shen, Bing Wen, Hai-Hu Fernandes, R. M. Prozorov, R. TI Competition between superconductivity and magnetic/nematic order as a source of anisotropic superconducting gap in underdoped Ba1-xKxFe2As2 SO PHYSICAL REVIEW B LA English DT Article ID IRON-BASED SUPERCONDUCTORS; PENETRATION DEPTH AB The in-plane London penetration depth Delta lambda(T) was measured using a tunnel diode resonator technique in single crystals of Ba1-xKxFe2As2 with doping levels x ranging from heavily underdoped, x = 0.16 (T-c = 7 K), to nearly optimally doped, x = 0.34 (T-c = 39 K). Exponential saturation of Delta lambda(T) in the T -> 0 limit is found in optimally doped samples, with the superfluid density rho(s)(T) equivalent to [lambda(0)/lambda(T)](2) quantitatively described by a self-consistent gamma model with two nodeless isotropic superconducting gaps. As the doping level is decreased towards the extreme end of the superconducting dome at x = 0.16, the low-temperature behavior of Delta lambda(T) becomes nonexponential and is best described by the power law Delta lambda(T) proportional to T-2, characteristic of strongly anisotropic gaps. The change between the two regimes happens within the range of coexisting magnetic/nematic order and superconductivity, x < 0.25, and is accompanied by a rapid rise in the absolute value of Delta lambda(T) with underdoping. This effect, characteristic of the competition between superconductivity and other ordered states, is very similar to but of significantly smaller magnitude than what is observed in the electron-doped Ba(Fe1-xCox)(2)As-2 compounds. Our study suggests that the competition between superconductivity and magnetic/nematic order in hole-doped compounds is weaker than in electron-doped compounds, and that the anisotropy of the superconducting state in the underdoped iron pnictides is a consequence of the anisotropic changes in the pairing interaction and in the gap function promoted by both magnetic and nematic long-range orders. C1 [Kim, H.; Tanatar, M. A.; Straszheim, W. E.; Cho, K.; Prozorov, R.] Ames Lab, Ames, IA 50011 USA. [Tanatar, M. A.; Murphy, J.; Spyrison, N.; Prozorov, R.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Reid, J. -Ph.] Univ Sherbrooke, Dept Phys, Sherbrooke, PQ J1K 2R1, Canada. [Reid, J. -Ph.] Univ Sherbrooke, RQMP, Sherbrooke, PQ J1K 2R1, Canada. [Shen, Bing; Wen, Hai-Hu] Nanjing Univ, Natl Lab Solid State Microstruct, Ctr Superconducting Phys & Mat, Nanjing 210093, Jiangsu, Peoples R China. [Shen, Bing; Wen, Hai-Hu] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China. [Fernandes, R. M.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. RP Kim, H (reprint author), Ames Lab, Ames, IA 50011 USA. EM prozorov@ameslab.gov RI Fernandes, Rafael/E-9273-2010 FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; U.S. DOE by Iowa State University [DE-AC02-07CH11358]; Ministry of Science and Technology of China [2011CBA00102]; Canadian Institute for Advanced Research; Canada Research Chair; NSERC; FQRNT; CFI FX We thank A. Chubukov, P. Hirschfeld, S. Maiti, J. Schmalian, and L. Taillefer for useful discussions. The work at Ames was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under contract DE-AC02-07CH11358. Work in China was supported by the Ministry of Science and Technology of China, project 2011CBA00102. Work at Sherbrooke was supported by the Canadian Institute for Advanced Research and a Canada Research Chair, and it was funded by NSERC, FQRNT, and CFI. NR 71 TC 7 Z9 7 U1 1 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 28 PY 2014 VL 90 IS 1 AR 014517 DI 10.1103/PhysRevB.90.014517 PG 7 WC Physics, Condensed Matter SC Physics GA AM6QP UT WOS:000339990000007 ER PT J AU Strehlow, CP Konczykowski, M Murphy, JA Teknowijoyo, S Cho, K Tanatar, MA Kobayashi, T Miyasaka, S Tajima, S Prozorov, R AF Strehlow, C. P. Konczykowski, M. Murphy, J. A. Teknowijoyo, S. Cho, K. Tanatar, M. A. Kobayashi, T. Miyasaka, S. Tajima, S. Prozorov, R. TI Comparative study of the effects of electron irradiation and natural disorder in single crystals of SrFe2(As1-xPx)(2) superconductor (x=0.35) SO PHYSICAL REVIEW B LA English DT Article ID TEMPERATURE PENETRATION DEPTH; SYMMETRY; STATE AB The London penetration depth lambda(T) was measured in single crystals of a SrFe2(As1-x P-x)(2) (x = 0.35) iron-based superconductor. The influence of disorder on the transition temperature T-c and on lambda(T) was investigated. The effects of scattering controlled by the annealing of as-grown crystals was compared with the effects of artificial disorder introduced by 2.5 MeV electron irradiation. The low-temperature behavior of lambda(T) can be described by a power-law function Delta lambda(T) = AT(n), with the exponent n close to one in pristine annealed samples, as expected for a superconducting gap with line nodes. Upon electron irradiation with a dose of 1.2 x 10(19) e/cm(2), the exponent n increases rapidly, exceeding a dirty limit value of n = 2, implying that the nodes in the superconducting gap are accidental and can be lifted by the disorder. The variation of the exponent n with T-c is much stronger in the irradiated crystals compared to the crystals in which disorder was controlled by the annealing of the growth defects. We discuss the results in terms of different influence of different types of disorder on intraband and interband scattering. C1 [Strehlow, C. P.; Murphy, J. A.; Teknowijoyo, S.; Cho, K.; Tanatar, M. A.; Prozorov, R.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Strehlow, C. P.; Murphy, J. A.; Teknowijoyo, S.; Cho, K.; Tanatar, M. A.; Prozorov, R.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Konczykowski, M.] Ecole Polytech, CNRS, Lab Solides Irradies, UMR 7642, F-91128 Palaiseau, France. [Konczykowski, M.] Ecole Polytech, CEA DSM IRAMIS, F-91128 Palaiseau, France. [Kobayashi, T.; Miyasaka, S.; Tajima, S.] Osaka Univ, Grad Sch Sci, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Miyasaka, S.; Tajima, S.] JST, Transformat Res Project Iron Pnictides TRIP, Chiyoda Ku, Tokyo 1020075, Japan. RP Prozorov, R (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM prozorov@ameslab.gov FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; EMIR network [11-11-0121]; Japan Science and Technology Agency (JST) FX The work in Ames was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. Ames Laboratory is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. We thank the SIRIUS team, B. Boizot, V. Metayer, and J. Losco, for running electron irradiation at Ecole Polytechnique (supported by EMIR network, proposal 11-11-0121.) Work at Osaka was partly supported by a Grant-in-Aid IRONSEA from the Japan Science and Technology Agency (JST). NR 38 TC 8 Z9 8 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 28 PY 2014 VL 90 IS 2 AR 020508 DI 10.1103/PhysRevB.90.020508 PG 5 WC Physics, Condensed Matter SC Physics GA AM6QQ UT WOS:000339990100001 ER PT J AU Zhao, X Zhao, ZY Ni, B Wu, JC Zhang, FB Song, JD Li, SJ Sun, XF Li, XG AF Zhao, X. Zhao, Z. Y. Ni, B. Wu, J. C. Zhang, F. B. Song, J. D. Li, S. J. Sun, X. F. Li, X. G. TI Low-temperature heat transport of Nd2-xCexCuO4 single crystals SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC-FIELD DEPENDENCE; QUASI-PARTICLE TRANSPORT; DENSITY-OF-STATES; THERMAL-CONDUCTIVITY; PHASE-TRANSITIONS; SPIN CORRELATIONS; STRIPE CORRELATIONS; VORTEX STATE; ND2CUO4; SUPERCONDUCTORS AB We report a study of the Ce doping effect on the thermal conductivity (kappa) of Nd2-xCexCuO4 (NCCO) at low temperatures down to 0.3 K and in magnetic fields up to 14 T. It is found that with Ce doping, the electronic thermal conductivity increases; at the same time, the a-axis field-induced changes in kappa(H), associated with the spin flop and spin polarization of the Nd3+ sublattice, and the spin flop of the Cu2+ sublattice, gradually disappear. These are clearly due to the electron doping and the destruction of the antiferromagnetic orders. In the superconducting NCCO with x = 0.14 and 0.18, although the electronic thermal conductivity shows sizable field dependencies with H parallel to c, the paramagnetic scattering of phonons is still playing the dominant role in the heat transport, which is different from many other cuprates. In the lightly doped samples (x = 0.03 and 0.06), the low-T kappa(H) isotherms with H parallel to c show a steplike anomaly and are likely related to the spin/charge stripes. C1 [Zhao, X.] Univ Sci & Technol China, Sch Phys Sci, Hefei 230026, Anhui, Peoples R China. [Zhao, Z. Y.; Ni, B.; Wu, J. C.; Zhang, F. B.; Song, J. D.; Li, S. J.; Sun, X. F.; Li, X. G.] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Zhao, Z. Y.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Zhao, Z. Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Li, X. G.] Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China. RP Zhao, X (reprint author), Univ Sci & Technol China, Sch Phys Sci, Hefei 230026, Anhui, Peoples R China. EM xiazhao@ustc.edu.cn; zzhao20@utk.edu; xfsun@ustc.edu.cn RI Li, Xiao-Guang/J-9469-2014 FU National Natural Science Foundation of China; National Basic Research Program of China [2011CBA00111, 2012CB922003]; Fundamental Research Funds for the Central Universities [WK2340000035, WK2030220014] FX This work was supported by the National Natural Science Foundation of China, the National Basic Research Program of China (Grants No. 2011CBA00111 and No. 2012CB922003), and the Fundamental Research Funds for the Central Universities (Programs No. WK2340000035 and No. WK2030220014). NR 82 TC 3 Z9 3 U1 12 U2 56 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 28 PY 2014 VL 90 IS 2 AR 024518 DI 10.1103/PhysRevB.90.024518 PG 9 WC Physics, Condensed Matter SC Physics GA AM6QQ UT WOS:000339990100007 ER PT J AU Lica, R Marginean, N Ghita, DG Mach, H Fraile, M Simpson, GS Aprahamian, A Bernards, C Briz, JA Bucher, B Chiara, CJ Dlouhy, Z Gheorghe, I Hoff, P Jolie, J Koster, U Kurcewicz, W Marginean, R Olaizola, B Paziy, V Regis, JM Rudigier, M Sava, T Stanoiu, M Stroe, L Walters, WB AF Lica, R. Marginean, N. Ghita, D. G. Mach, H. Fraile, M. Simpson, G. S. Aprahamian, A. Bernards, C. Briz, J. A. Bucher, B. Chiara, C. J. Dlouhy, Z. Gheorghe, I. Hoff, P. Jolie, J. Koester, U. Kurcewicz, W. Marginean, R. Olaizola, B. Paziy, V. Regis, J. M. Rudigier, M. Sava, T. Stanoiu, M. Stroe, L. Walters, W. B. TI Low-lying isomeric states in Ga-80 from the beta(-) decay of Zn-80 SO PHYSICAL REVIEW C LA English DT Article ID PICOSECOND LIFETIME MEASUREMENTS; NEUTRON-RICH NUCLEI; ISOTOPES; ZN AB A new level scheme of Ga-80 has been determined. This nucleus was populated following the beta(-) decay of Zn-80 at ISOLDE, CERN. The proposed level scheme is significantly different compared to the previously reported one and contains 26 levels up to 3.4 MeV in excitation energy. The present study establishes that the previously identified 1.9-s beta(-)-decaying 6(-) isomer is the ground state of 80Ga and the 1.3-s beta(-)-decaying 3(-) isomer lies at an excitation energy of 22.4 keV. A new isomeric level was identified at 707.8 keV and its half-life was measured to be 18.3(5) ns, allowing the 685.4-keV transition de-exciting this state to be assigned an M2 multipolarity. The newly measured spectroscopic observables are compared with shell-model calculations using the jj44bpn and JUN45 interactions. C1 [Lica, R.; Marginean, N.; Ghita, D. G.; Gheorghe, I.; Marginean, R.; Sava, T.; Stanoiu, M.; Stroe, L.] Horia Hulubei Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Mach, H.; Fraile, M.; Olaizola, B.; Paziy, V.] Univ Complutense, Fac CC Fis, Grp Fis Nucl, CEI Moncloa, E-28040 Madrid, Spain. [Mach, H.] Natl Ctr Nucl Res, PL-00681 Warsaw, Poland. [Simpson, G. S.] Univ Grenoble 1, LPSC, CNRS, IN2P3,Inst Natl Polytech Grenoble, F-38026 St Martin Dheres, France. [Simpson, G. S.] Univ West Scotland, Sch Engn, Paisley PA1 2BE, Renfrew, Scotland. [Simpson, G. S.] Univ Glasgow, Scottish Univ Phys Alliance, Glasgow G12 8QQ, Lanark, Scotland. [Aprahamian, A.; Bucher, B.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Bernards, C.; Jolie, J.; Regis, J. M.; Rudigier, M.] Univ Cologne, Inst Kernphys, Cologne, Germany. [Bernards, C.] Yale Univ, AW Wright Nucl Struct Lab, New Haven, CT 06511 USA. [Briz, J. A.] CSIC, Inst Estruct Mat, E-28006 Madrid, Spain. [Chiara, C. J.; Walters, W. B.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. [Chiara, C. J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Dlouhy, Z.] Acad Sci Czech Republic, Inst Nucl Phys, CZ-25068 Rez, Czech Republic. [Hoff, P.] Univ Oslo, Dept Chem, Oslo, Norway. [Koester, U.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Kurcewicz, W.] Univ Warsaw, Inst Expt Phys, Warsaw, Poland. RP Lica, R (reprint author), Horia Hulubei Natl Inst Phys & Nucl Engn, Bucharest, Romania. RI Gheorghe, Adriana - Ioana/K-3220-2012; Bernards, Christian/C-4879-2013; Ghita, Dan Gabriel/C-4509-2011; Marginean, Nicolae Marius/C-4732-2011; Stroe, Lucian/A-3290-2009 OI Bernards, Christian/0000-0001-5346-1415; Ghita, Dan Gabriel/0000-0001-8595-3078; Stroe, Lucian/0000-0002-9306-3937 FU Spanish Ministry of Science and Innovation [FPA2010-17142, CSD-2007-00042]; Romanian ANCS/IFA [6 ISOLDE]; German BMBF [05P12PKFNE]; U.S. Department of Energy, Office of Nuclear Physics [DE-FG02-94ER40834]; NuPNET network FATIMA-NuPNET [PRI-PIMNUP-2011-1338]; European Union Seventh Framework through ENSAR [262010]; ISOLDE Collaboration; ISOLDE physics and technical groups FX This work was partially supported by the Spanish Ministry of Science and Innovation through Projects No. FPA2010-17142 and No. CSD-2007-00042 (CPAN Consolider, Ingenio2010), by the Romanian ANCS/IFA Grant No. 6 ISOLDE, by the German BMBF under Grant No. 05P12PKFNE, and by the U.S. Department of Energy, Office of Nuclear Physics, under Grant No. DE-FG02-94ER40834. It was also partly funded by the NuPNET network FATIMA-NuPNET (PRI-PIMNUP-2011-1338) and by the European Union Seventh Framework through ENSAR (Contract No. 262010). We kindly acknowledge support from the ISOLDE Collaboration and the ISOLDE physics and technical groups. The fasttiming electronics was provided by the Fast Timing Pool of Electronics and MASTICON. NR 20 TC 1 Z9 1 U1 2 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 28 PY 2014 VL 90 IS 1 AR 014320 DI 10.1103/PhysRevC.90.014320 PG 7 WC Physics, Nuclear SC Physics GA AM6QW UT WOS:000339990700002 ER PT J AU Upadhyay, NJ Eremenko, V Hlophe, L Nunes, FM Elster, C Arbanas, G Escher, JE Thompson, IJ AF Upadhyay, N. J. Eremenko, V. Hlophe, L. Nunes, F. M. Elster, Ch. Arbanas, G. Escher, J. E. Thompson, I. J. CA TORUS Collaboration TI Coulomb problem in momentum space without screening SO PHYSICAL REVIEW C LA English DT Article ID SCATTERING; MODEL AB Background: The repulsive Coulomb force poses severe challenges when solving the three-body problem for (d, p) reactions on intermediate mass and heavy nuclei. Recently, a new approach based on the Coulomb-distorted basis in momentum space was proposed. Purpose: In this work, we demonstrate the feasibility of using the Coulomb-distorted basis in momentum space for calculating matrix elements expected in a wide range of nuclear reactions. Method: We discuss the analytic forms of the Coulomb wave function in momentum space. We analyze the singularities in the Coulomb-distorted form factors and the required regularization techniques. Employing a separable interaction derived from a realistic nucleon-nucleus optical potential, we compute and study the Coulomb-distorted form factors for a wide range of cases, including charge, angular momentum, and energy dependence. We also investigate in detail the precision of our calculations. Results: The Coulomb-distorted form factors differ significantly from the nuclear form factors except for the very highest momenta. Typically, the structure of the form factor is shifted away from zero momentum due to the Coulomb interaction. Unlike the Yamaguchi forms typically used in three-body methods, our realistic form factors have a short high-momentum tail, which allows for a safe and efficient truncation of the momentum grid. Conclusions: Our results show that the Coulomb-distorted basis can be effectively implemented. C1 [Upadhyay, N. J.; Nunes, F. M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Upadhyay, N. J.; Nunes, F. M.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Eremenko, V.; Hlophe, L.; Elster, Ch.] Ohio Univ, Inst Nucl & Particle Phys, Athens, OH 45701 USA. [Eremenko, V.; Hlophe, L.; Elster, Ch.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Arbanas, G.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. [Escher, J. E.; Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Eremenko, V.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia. RP Upadhyay, NJ (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. EM neelam@phys.lsu.edu; eremenko@ohio.edu; nunes@nscl.msu.edu; elster@ohio.edu RI Elster, Charlotte/N-9845-2015 FU US Department of Energy [DE-SC0004084, DE-SC0004087]; Michigan State University [DE-FG52-08NA28552]; Ohio University [DE-FG02-93ER40756]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.T. Battelle LLC [DE-AC0500OR22725]; National Science Foundation [PHY-0800026]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX The TORUS Collaboration acknowledges the inspiration and insight of Prof. Akram Mukhamedzhanov with respect to this project. Upadhyay and Eremenko are grateful to Prof. Akram Mukhamedzhanov and Dr. Ahdior Sattarov for providing invaluable guidance in the early stages of this work. Hlophe thanks Prof. Steve Weppner for his support in developing a separable representation of the optical potential for 12C. The authors are also grateful to Prof. Ron Johnson and Prof. Jeff Tostevin for many useful discussions. This work was performed in part under the auspices of the US Department of Energy under the topical collaborations in nuclear theory program No. DE-SC0004084 and No. DE-SC0004087 (TORUS Collaboration), under Contracts No. DE-FG52-08NA28552 with Michigan State University and No. DE-FG02-93ER40756 with Ohio University, by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and U.T. Battelle LLC Contract No. DE-AC0500OR22725. F.M. Nunes also acknowledges support from the National Science Foundation under Grant No. PHY-0800026. This research used resources from the Michigan State University High Performance Computing Center and the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 34 TC 5 Z9 5 U1 2 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 28 PY 2014 VL 90 IS 1 AR 014615 DI 10.1103/PhysRevC.90.014615 PG 11 WC Physics, Nuclear SC Physics GA AM6QW UT WOS:000339990700005 ER PT J AU Sayed, HK Berg, JS AF Sayed, Hisham Kamal Berg, J. Scott TI Optimized capture section for a muon accelerator front end SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB In a muon accelerator complex, a target is bombarded by a multi-MW proton beam to produce pions, which decay into the muons which are thereafter bunched, cooled, and accelerated. The front end of the complex captures those pions, then manipulates their phase space, and that of the muons into which they decay, to maximize the number of muons within the acceptance of the downstream systems. The secondary pion beam produced at the target is captured by a high field target solenoid that tapers down to a constant field throughout the rest of the front end. In this study we enhance the useful muon flux by introducing a new design of the longitudinal profile of the solenoid field at, and downstream of, the target. We find that the useful muon flux exiting the front end is larger when the field at the target is higher, the distance over which the field tapers down is shorter, and the field at the end of the taper is higher. We describe how the solenoid field profile impacts the transverse and longitudinal phase space of the beam and thereby leads to these dependencies. C1 [Sayed, Hisham Kamal; Berg, J. Scott] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Sayed, HK (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hsayed@bnl.gov RI Kamal Sayed, Hisham/C-8602-2015 OI Kamal Sayed, Hisham/0000-0002-6178-8394 FU Office of High Energy Physics of the U.S. Department of Energy [DE-AC02-98CH10886] FX We would like to thank H. Kirk, K. McDonald, R. Palmer, R. Ryne, D. Stratakis, and J. Qiang for useful discussions on the topics covered in this paper. S. Reyes of CERN helped us greatly by retrieving some important historical papers from the CERN archives scanning into the CERN Document Server. This effort was supported by the Office of High Energy Physics of the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. NR 32 TC 4 Z9 4 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD JUL 28 PY 2014 VL 17 IS 7 AR 070102 DI 10.1103/PhysRevSTAB.17.070102 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AM6RS UT WOS:000339993000001 ER PT J AU Hao, ZY Avci, U Tan, L Zhu, X Glushka, J Pattathil, S Eberhard, SF Sholes, T Rothstein, GE Lukowitz, WL Orlando, R Hahn, MG Mohnen, D AF Hao, Zhangying Avci, Utku Tan, Li Zhu, Xiang Glushka, John Pattathil, Sivakumar Eberhard, Steafan Sholes, Tipton Rothstein, Grace E. Lukowitz, Wolfgang Orlando, Ron Hahn, Michael G. Mohnen, Debra TI Loss of Arabidopsis GAUT12/IRX8 causes anther indehiscence and leads to reduced G lignin associated with altered matrix polysaccharide deposition SO FRONTIERS IN PLANT SCIENCE LA English DT Article DE secondary cell walls; xylan; lignin; pectin; wall glycan epitopes; anther dehiscence ID BIOSYNTHETIC HOMOGALACTURONAN GALACTURONOSYLTRANSFERASE; CELL-WALL; CELLULOSE SYNTHESIS; GLUCURONOXYLAN BIOSYNTHESIS; MONOCLONAL-ANTIBODIES; XYLAN BIOSYNTHESIS; GENE-EXPRESSION; THALIANA; POLLEN; LIGNIFICATION AB GAlactUronosylTransferase12 (GAUT12)/IRregular Xylem8 (IRX8) is a putative glycosyltransferase involved in Arabidopsis secondary cell wall biosynthesis. Previous work showed that Arabidopsis irregular xylem8 (irx8) mutants have collapsed xylem due to a reduction in xylan and a lesser reduction in a subtraction of homogalacturonan (HG). We now show that male sterility in the irx8 mutant is due to indehiscent anthers caused by reduced deposition of xylan and lignin in the endothecium cell layer. The reduced lignin content was demonstrated by histochemical lignin staining and pyrolysis Molecular Beam Mass Spectrometry (pyMBMS) and is associated with reduced lignin biosynthesis in irx8 stems. Examination of sequential chemical extracts of stem walls using 2D C-13-H-1 Heteronuclear Single-Quantum Correlation (HSQC) NMR spectroscopy and antibody-based glycome profiling revealed a reduction in G lignin in the 1 M KOH extract and a concomitant loss of xylan, arabinogalactan and pectin epitopes in the ammonium oxalate, sodium carbonate, and 1 M KOH extracts from the irx8 walls compared with wild-type walls. lmmunolabeling of stem sections using the monoclonal antibody CCRC-M138 reactive against an unsubstituted xylopentaose epitope revealed a bi-lamellate pattern in wild-type fiber cells and a collapsed bi-layer in irx8 cells, suggesting that at least in fiber cells, GAUT12 participates in the synthesis of a specific layer or type of xylan or helps to provide an architecture framework required for the native xylan deposition pattern. The results support the hypothesis that GAUT12 functions in the synthesis of a structure required for xylan and lignin deposition during secondary cell wall formation. C1 [Hao, Zhangying; Lukowitz, Wolfgang; Hahn, Michael G.] Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. [Hao, Zhangying; Avci, Utku; Tan, Li; Zhu, Xiang; Glushka, John; Pattathil, Sivakumar; Eberhard, Steafan; Sholes, Tipton; Rothstein, Grace E.; Orlando, Ron; Hahn, Michael G.; Mohnen, Debra] Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA. [Hao, Zhangying; Avci, Utku; Tan, Li; Pattathil, Sivakumar; Hahn, Michael G.; Mohnen, Debra] Oak Ridge Natl Lab, BioEnergy Sci Ctr BESC, Oak Ridge, TN USA. [Zhu, Xiang; Orlando, Ron] Univ Georgia, Dept Chem, Athens, GA 30602 USA. [Rothstein, Grace E.] Lawrence Univ, Dept Biol, Appleton, WI 54912 USA. [Mohnen, Debra] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. RP Mohnen, D (reprint author), Univ Georgia, Dept Biochem & Mol Biol, Complex Carbohydrate Res Ctr, 315 Riverbend Rd, Athens, GA 30602 USA. EM dmohnen@ccrc.uga.edu OI Hahn, Michael/0000-0003-2136-5191 FU Department of Energy Center [DOE DE-FG02-09ER20097]; BioEnergy Science Center [DE-AC05-00OR22725]; Office of Biological and Environmental Research in the Department of Energy Office of Science; National Science Foundation Plant Genome Program [DBI-0421683, IOS-0923992] FX We thank Maor Bar-Peled for the 35tlegfps2#4 plasmid as the base for the GAUT12-EGFP (GAUT12) constructs. This research was supported by the Department of Energy Center Grant DOE DE-FG02-09ER20097 and BioEnergy Science Center Grant DE-AC05-00OR22725. The BioEnergy Science Center is a US Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the Department of Energy Office of Science. The generation of the CCRC series of glycan-directed monoclonal antibodies used in this work was supported by the National Science Foundation Plant Genome Program (Awards DBI-0421683 and IOS-0923992 to Michael G. Hahn). NR 74 TC 6 Z9 6 U1 3 U2 40 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-462X J9 FRONT PLANT SCI JI Front. Plant Sci. PD JUL 28 PY 2014 VL 5 AR 357 DI 10.3389/fpls.2014.00357 PG 21 WC Plant Sciences SC Plant Sciences GA AM0CF UT WOS:000339509700001 PM 25120548 ER PT J AU Xia, LL Robock, A Cole, J Curry, CL Ji, DY Jones, A Kravitz, B Moore, JC Muri, H Niemeier, U Singh, B Tilmes, S Watanabe, S Yoon, JH AF Xia, Lili Robock, Alan Cole, Jason Curry, Charles L. Ji, Duoying Jones, Andy Kravitz, Ben Moore, John C. Muri, Helene Niemeier, Ulrike Singh, Balwinder Tilmes, Simone Watanabe, Shingo Yoon, Jin-Ho TI Solar radiation management impacts on agriculture in China: A case study in the Geoengineering Model Intercomparison Project (GeoMIP) SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID LAND-SURFACE SCHEME; ATMOSPHERIC CARBON-DIOXIDE; EARTH SYSTEM MODEL; CLIMATE-CHANGE; VEGETATION MODEL; ELEVATED CO2; GISS MODELE; CROP; RICE; FOOD AB Geoengineering via solar radiation management could affect agricultural productivity due to changes in temperature, precipitation, and solar radiation. To study rice and maize production changes in China, we used results from 10 climate models participating in the Geoengineering Model Intercomparison Project (GeoMIP) G2 scenario to force the Decision Support System for Agrotechnology Transfer (DSSAT) crop model. G2 prescribes an insolation reduction to balance a 1% a(-1) increase in CO2 concentration (1pctCO2) for 50 years. We first evaluated the DSSAT model using 30 years (1978-2007) of daily observed weather records and agriculture practices for 25 major agriculture provinces in China and compared the results to observations of yield. We then created three sets of climate forcing for 42 locations in China for DSSAT from each climate model experiment: (1) 1pctCO2, (2) G2, and (3) G2 with constant CO2 concentration (409 ppm) and compared the resulting agricultural responses. In the DSSAT simulations: (1) Without changing management practices, the combined effect of simulated climate changes due to geoengineering and CO2 fertilization during the last 15 years of solar reduction would change rice production in China by 3.0 +/- 4.0 megaton (Mt) (2.4 +/- 4.0%) as compared with 1pctCO2 and increase Chinese maize production by 18.1 +/- 6.0 Mt (13.9 +/- 5.9%). (2) The termination of geoengineering shows negligible impacts on rice production but a 19.6 Mt (11.9%) reduction of maize production as compared to the last 15 years of geoengineering. (3) The CO2 fertilization effect compensates for the deleterious impacts of changes in temperature, precipitation, and solar radiation due to geoengineering on rice production, increasing rice production by 8.6 Mt. The elevated CO2 concentration enhances maize production in G2, contributing 7.7 Mt (42.4%) to the total increase. Using the DSSAT crop model, virtually all of the climate models agree on the sign of the responses, even though the spread across models is large. This suggests that solar radiation management would have little impact on rice production in China but could increase maize production. C1 [Xia, Lili; Robock, Alan] Rutgers State Univ, Dept Environm Sci, New Brunswick, NJ 08903 USA. [Cole, Jason] Environm Canada, Canadian Ctr Climate Modeling & Anal, Toronto, ON, Canada. [Curry, Charles L.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC, Canada. [Ji, Duoying; Moore, John C.] Beijing Normal Univ, Coll Global Change & Earth Sci, State Key Lab Earth Surface Processes & Resource, Beijing 100875, Peoples R China. [Jones, Andy] Met Off Hadley Ctr, Exeter, Devon, England. [Kravitz, Ben; Singh, Balwinder; Yoon, Jin-Ho] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Muri, Helene] Univ Oslo, Dept Geosci Meteorol & Oceanog, Oslo, Norway. [Niemeier, Ulrike] Max Planck Inst Meteorol, D-20146 Hamburg, Germany. [Tilmes, Simone] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. [Watanabe, Shingo] Japan Agcy Marine Earth Sci & Technol, Yokohama, Kanagawa, Japan. RP Xia, LL (reprint author), Rutgers State Univ, Dept Environm Sci, New Brunswick, NJ 08903 USA. EM lxia@envsci.rutgers.edu RI YOON, JIN-HO/A-1672-2009; Moore, John/B-2868-2013; Kravitz, Ben/P-7925-2014; Muri, Helene/D-4845-2015; Robock, Alan/B-6385-2016; Watanabe, Shingo/L-9689-2014; OI YOON, JIN-HO/0000-0002-4939-8078; Moore, John/0000-0001-8271-5787; Kravitz, Ben/0000-0001-6318-1150; Muri, Helene/0000-0003-4738-493X; Watanabe, Shingo/0000-0002-2228-0088; Cole, Jason/0000-0003-0450-2748 FU NSF [AGS-1157525, GEO-1240507]; Joint DECC/Defra Met Office Hadley Centre Climate Programme [GA01101]; IAGP program; SOUSEI program, MEXT, Japan; European Commission [FP7-ENV-2008-1-226567]; EU [306395]; Fund for Innovative Climate and Energy Research; U.S. Department of Energy [DE-AC05-76RL01830]; NASA High-End Computing Program through the NASA Center for Climate Simulation at Goddard Space Flight Center; NSF FX We thank the reviewers, particularly Julia Pongratz, for valuable suggestions that helped improve the paper. We thank all participants of the Geoengineering Model Intercomparison Project and their model development teams, the CLIVAR/WCRP Working Group on Coupled Modeling for endorsing GeoMIP, and the scientists managing the Earth System Grid data nodes who have assisted with making GeoMIP output available. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups for producing and making available their model output. For CMIP, the U. S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. Lili Xia and Alan Robock are supported by NSF grants AGS-1157525 and GEO-1240507. Andy Jones was supported by the Joint DECC/Defra Met Office Hadley Centre Climate Programme (GA01101), the IAGP program (http://www.iagp.ac.uk), and the SPICE program (http://www2.eng.cam.ac.uk/similar to hemh/climate/Geoengineering_RoySoc.htm). Shingo Watanabe was supported by SOUSEI program, MEXT, Japan, and his simulations were performed using the Earth Simulator. Ulrike Niemeier received funding from the European Commission's Seventh Framework Programme through the IMPLICC project (FP7-ENV-2008-1-226567). Helen Muri is supported by EU Seventh Framework Programme grant 306395 (EuTRACE). Ben Kravitz is supported by the Fund for Innovative Climate and Energy Research. The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle Memorial Institute under contract DE-AC05-76RL01830. Simulations performed by Ben Kravitz were supported by the NASA High-End Computing Program through the NASA Center for Climate Simulation at Goddard Space Flight Center. Simone Tilmes is supported by NSF. NR 63 TC 15 Z9 16 U1 4 U2 29 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 27 PY 2014 VL 119 IS 14 BP 8695 EP 8711 DI 10.1002/2013JD020630 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AN2GQ UT WOS:000340402800011 ER PT J AU Wang, JL Kotamarthi, VR AF Wang, Jiali Kotamarthi, Veerabhadra R. TI Downscaling with a nested regional climate model in near-surface fields over the contiguous United States SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID NORTH-AMERICA; CONVECTIVE PARAMETERIZATION; COMPLEX TERRAIN; SYSTEM RAMS; PART I; PRECIPITATION; SIMULATIONS; REANALYSIS; TEMPERATURE; SENSITIVITY AB The Weather Research and Forecasting (WRF) model is used for dynamic downscaling of 2.5-degree National Centers for Environmental Prediction-U. S. Department of Energy Reanalysis II (NCEP-R2) data for 1980-2010 at 12 km resolution over most of North America. The model's performance for surface air temperature and precipitation is evaluated by comparison with high-resolution observational data sets. The model's ability to add value is investigated by comparison with NCEP-R2 data and a 50 km regional climate simulation. The causes for major model bias are studied through additional sensitivity experiments with various model setup/integration approaches and physics representations. The WRF captures the main features of the spatial patterns and annual cycles of air temperature and precipitation over most of the contiguous United States. However, simulated air temperatures over the south central region and precipitation over the Great Plains and the Southwest have significant biases. Allowing longer spin-up time, reducing the nudging strength, or replacing the WRF Single-Moment six-class microphysics with Morrison microphysics reduces the bias over some subregions. However, replacing the Grell-Devenyi cumulus parameterization with Kain-Fritsch shows no improvement. The 12 km simulation does add value above the NCEP-R2 data and the 50 km simulation over mountainous and coastal zones. C1 [Wang, Jiali; Kotamarthi, Veerabhadra R.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP Kotamarthi, VR (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vrkotamarthi@anl.gov FU Strategic Environmental Research and Development Program [RC-2242]; U.S. Department of Energy (DOE) [DE-AC02-06CH11357] FX We thank all anonymous reviewers and Dr. Virendra P. Ghate at Argonne for their constructive comments and insights. This work is supported under a military interdepartmental purchase request from the Strategic Environmental Research and Development Program, RC-2242, through U.S. Department of Energy (DOE) contract DE-AC02-06CH11357. We acknowledge the PRISM group (http://www.prism.oregonstate.edu/), the NARCCAP group (http://www.narccap.ucar.edu/about/index.html), and the NOAA/OAR/ESRL PSD (ftp.cdc.noaa.gov/Datasets/NARR/monolevel/) for providing the observed monthly data sets, the RCM outputs, and the NARR 3 h precipitation data, respectively. The computational resources are provided by the DOE-supported Argonne Leadership Computing Facility and the National Energy Research Scientific Computing Center. NR 71 TC 7 Z9 7 U1 2 U2 18 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 27 PY 2014 VL 119 IS 14 BP 8778 EP 8797 DI 10.1002/2014JD021696 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AN2GQ UT WOS:000340402800016 ER PT J AU Xie, Y Liu, YG Long, CN Min, QL AF Xie, Yu Liu, Yangang Long, Charles N. Min, Qilong TI Retrievals of cloud fraction and cloud albedo from surface-based shortwave radiation measurements: A comparison of 16 year measurements SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID SOUTHERN GREAT-PLAINS; MIDLATITUDE CONTINENTAL CLOUDS; GENERAL-CIRCULATION MODEL; SGP CENTRAL FACILITY; OPTICAL DEPTH; SKY COVER; CLIMATOLOGY; RADIOMETER; SATELLITE; RADAR AB Ground-based radiation measurements have been widely conducted to gain information on clouds and the surface radiation budget. To examine the existing techniques of cloud property retrieval and explore the underlying reasons for uncertainties, a newly developed approach that allows for simultaneous retrievals of cloud fraction and cloud albedo from ground-based shortwave broadband radiation measurements, XL2013, is used to derive cloud fraction and cloud albedo from ground-based shortwave broadband radiation measurements at the Department of Energy Atmospheric Radiation Measurement Southern Great Plains site. The new results are compared with the separate retrieval of cloud fraction and cloud albedo using Long2006 and Liu2011, respectively. The retrievals from the broadband radiation measurements are further compared with those based on shortwave spectral measurements (Min2008). The comparison shows overall good agreement between the retrievals of both cloud fraction and cloud albedo, with noted differences, however. The Long2006 and Min2008 cloud fractions are greater on average than the XL2013 values. Compared to Min2008 and Liu2011, the XL2013 cloud albedo tends to be greater for thin clouds but smaller for thick clouds, with the differences decreasing with increasing cloud fraction; the neglect of land surface albedo and cloud absorption by Liu2011 also contributes the difference in cloud albedo. Further analysis reveals that the approaches that retrieve cloud fraction and cloud albedo separately may suffer from mutual contamination of errors in retrieved cloud fraction and cloud albedo. C1 [Xie, Yu; Liu, Yangang] Brookhaven Natl Lab, Upton, NY 11973 USA. [Xie, Yu] Natl Renewable Energy Lab, Golden, CO USA. [Long, Charles N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Min, Qilong] SUNY Albany, Atmospher Sci Res Ctr, Albany, NY 12222 USA. RP Xie, Y (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM Yu.Xie@nrel.gov RI Liu, Yangang/H-6154-2011 FU U.S. Department of Energy's Earth Systems Modeling (ESM) program via the FASTER project; Office of Biological and Environmental Research; Atmospheric Systems Research (ASR) Program FX This work is supported by the U.S. Department of Energy's Earth Systems Modeling (ESM) program via the FASTER project (www.bnl.gov/faster), Office of Biological and Environmental Research, and the Atmospheric Systems Research (ASR) Program. The work uses data from the Atmospheric Radiation Measurement (ARM) Climate Research Facility (http://www.arm.gov/data/vaps/swfluxanal). NR 39 TC 3 Z9 3 U1 0 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 27 PY 2014 VL 119 IS 14 BP 8925 EP 8940 DI 10.1002/2014JD021705 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AN2GQ UT WOS:000340402800024 ER PT J AU Anand, VK Johnston, DC AF Anand, V. K. Johnston, D. C. TI Physical properties of EuPd2As2 single crystals SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE antiferromagnetism; superzone gap; pnictides ID RARE-EARTH METALS; MAGNETIC-STRUCTURE; SUPERCONDUCTIVITY; TRANSITION; DIFFRACTION; PNICTIDES; EUCO2P2 AB The physical properties of self-flux grown EuPd2As2 single crystals have been investigated by means of magnetization M, magnetic susceptibility chi, specific heat C-p, and electrical resistivity rho measurements versus temperature T and magnetic field H. The crystal structure was determined using powder x-ray diffraction measurements, which confirmed the ThCr2Si2-type body-centered tetragonal structure (space group I4/mmm) reported previously. The rho(T) data indicate that EuPd2As2 is metallic. The chi(T) data indicate that the Eu+2 moments have spin S = 7/2 with g = 2. Long-range antiferromagnetic (AFM) ordering is apparent from the chi(T), C-p(T), and rho(T) measurements. For H parallel to c the chi(T) indicates two transitions at T-N1 = 11.0 K and T-N2 = 5.5 K, whereas for H perpendicular to c only one transition is observed at T-N1 = 11.0 K. Between T-N1 and T-N2 the anisotropic chi(T) data suggest a planar noncollinear AFM structure, whereas at T < T-N2 the chi(T) and M(H, T) data suggest a spin reorientation transition in which equal numbers of spins cant in opposite directions out of the ab plane. We estimate the critical field at 2 K at which all Eu moments become aligned with the field to be about 22 T. An upturn in rho at T < T-N1 suggests superzone energy gap formation below T-N1. This behavior of rho(T < T-N1) is not sensitive to applied magnetic fields up to H = 12 T. C1 [Anand, V. K.; Johnston, D. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Anand, V. K.; Johnston, D. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Anand, V. K.] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany. RP Anand, VK (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM vivekkranand@gmail.com; johnston@ameslab.gov RI Anand, Vivek Kumar/J-3381-2013 OI Anand, Vivek Kumar/0000-0003-2023-7040 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; Iowa State University [DE-AC02-07CH11358] FX The research at Ames Laboratory was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 50 TC 4 Z9 4 U1 5 U2 40 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUL 26 PY 2014 VL 26 IS 28 AR 286002 DI 10.1088/0953-8984/26/28/286002 PG 10 WC Physics, Condensed Matter SC Physics GA AL0PZ UT WOS:000338830300021 PM 24945748 ER PT J AU Jiang, J Cao, DP Jiang, DE Wu, JZ AF Jiang, Jian Cao, Dapeng Jiang, De-en Wu, Jianzhong TI Time-dependent density functional theory for ion diffusion in electrochemical systems SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE time-dependent density functional theory; Poisson-Nernst-Planck equations; electric double layers; electro-osmotic flows; ion transport ID MESOPOROUS MATERIALS; TRANSPORT; NANOFLUIDICS; CAPACITANCE; NANOPORES; CHANNELS; WATER AB We introduce a generic form of time-dependent density functional theory (TDDFT) to describe ion diffusion in electrochemical systems to account for steric effects and electrostatic correlations neglected in the Poisson-Nernst-Planck equations. An efficient numerical algorithm is proposed to analyze the charging kinetics of electric double layers in model electrochemical systems that consist of spherical ions in a dielectric continuum confined between two planar electrodes. By comparing the theoretical predictions from TDDFT and conventional electrokinetic methods for constant-voltage charging of the model electrochemical cells, we demonstrate that thermodynamic non-ideality plays a pivotal role in electrodiffusion even at relatively low electrolyte concentrations, and this effect cannot be captured by the lattice-gas model for the excluded volume effects. In particular, TDDFT predicts 'wave-like' variation of the ionic density profiles that has not been identified in previous investigations. At conditions where there are no significant correlations between electric double layers from opposite electrodes, the charging kinetics follows an exponential behavior with a linear dependence of the relaxation time on the cell thickness in excellent agreement with the equivalent circuit model. However, the conventional electrokinetic model breaks down when the electrodes are at small separation, in particular for systems with low ionic strength or high charging voltage. We also find that ionic screening retards the charging kinetics at low salt concentrations, but has the opposite effect at large salt concentrations. C1 [Jiang, Jian; Wu, Jianzhong] Univ Calif Riverside, Dept Chem & Environm Engn & Math, Riverside, CA 92521 USA. [Jiang, Jian; Cao, Dapeng] Beijing Univ Chem Technol, Dept Chem Engn, Beijing 100029, Peoples R China. [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Jiang, J (reprint author), Univ Calif Riverside, Dept Chem & Environm Engn & Math, Riverside, CA 92521 USA. EM jwu@engr.ucr.edu RI Jiang, De-en/D-9529-2011; OI Jiang, De-en/0000-0001-5167-0731; Wu, Jianzhong/0000-0002-4582-5941 FU Fluid Interface Reactions, Structures, and Transport (FIRST) Center; US Department of Energy [DE-FG02-06ER46296]; Chinese Scholarship Council FX Dr Ke Wang participated in the early stage of this research. JJ is grateful to the Chinese Scholarship Council for the visiting fellowship. This research is sponsored by the Fluid Interface Reactions, Structures, and Transport (FIRST) Center and the US Department of Energy (DE-FG02-06ER46296). The numerical calculations were performed at the National Energy Research Scientific Computing Center (NERSC). NR 45 TC 11 Z9 11 U1 6 U2 36 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUL 26 PY 2014 VL 26 IS 28 AR 284102 DI 10.1088/0953-8984/26/28/284102 PG 13 WC Physics, Condensed Matter SC Physics GA AL0PZ UT WOS:000338830300003 PM 24920008 ER PT J AU Jiang, XK Huang, JS Zhao, H Sumpter, BG Qiao, R AF Jiang, Xikai Huang, Jingsong Zhao, Hui Sumpter, Bobby G. Qiao, Rui TI Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE ionic transport; electrical double layers; room-temperature ionic liquids; non-equilibrium transport; molecular dynamics ID FREQUENCY GENERATION SPECTROSCOPY; SLIT NANOPORE; PORE-SIZE; INTERFACE; CAPACITANCE; ELECTROLYTES; RELAXATION; SIMULATION; DEPENDENCE; SALT AB We report detailed simulation results on the formation dynamics of an electrical double layer (EDL) inside an electrochemical cell featuring room-temperature ionic liquids (RTILs) enclosed between two planar electrodes. Under relatively small charging currents, the evolution of cell potential from molecular dynamics (MD) simulations during charging can be suitably predicted by the Landau-Ginzburg-type continuum model proposed recently (Bazant et al 2011 Phys. Rev. Lett. 106 046102). Under very large charging currents, the cell potential from MD simulations shows pronounced oscillation during the initial stage of charging, a feature not captured by the continuum model. Such oscillation originates from the sequential growth of the ionic space charge layers near the electrode surface. This allows the evolution of EDLs in RTILs with time, an atomistic process difficult to visualize experimentally, to be studied by analyzing the cell potential under constant-current charging conditions. While the continuum model cannot predict the potential oscillation under such far-from-equilibrium charging conditions, it can nevertheless qualitatively capture the growth of cell potential during the later stage of charging. Improving the continuum model by introducing frequency-dependent dielectric constant and density-dependent ion diffusion coefficients may help to further extend the applicability of the model. The evolution of ion density profiles is also compared between the MD and the continuum model, showing good agreement. C1 [Jiang, Xikai; Qiao, Rui] Clemson Univ, Dept Mech Engn, Clemson, SC 29634 USA. [Huang, Jingsong; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Huang, Jingsong; Sumpter, Bobby G.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Zhao, Hui] Univ Nevada, Dept Mech Engn, Las Vegas, NV 89154 USA. RP Jiang, XK (reprint author), Clemson Univ, Dept Mech Engn, Clemson, SC 29634 USA. EM rqiao@clemson.edu RI Huang, Jingsong/A-2789-2008; Sumpter, Bobby/C-9459-2013; Qiao, Rui/B-2350-2009 OI Huang, Jingsong/0000-0001-8993-2506; Sumpter, Bobby/0000-0001-6341-0355; Qiao, Rui/0000-0001-5219-5530 FU NSF [CBET-1264578]; Center for Nanophase Materials Sciences - Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX The authors thank the Clemson-CCIT office for providing computer time. The authors thank Professor Martin Bazant (MIT) and Professor Brian Storey (Olin College) for critical reading of our draft manuscript and helpful discussions. The Clemson authors acknowledge support from NSF under Grant No. CBET-1264578. RQ was partially supported by an appointment to the HERE program for faculty at the Oak Ridge National Laboratory (ORNL) administered by ORISE. The authors at ORNL acknowledge the support from the Center for Nanophase Materials Sciences, which is sponsored at ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 43 TC 10 Z9 10 U1 6 U2 53 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUL 26 PY 2014 VL 26 IS 28 AR 284109 DI 10.1088/0953-8984/26/28/284109 PG 9 WC Physics, Condensed Matter SC Physics GA AL0PZ UT WOS:000338830300010 PM 24919471 ER PT J AU Li, S Zhang, PF Fulvio, PF Hillesheim, PC Feng, G Dai, S Cummings, PT AF Li, Song Zhang, Pengfei Fulvio, Pasquale F. Hillesheim, Patrick C. Feng, Guang Dai, Sheng Cummings, Peter T. TI Enhanced performance of dicationic ionic liquid electrolytes by organic solvents SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE dicationic ionic liquids; organic solvents; electrical double layer; capacitance ID ELECTRICAL DOUBLE-LAYER; FORCE-FIELD; PORE-SIZE; MIXTURES; CONDUCTIVITY; ACETONITRILE; SIMULATIONS; CAPACITORS AB The use of dicationic ionic liquid (DIL) electrolytes in supercapacitors is impeded by the slow dynamics of DILs, whereas the addition of organic solvents into DIL electrolytes improves ion transport and then enhances the power density of supercapacitors. In this work, the influences of organic solvents on the conductivity of DILs and the electrical double layer (EDL) of DIL-based supercapacitors are investigated using classical molecular dynamics simulation. Two types of organic solvents, acetonitrile (ACN) and propylene carbonate (PC), were used to explore the effects of different organic solvents on the EDL structure and capacitance of DIL/organic solvent-based supercapacitors. Firstly, it was found that the conductivity of DIL electrolytes was greatly enhanced in the presence of the organic solvent ACN. Secondly, a stronger adsorption of PC on graphite results in different EDL structures formed by DIL/ACN and DIL/PC electrolytes. The expulsion of co-ions from EDLs was observed in DIL/organic solvent electrolytes rather than neat DILs and this feature is more evident in DIL/PC. Furthermore, the bell-shaped differential capacitance-electric potential curve was not essentially changed by the presence of organic solvents. Comparing DIL/organic solvent electrolytes with neat DILs, the capacitance is slightly increased by organic solvents, which is in agreement with experimental observation. C1 [Li, Song; Feng, Guang; Cummings, Peter T.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. [Zhang, Pengfei; Fulvio, Pasquale F.; Hillesheim, Patrick C.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Feng, Guang] Huazhong Univ Sci & Technol, State Key Lab Coal Combust, Wuhan 430074, Peoples R China. [Feng, Guang] Huazhong Univ Sci & Technol, Sch Energy & Power Engn, Wuhan 430074, Peoples R China. RP Feng, G (reprint author), Vanderbilt Univ, Dept Chem & Biomol Engn, 221 Kirkland Hall, Nashville, TN 37235 USA. EM guang.feng@vanderbilt.edu RI Fulvio, Pasquale/B-2968-2014; Zhang, Pengfei/I-5484-2013; Feng, Guang/D-8989-2011; Dai, Sheng/K-8411-2015 OI Feng, Guang/0000-0001-6659-9181; Fulvio, Pasquale/0000-0001-7580-727X; Dai, Sheng/0000-0002-8046-3931 FU Fluid Interface Reactions, Structures, and Transport (FIRST) Center; National Energy Research Scientific Computing Center (NERSC) - Office of Science of the US Department of Energy [DE-AC02-05CH11231]; Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences FX This work was supported by the Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. We acknowledge the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the US Department of Energy under Contract No DE-AC02-05CH11231. GF also appreciates the Palmetto cluster at Clemson University for providing computer time. NR 33 TC 6 Z9 6 U1 4 U2 43 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUL 26 PY 2014 VL 26 IS 28 AR 284105 DI 10.1088/0953-8984/26/28/284105 PG 9 WC Physics, Condensed Matter SC Physics GA AL0PZ UT WOS:000338830300006 PM 24920237 ER PT J AU Van Aken, KL McDonough, JK Li, S Feng, G Chathoth, SM Mamontov, E Fulvio, PF Cummings, PT Dai, S Gogotsi, Y AF Van Aken, Katherine L. McDonough, John K. Li, Song Feng, Guang Chathoth, Suresh M. Mamontov, Eugene Fulvio, Pasquale F. Cummings, Peter T. Dai, Sheng Gogotsi, Yury TI Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE ionic liquids; onion-like carbons; electrochemical capacitor; solid electrolyte interphase; diffusion coefficient ID ELECTRICAL DOUBLE-LAYER; ELECTROCHEMICAL PERFORMANCE; DIFFERENTIAL CAPACITANCE; TEMPERATURE; SURFACE; ELECTROLYTES; SUPERCAPACITORS; VISCOSITY; STORAGE; CONDUCTIVITY AB While most supercapacitors are limited in their performance by the stability of the electrolyte, using neat ionic liquids (ILs) as the electrolyte can expand the voltage window and temperature range of operation. In this study, ILs with bis(trifluoromethylsulfonyl) imide (Tf2N) as the anion were investigated as the electrolyte in onion-like carbon-based electrochemical capacitors. To probe the influence of cations on the electrochemical performance of supercapacitors, three different cations were used: 1-ethyl-3-methylimidazolium, 1-hexyl-3-methylimidazolium and 1,6-bis(3-methylimidazolium-1-yl). A series of electrochemical characterization tests was performed using cyclic voltammetry (CV), galvanostatic cycling and electrochemical impedance spectroscopy (EIS). Diffusion coefficients were measured using EIS and correlated with quasielastic neutron scattering and molecular dynamics simulation. These three techniques were used in parallel to confirm a consistent trend between the three ILs. It was found that the IL with the smaller sized cation had a larger diffusion coefficient, leading to a higher capacitance at faster charge-discharge rates. Furthermore, the IL electrolyte performance was correlated with increasing temperature, which limited the voltage stability window and led to the formation of a solid electrolyte interphase on the carbon electrode surface, evident in both the CV and EIS experiments. C1 [Van Aken, Katherine L.; McDonough, John K.; Gogotsi, Yury] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Van Aken, Katherine L.; McDonough, John K.; Gogotsi, Yury] Drexel Univ, AJ Drexel Nanomaterialstechnol Inst, Philadelphia, PA 19104 USA. [Li, Song; Feng, Guang; Cummings, Peter T.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. [Chathoth, Suresh M.; Mamontov, Eugene] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Fulvio, Pasquale F.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Chathoth, Suresh M.] City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China. RP Van Aken, KL (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM gogotsi@drexel.edu RI Fulvio, Pasquale/B-2968-2014; Mavila Chathoth, Suresh/E-7560-2010; Feng, Guang/D-8989-2011; Mamontov, Eugene/Q-1003-2015; Dai, Sheng/K-8411-2015; OI Fulvio, Pasquale/0000-0001-7580-727X; Mavila Chathoth, Suresh/0000-0002-4120-6959; Mamontov, Eugene/0000-0002-5684-2675; Dai, Sheng/0000-0002-8046-3931; Feng, Guang/0000-0001-6659-9181 FU Fluid Interface Reactions, Structures, and Transport (FIRST) Center; Energy Frontiers Research Center - Office of Science, Office of Basic Energy Sciences, US Department of Energy; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported as part of the Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an Energy Frontiers Research Center funded by the Office of Science, Office of Basic Energy Sciences, US Department of Energy. Part of this research conducted at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. SL acknowledges the National Energy Research Scientific Computing Center (NERSC) for providing the computation time, which is supported by the Office of Science of the US Department of Energy under Contract No DE-AC02-05CH11231. NR 51 TC 14 Z9 14 U1 8 U2 72 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUL 26 PY 2014 VL 26 IS 28 AR 284104 DI 10.1088/0953-8984/26/28/284104 PG 10 WC Physics, Condensed Matter SC Physics GA AL0PZ UT WOS:000338830300005 PM 24920163 ER PT J AU Sarkar, A Sun, X Sundaresan, S AF Sarkar, Avik Sun, Xin Sundaresan, Sankaran TI Verification of sub-grid filtered drag models for gas-particle fluidized beds with immersed cylinder arrays SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE Computational fluid dynamics (CFD); Cylinder arrays; Filtered models; Fluidization; Multiphase flow; Scale-up ID CARTESIAN GRID SIMULATIONS; CONSTITUTIVE RELATIONS; 2-FLUID MODELS; FLOWS; VALIDATION; RISERS AB The accuracy of coarse-grid multiphase CFD simulations of fluidized beds may be improved via the inclusion of filtered constitutive models. In our previous study (Sarkar et al., 2013 Chem. Eng. Sci., 104, pp. 399-412), we developed such a set of filtered drag relationships for beds with immersed arrays of cooling tubes. Verification of these filtered drag models is addressed in this work. Predictions from coarse-grid simulations with the sub-grid filtered corrections are compared against accurate, highly-resolved simulations of full-scale turbulent and bubbling fluidized beds. The filtered drag models offer a computationally efficient yet accurate alternative for obtaining macroscopic predictions, but the spatial resolution of meso-scale clustering heterogeneities is sacrificed. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Sarkar, Avik; Sun, Xin] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Sundaresan, Sankaran] Princeton Univ, Princeton, NJ 08544 USA. RP Sarkar, A (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, POB 999,MSIN K7-90, Richland, WA 99352 USA. EM aviksarkar2@gmail.com FU U.S. Department of Energy, Office of Fossil Energy's Carbon Capture Simulation Initiative (CCSI) through the National Energy Technology Laboratory; U.S. Department of Energy [AC05-76RL01830] FX This work, performed at the Pacific Northwest National Laboratory, was funded by the U.S. Department of Energy, Office of Fossil Energy's Carbon Capture Simulation Initiative (CCSI) through the National Energy Technology Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract no. DE-AC05-76RL01830. We also express our gratitude to Jean-Francois Dietiker and Janine Carney (National Energy Technology Laboratory) and to Sebastien Dartevelle (Los Alamos National Laboratory) for their assistance with this work. NR 25 TC 7 Z9 7 U1 1 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 EI 1873-4405 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD JUL 26 PY 2014 VL 114 BP 144 EP 154 DI 10.1016/j.ces.2014.04.018 PG 11 WC Engineering, Chemical SC Engineering GA AJ7KI UT WOS:000337875200015 ER PT J AU Ge, T Robbins, MO Perahia, D Grest, GS AF Ge, Ting Robbins, Mark O. Perahia, Dvora Grest, Gary S. TI Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength SO PHYSICAL REVIEW E LA English DT Article ID IMMISCIBLE POLYMERS; CHAIN ENTANGLEMENTS; BRITTLE-FRACTURE; MOLECULAR-WEIGHT; AMORPHOUS POLYMERS; GLASSY-POLYMERS; MONTE-CARLO; ADHESION; WIDTH; INTERDIFFUSION AB Self-healing of polymer films often takes place as the molecules diffuse across a damaged region, above their melting temperature. Using molecular dynamics simulations we probe the healing of polymer films and compare the results with those obtained for thermal welding of homopolymer slabs. These two processes differ from each other in their interfacial structure since damage leads to increased polydispersity and more short chains. A polymer sample was cut into two separate films that were then held together in the melt state. The recovery of the damaged film was followed as time elapsed and polymer molecules diffused across the interface. The mass uptake and formation of entanglements, as obtained from primitive path analysis, are extracted and correlated with the interfacial strength obtained from shear simulations. We find that the diffusion across the interface is significantly faster in the damaged film compared to welding because of the presence of short chains. Though interfacial entanglements increase more rapidly for the damaged films, a large fraction of these entanglements are near chain ends. As a result, the interfacial strength of the healing film increases more slowly than for welding. For both healing and welding, the interfacial strength saturates as the bulk entanglement density is recovered across the interface. However, the saturation strength of the damaged film is below the bulk strength for the polymer sample. At saturation, cut chains remain near the healing interface. They are less entangled and as a result they mechanically weaken the interface. Chain stiffness increases the density of entanglements, which increases the strength of the interface. Our results show that a few entanglements across the interface are sufficient to resist interfacial chain pullout and enhance the mechanical strength. C1 [Ge, Ting; Robbins, Mark O.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Perahia, Dvora] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [Grest, Gary S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ge, T (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. FU National Science Foundation [DMR-1006805, CMMI-0923018, OCI-0963185]; Simons Foundation; Department of Energy [DE-FG02-12ER46843]; Office of Science of the United States Department of Energy [DE-AC02-05CH11231]; Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank E. J. Kramer and M. Rubinstein for useful discussions. This work was supported by the National Science Foundation under Grants No. DMR-1006805, No. CMMI-0923018, and No. OCI-0963185. M.O.R. acknowledges support from the Simons Foundation. D.P. and G.S.G. acknowledge support from Department of Energy Award No. DE-FG02-12ER46843. This research used resources at the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the United States Department of Energy under Contract No. DE-AC02-05CH11231. Research was carried out in part at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 70 TC 10 Z9 10 U1 13 U2 69 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD JUL 25 PY 2014 VL 90 IS 1 AR 012602 DI 10.1103/PhysRevE.90.012602 PG 15 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AO3TM UT WOS:000341258800006 PM 25122327 ER PT J AU Watanabe, H Lorusso, G Nishimura, S Otsuka, T Ogawa, K Xu, ZY Sumikama, T Soderstrom, PA Doornenbal, P Li, Z Browne, F Gey, G Jung, HS Taprogge, J Vajta, Z Wu, J Yagi, A Baba, H Benzoni, G Chae, KY Crespi, FCL Fukuda, N Gernhauser, R Inabe, N Isobe, T Jungclaus, A Kameda, D Kim, GD Kim, YK Kojouharov, I Kondev, FG Kubo, T Kurz, N Kwon, YK Lane, GJ Moon, CB Montaner-Piza, A Moschner, K Naqvi, F Niikura, M Nishibata, H Nishimura, D Odahara, A Orlandi, R Patel, Z Podolyak, Z Sakurai, H Schaffner, H Simpson, GS Steiger, K Suzuki, H Takeda, H Wendt, A Yoshinaga, K AF Watanabe, H. Lorusso, G. Nishimura, S. Otsuka, T. Ogawa, K. Xu, Z. Y. Sumikama, T. Soederstroem, P. -A. Doornenbal, P. Li, Z. Browne, F. Gey, G. Jung, H. S. Taprogge, J. Vajta, Zs. Wu, J. Yagi, A. Baba, H. Benzoni, G. Chae, K. Y. Crespi, F. C. L. Fukuda, N. Gernhaeuser, R. Inabe, N. Isobe, T. Jungclaus, A. Kameda, D. Kim, G. D. Kim, Y. K. Kojouharov, I. Kondev, F. G. Kubo, T. Kurz, N. Kwon, Y. K. Lane, G. J. Moon, C. -B. Montaner-Piza, A. Moschner, K. Naqvi, F. Niikura, M. Nishibata, H. Nishimura, D. Odahara, A. Orlandi, R. Patel, Z. Podolyak, Zs. Sakurai, H. Schaffner, H. Simpson, G. S. Steiger, K. Suzuki, H. Takeda, H. Wendt, A. Yoshinaga, K. TI Monopole-Driven Shell Evolution below the Doubly Magic Nucleus Sn-132 Explored with the Long-Lived Isomer in Pd-126 SO PHYSICAL REVIEW LETTERS LA English DT Article ID RIKEN AB A new isomer with a half-life of 23.0(8) ms has been identified at 2406 keV in Pd-126 and is proposed to have a spin and parity of 10(+) with a maximally aligned configuration comprising two neutron holes in the 1h(11/2) orbit. In addition to an internal-decay branch through a hindered electric octupole transition, beta decay from the long-lived isomer was observed to populate excited states at high spins in Ag-126. The smaller energy difference between the 10(+) and 7(-) isomers in Pd-126 than in the heavier N = 80 isotones can be interpreted as being ascribed to the monopole shift of the 1h(11/2) neutron orbit. The effects of the monopole interaction on the evolution of single-neutron energies below Sn-132 are discussed in terms of the central and tensor forces. C1 [Watanabe, H.] Beihang Univ, Sch Phys & Nucl Energy Engn, IRCNPC, Beijing 100191, Peoples R China. [Watanabe, H.; Lorusso, G.; Nishimura, S.; Ogawa, K.; Soederstroem, P. -A.; Doornenbal, P.; Browne, F.; Taprogge, J.; Vajta, Zs.; Wu, J.; Baba, H.; Fukuda, N.; Inabe, N.; Isobe, T.; Kameda, D.; Kubo, T.; Sakurai, H.; Suzuki, H.; Takeda, H.] RIKEN, Nishina Ctr, Wako, Saitama 3510198, Japan. [Otsuka, T.; Xu, Z. Y.; Niikura, M.] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Otsuka, T.] Univ Tokyo, Ctr Nucl Study, Tokyo 1130033, Japan. [Sumikama, T.] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. [Li, Z.; Wu, J.] Peking Univ, Dept Phys, Beijing 100871, Peoples R China. [Browne, F.] Univ Brighton, Sch Comp Engn & Math, Brighton BN2 4GJ, E Sussex, England. [Gey, G.; Simpson, G. S.] Univ Grenoble 1, CNRS, Inst Natl Polytech Grenoble, IN2P3,LPSC, F-38026 Grenoble, France. [Jung, H. S.] Chung Ang Univ, Dept Phys, Seoul 156756, South Korea. [Taprogge, J.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Taprogge, J.; Jungclaus, A.] CSIC, Inst Estruct Mat, E-28006 Madrid, Spain. [Vajta, Zs.] MTA Atomki, H-4001 Debrecen, Hungary. [Yagi, A.; Nishibata, H.; Odahara, A.] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Benzoni, G.; Crespi, F. C. L.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Crespi, F. C. L.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Gernhaeuser, R.; Steiger, K.] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. [Kim, G. D.; Kim, Y. K.; Kwon, Y. K.] Inst for Basic Sci Korea, Rare Isotope Sci Project, Taejon 305811, South Korea. [Kim, Y. K.] Hanyang Univ, Dept Nucl Engn, Seoul 133791, South Korea. [Kojouharov, I.; Kurz, N.; Schaffner, H.] Gesell Schwerionenforsch mbH, GSI Helmholtzzentrum, D-64291 Darmstadt, Germany. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Lane, G. J.] Australian Natl Univ, RSPE, Dept Nucl Phys, Canberra, ACT 0200, Australia. [Moon, C. -B.] Hoseo Univ, Dept Display Engn, Chungnam 336795, South Korea. [Montaner-Piza, A.] Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. [Moschner, K.; Wendt, A.] Univ Cologne, Inst Kernphys, D-50937 Cologne, Germany. [Naqvi, F.] Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. [Nishimura, D.; Yoshinaga, K.] Tokyo Univ Sci, Fac Sci & Technol, Dept Phys, Noda, Chiba, Japan. [Orlandi, R.] Univ Leuven, KU Leuven, Inst Kern Stralingsfys, B-3001 Leuven, Belgium. [Patel, Z.; Podolyak, Zs.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. RP Watanabe, H (reprint author), Beihang Univ, Sch Phys & Nucl Energy Engn, IRCNPC, Beijing 100191, Peoples R China. EM hiroshi@ribf.riken.jp RI SAKURAI, HIROYOSHI/G-5085-2014; Lane, Gregory/A-7570-2011; OTSUKA, TAKAHARU/G-5072-2014 OI Lane, Gregory/0000-0003-2244-182X; FU Rare Isotope Science Pro - MSIP; NRF of Korea; Priority Centers Research Program in Korea [2009-0093817]; OTKA [K100835]; U.S. DOE, Office of Nuclear Physics [DE-AC02- 06CH11357]; Spanish Ministerio de Ciencia e Innovacion [FPA2009-13377-C02, FPA2011-29854-C04]; European Commission through the Marie Curie Actions call FP7 [300096]; German BMBF [05P12PKFNE]; JSPS KAKENHI [24740188, 25247045]; MSIP of Korea; [NRF-2012R1A1A1041763] FX We thank the staff at RIBF for providing the beams, the EUROBALL Owners Committee for the loan of germanium detectors, the PreSpec Collaboration for the use of the readout electronics. Part of the WAS3ABi was supported by the Rare Isotope Science Project which is funded by MSIP and NRF of Korea. This work was supported by the Priority Centers Research Program in Korea (Contract No. 2009-0093817), OTKA Contract No. K100835, the U.S. DOE, Office of Nuclear Physics (Contract No. DE-AC02- 06CH11357), NRF-2012R1A1A1041763, the Spanish Ministerio de Ciencia e Innovacion (Grants No. FPA2009-13377-C02 and No. FPA2011-29854-C04), the European Commission through the Marie Curie Actions call FP7-PEOPLE-2011-IEF (Contract No. 300096), German BMBF under Contract No: 05P12PKFNE, and JSPS KAKENHI Grants No. 24740188 and No. 25247045. We thank Professor K. Kaneko and Y. Sun for valuable discussions on shell-model calculations. NR 28 TC 7 Z9 7 U1 0 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 25 PY 2014 VL 113 IS 4 AR 042502 DI 10.1103/PhysRevLett.113.042502 PG 6 WC Physics, Multidisciplinary SC Physics GA AO3UH UT WOS:000341261100004 PM 25105611 ER PT J AU Zupanc, A Bartel, C Gabyshev, N Adachi, I Aihara, H Asner, DM Aulchenko, V Aushev, T Bakich, AM Bala, A Belous, K Bhuyan, B Bondar, A Bonvicini, G Bozek, A Bracko, M Browder, TE Cervenkov, D Chang, MC Chekelian, V Cheon, BG Chilikin, K Chistov, R Cho, IS Cho, K Chobanova, V Choi, SK Choi, Y Cinabro, D Dalseno, J Danilov, M Dolezal, Z Drasal, Z Dutta, D Dutta, K Eidelman, S Epifanov, D Farhat, H Fast, JE Feindt, M Ferber, T Gaur, V Ganguly, S Garmash, A Gillard, R Glattauer, R Goh, YM Golob, B Haba, J Hayasaka, K Hayashii, H He, XH Hoshi, Y Hou, WS Huschle, M Hyun, HJ Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Iwashita, T Jaegle, I Julius, T Kang, JH Kato, E Kato, Y Kawasaki, T Kichimi, H Kim, DY Kim, HJ Kim, JB Kim, JH Kim, MJ Kim, YJ Kinoshita, K Klucar, J Ko, BR Kodys, P Korpar, S Krizan, P Krokovny, P Kronenbitter, B Kuhr, T Kumita, T Kuzmin, A Kwon, YJ Lee, SH Li, J Li, Y Libby, J Liu, C Liu, Y Liu, ZQ Liventsev, D MacNaughton, J Miyabayashi, K Miyata, H Mizuk, R Mohanty, GB Moll, A Mussa, R Nakano, E Nakao, M Nakazawa, H Natkaniec, Z Nayak, M Nedelkovska, E Niiyama, M Nisar, NK Nishida, S Nitoh, O Ogawa, S Olsen, SL Ostrowicz, W Pakhlov, P Pakhlova, G Park, CW Park, H Park, HK Pedlar, TK Pestotnik, R Petric, M Piilonen, LE Ritter, M Rohrken, M Rostomyan, A Ryu, S Sahoo, H Saito, T Sakai, Y Sandilya, S Santelj, L Sanuki, T Savinov, V Schneider, O Schnell, G Schwanda, C Semmler, D Senyo, K Seon, O Sevior, ME Shapkin, M Shen, CP Shibata, TA Shiu, JG Shwartz, B Sibidanov, A Simon, F Sohn, YS Sokolov, A Solovieva, E Stanic, S Staric, M Steder, M Sumiyoshi, T Tamponi, U Tanida, K Tatishvili, G Teramoto, Y Trabelsi, K Uchida, M Uehara, S Unno, Y Uno, S Urquijo, P Usov, Y Van Hulse, C Vanhoefer, P Varner, G Varvell, KE Vinokurova, A Vorobyev, V Wagner, MN Wang, CH Wang, P Wang, XL Watanabe, M Watanabe, Y Williams, KM Won, E Yamamoto, H Yamashita, Y Yashchenko, S Yook, Y Zhang, ZP Zhilich, V Zhulanov, V AF Zupanc, A. Bartel, C. Gabyshev, N. Adachi, I. Aihara, H. Asner, D. M. Aulchenko, V. Aushev, T. Bakich, A. M. Bala, A. Belous, K. Bhuyan, B. Bondar, A. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Cervenkov, D. Chang, M. -C. Chekelian, V. Cheon, B. G. Chilikin, K. Chistov, R. Cho, I. -S. Cho, K. Chobanova, V. Choi, S. -K. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dolezal, Z. Drasal, Z. Dutta, D. Dutta, K. Eidelman, S. Epifanov, D. Farhat, H. Fast, J. E. Feindt, M. Ferber, T. Gaur, V. Ganguly, S. Garmash, A. Gillard, R. Glattauer, R. Goh, Y. M. Golob, B. Haba, J. Hayasaka, K. Hayashii, H. He, X. H. Hoshi, Y. Hou, W. -S. Huschle, M. Hyun, H. J. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Iwashita, T. Jaegle, I. Julius, T. Kang, J. H. Kato, E. Kato, Y. Kawasaki, T. Kichimi, H. Kim, D. Y. Kim, H. J. Kim, J. B. Kim, J. H. Kim, M. J. Kim, Y. J. Kinoshita, K. Klucar, J. Ko, B. R. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kronenbitter, B. Kuhr, T. Kumita, T. Kuzmin, A. Kwon, Y. -J. Lee, S. -H. Li, J. Li, Y. Libby, J. Liu, C. Liu, Y. Liu, Z. Q. Liventsev, D. MacNaughton, J. Miyabayashi, K. Miyata, H. Mizuk, R. Mohanty, G. B. Moll, A. Mussa, R. Nakano, E. Nakao, M. Nakazawa, H. Natkaniec, Z. Nayak, M. Nedelkovska, E. Niiyama, M. Nisar, N. K. Nishida, S. Nitoh, O. Ogawa, S. Olsen, S. L. Ostrowicz, W. Pakhlov, P. Pakhlova, G. Park, C. W. Park, H. Park, H. K. Pedlar, T. K. Pestotnik, R. Petric, M. Piilonen, L. E. Ritter, M. Roehrken, M. Rostomyan, A. Ryu, S. Sahoo, H. Saito, T. Sakai, Y. Sandilya, S. Santelj, L. Sanuki, T. Savinov, V. Schneider, O. Schnell, G. Schwanda, C. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shapkin, M. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Shwartz, B. Sibidanov, A. Simon, F. Sohn, Y. -S. Sokolov, A. Solovieva, E. Stanic, S. Staric, M. Steder, M. Sumiyoshi, T. Tamponi, U. Tanida, K. Tatishvili, G. Teramoto, Y. Trabelsi, K. Uchida, M. Uehara, S. Unno, Y. Uno, S. Urquijo, P. Usov, Y. Van Hulse, C. Vanhoefer, P. Varner, G. Varvell, K. E. Vinokurova, A. Vorobyev, V. Wagner, M. N. Wang, C. H. Wang, P. Wang, X. L. Watanabe, M. Watanabe, Y. Williams, K. M. Won, E. Yamamoto, H. Yamashita, Y. Yashchenko, S. Yook, Y. Zhang, Z. P. Zhilich, V. Zhulanov, V. CA Belle Collaboration TI Measurement of the Branching Fraction B(Lambda(+)(c) -> pK(-)pi(+)) SO PHYSICAL REVIEW LETTERS LA English DT Article ID DECAY; PACKAGE; C+ AB We present the first model-independent measurement of the absolute branching fraction of the Lambda(+)(c) -> pK(-)pi(+)decay using a data sample of 978 fb(-1) collected with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. The number of Lambda(+)(c) baryons is determined by reconstructing the recoiling D(*)(-)(p) over bar pi(+)system in events of the type e(+)e(-) -> D(*)(-)(p) over bar pi(+)Lambda(+)(c). The branching fraction is measured to be B(Lambda(+)(c) -> pK(-)pi(+)) = (6.84 +/- 0.24(-0.27)(+0.21))%, where the first and second uncertainties are statistical and systematic, respectively. C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country, UPV EHU, Bilbao 48080, Spain. [Shen, C. P.] Beihang Univ, Beijing 100191, Peoples R China. [Urquijo, P.] Univ Bonn, D-53115 Bonn, Germany. [Gabyshev, N.; Aulchenko, V.; Bondar, A.; Eidelman, S.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Shwartz, B.; Usov, Y.; Vinokurova, A.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Budker Inst Nucl Phys, SB RAS, Novosibirsk 630090, Russia. [Gabyshev, N.; Aulchenko, V.; Bondar, A.; Eidelman, S.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Shwartz, B.; Usov, Y.; Vinokurova, A.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Cervenkov, D.; Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague, Czech Republic. [Kinoshita, K.; Liu, Y.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Ferber, T.; Rostomyan, A.; Steder, M.; Yashchenko, S.] Deutsches Elektronen Synchrotron, D-22607 Hamburg, Germany. [Chang, M. -C.] Fu Jen Catholic Univ, Dept Phys, Taipei 24205, Taiwan. [Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Choi, S. -K.] Gyeongsang Natl Univ, Chinju 660701, South Korea. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Jaegle, I.; Sahoo, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Haba, J.; Itoh, R.; Iwasaki, Y.; Kichimi, H.; Liventsev, D.; MacNaughton, J.; Nakao, M.; Nishida, S.; Sakai, Y.; Trabelsi, K.; Uehara, S.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Schnell, G.] Ikerbasque, Basque Fdn Sci, Bilbao 48011, Spain. [Bhuyan, B.; Dutta, D.; Dutta, K.] Indian Inst Technol, Gauhati 781039, Assam, India. [Libby, J.; Nayak, M.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Liu, Z. Q.; Wang, P.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Glattauer, R.; Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Belous, K.; Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Mussa, R.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Aushev, T.; Chilikin, K.; Chistov, R.; Danilov, M.; Mizuk, R.; Pakhlov, P.; Pakhlova, G.; Solovieva, E.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Zupanc, A.; Bracko, M.; Golob, B.; Klucar, J.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Staric, M.] J Stefan Inst, Ljubljana 1000, Slovenia. [Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Bartel, C.; Feindt, M.; Huschle, M.; Kronenbitter, B.; Kuhr, T.; Roehrken, M.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Iwashita, T.] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Kim, J. B.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Niiyama, M.] Kyoto Univ, Kyoto 6068502, Japan. [Hyun, H. J.; Kim, H. J.; Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Bracko, M.; Korpar, S.] Univ Maribor, SLO-2000 Maribor, Slovenia. [Chekelian, V.; Chobanova, V.; Dalseno, J.; Moll, A.; Nedelkovska, E.; Ritter, M.; Simon, F.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Danilov, M.; Mizuk, R.; Pakhlov, P.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Iijima, T.; Kato, Y.; Seon, O.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Hayasaka, K.; Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan. [Wang, C. H.] Nat United Univ, Miaoli 36003, Taiwan. [Hou, W. -S.; Shiu, J. -G.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Bozek, A.; Natkaniec, Z.; Ostrowicz, W.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. [Kawasaki, T.; Miyata, H.; Watanabe, M.] Niigata Univ, Niigata 9502181, Japan. [Stanic, S.] Univ Nova Gorica, Nova Gorica 5000, Slovenia. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Asner, D. M.; Fast, J. E.; Tatishvili, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bala, A.] Panjab Univ, Chandigarh 160014, India. [He, X. H.] Peking Univ, Beijing 100871, Peoples R China. [Savinov, V.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Liu, C.; Zhang, Z. P.] Univ Sci & Technol China, Anhua 230026, Peoples R China. [Li, J.; Olsen, S. L.; Ryu, S.; Santelj, L.; Tanida, K.] Seoul Natl Univ, Seoul 151742, South Korea. [Kim, D. Y.] Soongsil Univ, Seoul 156743, South Korea. [Choi, Y.; Park, C. W.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bakich, A. M.; Sibidanov, A.; Varvell, K. E.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Gaur, V.; Mohanty, G. B.; Nisar, N. K.; Sandilya, S.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Dalseno, J.; Moll, A.; Simon, F.] Tech Univ Munich, Excellence Cluster Universe, D-85748 Garching, Germany. [Ogawa, S.] Toho Univ, Funabashi, Chiba 2748510, Japan. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Ishikawa, A.; Kato, E.; Saito, T.; Sanuki, T.; Yamamoto, H.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Aihara, H.; Epifanov, D.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Kumita, T.; Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Koganei, Tokyo 1848588, Japan. [Tamponi, U.] Univ Turin, I-10124 Turin, Italy. [Li, Y.; Piilonen, L. E.; Wang, X. L.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Cho, I. -S.; Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. [Nakazawa, H.] Natl Cent Univ, Chungli 32054, Taiwan. RP Zupanc, A (reprint author), J Stefan Inst, Ljubljana 1000, Slovenia. RI Aihara, Hiroaki/F-3854-2010; Pakhlov, Pavel/K-2158-2013; Danilov, Mikhail/C-5380-2014; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Chilikin, Kirill/B-4402-2014; EPFL, Physics/O-6514-2016; Chistov, Ruslan/B-4893-2014; Pakhlova, Galina/C-5378-2014; Cervenkov, Daniel/D-2884-2017; Solovieva, Elena/B-2449-2014 OI Aihara, Hiroaki/0000-0002-1907-5964; Pakhlov, Pavel/0000-0001-7426-4824; Danilov, Mikhail/0000-0001-9227-5164; Krokovny, Pavel/0000-0002-1236-4667; Chilikin, Kirill/0000-0001-7620-2053; Chistov, Ruslan/0000-0003-1439-8390; Pakhlova, Galina/0000-0001-7518-3022; Cervenkov, Daniel/0000-0002-1865-741X; Solovieva, Elena/0000-0002-5735-4059 FU MEXT (Japan); JSPS (Japan); Nagoya's TLPRC (Japan); ARC and DIISR (Australia); FWF (Austria); NSFC (China); MSMT (Czechia); CZF (Germany); DFG (Germany); VS (Germany); DST (India); INFN (Italy); MOE (Korea); MSIP (Korea); NRF (Korea); GSDC of KISTI (Korea); BK21Plus (Korea); WCU (Korea); NCN (Poland); RFAAE (Russia); ARRS(Slovenia); UPV/EHU (Spain); SNSF (Switzerland); MOE (Taiwan); DOE (U.S.); NSF (U.S.); MNiSW (Poland); IKERBASQUE (Spain); NSC (Taiwan); MES (Russia) FX We thank the KEKB group for excellent operation of the accelerator, the KEK cryogenics group for efficient solenoid operations, and the KEK computer group, the NII, and PNNL/EMSL for valuable computing and SINET4 network support. We acknowledge support from MEXT, JSPS, and Nagoya's TLPRC (Japan); ARC and DIISR (Australia); FWF (Austria); NSFC (China); MSMT (Czechia); CZF, DFG, and VS (Germany); DST (India); INFN (Italy); MOE, MSIP, NRF, GSDC of KISTI, BK21Plus, and WCU (Korea); MNiSW and NCN (Poland); MES and RFAAE (Russia); ARRS(Slovenia); IKERBASQUE and UPV/EHU (Spain); SNSF (Switzerland); NSC and MOE (Taiwan); and DOE and NSF (U.S.). NR 17 TC 28 Z9 30 U1 2 U2 35 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 25 PY 2014 VL 113 IS 4 AR 042002 DI 10.1103/PhysRevLett.113.042002 PG 7 WC Physics, Multidisciplinary SC Physics GA AO3UH UT WOS:000341261100003 PM 25105609 ER PT J AU Smaluk, V Fielder, R Blednykh, A Rehm, G Bartolini, R AF Smaluk, Victor Fielder, Richard Blednykh, Alexei Rehm, Guenther Bartolini, Riccardo TI Coupling impedance of an in-vacuum undulator: Measurement, simulation, and analytical estimation SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB One of the important issues of the in-vacuum undulator design is the coupling impedance of the vacuum chamber, which includes tapered transitions with variable gap size. To get complete and reliable information on the impedance, analytical estimate, numerical simulations and beam-based measurements have been performed at Diamond Light Source, a forthcoming upgrade of which includes introducing additional insertion device (ID) straights. The impedance of an already existing ID vessel geometrically similar to the new one has been measured using the orbit bump method. The measurement results in comparison with analytical estimations and numerical simulations are discussed in this paper. C1 [Smaluk, Victor; Fielder, Richard; Rehm, Guenther; Bartolini, Riccardo] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Blednykh, Alexei] Brookhaven Natl Lab, Upton, NY 11973 USA. [Bartolini, Riccardo] Univ Oxford, John Adams Inst, Oxford OX1 3RH, England. RP Smaluk, V (reprint author), Diamond Light Source, Didcot OX11 0DE, Oxon, England. EM victor.smalyuk@diamond.ac.uk FU DOE [DE-AC02-98CH10886] FX The authors would like to thank S. Krinsky for very useful discussions. This work was supported by DOE Contract No. DE-AC02-98CH10886. NR 11 TC 0 Z9 0 U1 2 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD JUL 25 PY 2014 VL 17 IS 7 AR 074402 DI 10.1103/PhysRevSTAB.17.074402 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AO3UP UT WOS:000341262000002 ER PT J AU Wurtz, WA Pywell, RE Norum, BE Kucuker, S Sawatzky, BD Weller, HR Stave, S Ahmed, MW AF Wurtz, W. A. Pywell, R. E. Norum, B. E. Kucuker, S. Sawatzky, B. D. Weller, H. R. Stave, S. Ahmed, M. W. TI Photodisintegration of Li-6 SO PHYSICAL REVIEW C LA English DT Article ID ANGULAR-DISTRIBUTION COEFFICIENTS; STORAGE-RING; LI-6(GAMMA,P) REACTION; PHOTO-DISINTEGRATION; POLARIZED PHOTONS; NEAR-THRESHOLD; LIGHT-NUCLEI; LI6; SCINTILLATOR; ENERGIES AB The cross sections for the photodisintegration of Li-6 have been measured for all the available reaction channels that have neutrons in the final state, except the Li-6(gamma, p(0))He-5(g.s.) channel. The cross sections were measured at the photon energies, 8, 9, 10, 11, 12, 13, 15, and 15.6 MeV using linearly polarized photons, and 20, 25, 30, and 35 MeV using circularly polarized photons. Associated Legendre function coefficients are extracted for the Li-6(gamma, n(0))Li-5(g.s.) and Li-6(gamma, n(1))Li-5(1.49) channels. For all observed reaction channels Legendre function parametrizations are used to determine total cross sections. Comparisons with recent theoretical calculations of the total photodisintegration cross section using various nucleon-nucleon interactions are inconclusive because of the large uncertainty in the cross sections for reactions channels that are not measured. We hope that the precision of our results for specific reaction channels will prompt calculations for those reaction channels. C1 [Wurtz, W. A.; Pywell, R. E.] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. [Wurtz, W. A.] Canadian Light Source, Saskatoon, SK S7N 2V3, Canada. [Norum, B. E.; Kucuker, S.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Sawatzky, B. D.] Temple Univ, Jefferson Lab, Newport News, VA 23606 USA. [Weller, H. R.; Stave, S.; Ahmed, M. W.] Duke Univ, Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Ahmed, M. W.] N Carolina Cent Univ, Dept Phys, Durham, NC 27707 USA. RP Wurtz, WA (reprint author), Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. EM rob.pywell@usask.ca FU Natural Sciences and Engineering Research Council of Canada (NSERC) FX We would like to acknowledge the financial support of the Natural Sciences and Engineering Research Council of Canada (NSERC). This research has been enabled by the use of computing resources provided by WestGrid and Compute/Calcul Canada. We would like to thank Johannes Vogt and the staff of the Canadian Light Source for their help in constructing the lithium target. We would also like to thank the staff of the High Intensity Gamma-Ray Source for their collaboration and the excellent operation of the accelerator. This work comprises part of the thesis of Wurtz [10]. NR 46 TC 1 Z9 1 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 25 PY 2014 VL 90 IS 1 AR 014613 DI 10.1103/PhysRevC.90.014613 PG 15 WC Physics, Nuclear SC Physics GA AM5SL UT WOS:000339920400001 ER PT J AU Aab, A Abreu, P Aglietta, M Ahlers, M Ahn, EJ Al Samarai, I Albuquerque, IFM Allekotte, I Allen, J Allison, P Almela, A Castillo, JA Alvarez-Munniz, J Batista, RA Ambrosio, M Aminaei, A Anchordoqui, L Andringa, S Aramo, C Arqueros, F Asorey, H Assis, P Aublin, J Ave, M Avenier, M Avila, G Badescu, AM Barber, KB Bauml, J Baus, C Beatty, JJ Becker, KH Bellido, JA Berat, C Bertou, X Biermann, PL Billoir, P Blanco, F Blanco, M Bleve, C Blumer, H Bohacova, M Boncioli, D Bonifazi, C Bonino, R Borodai, N Brack, J Brancus, I Brogueira, P Brown, WC Buchholz, P Bueno, A Buscemi, M Caballero-Mora, KS Caccianiga, B Caccianiga, L Candusso, M Caramete, L Caruso, R Castellina, A Cataldi, G Cazon, L Cester, R Chavez, AG Cheng, SH Chiavassa, A Chinellato, JA Chudoba, J Cilmo, M Clay, RW Cocciolo, G Colalillo, R Collica, L Coluccia, MR Conceicao, R Contreras, F Cooper, MJ Coutu, S Covault, CE Criss, A Cronin, J Curutiu, A Dallier, R Daniel, B Dasso, S Daumiller, K Dawson, BR de Almeida, RM De Domenico, M de Jong, SJ Neto, JRTDM De Mitri, I de Oliveira, J de Souza, V del Peral, L Deligny, O Dembinski, H Dhital, N Di Giulio, C Di Matteo, A Diaz, JC Castro, MLD Diep, PN Diogo, F Dobrigkeit, C Docters, W D'Olivo, JC Dong, PN Dorofeev, A Hasankiadeh, QD Dova, MT Ebr, J Engel, R Erdmann, M Erfani, M Escobar, CO Espadanal, J Etchegoyen, A Luis, PFS Falcke, H Fang, K Farrar, G Fauth, AC Fazzini, N Ferguson, AP Fernandes, M Fick, B Figueira, JM Filevich, A Filipcic, A Fox, BD Fratu, O Frohlich, U Fuchs, B Fuji, T Gaior, R Garcia, B Roca, STG Garcia-Gamez, D Garcia-Pinto, D Garilli, G Bravo, AG Gate, F Gemmeke, H Ghia, PL Giaccari, U Giammarchi, M Giller, M Glaser, C Glass, H Albarracin, FG Berisso, MG Vitale, PFG Goncalves, P Gonzalez, JG Gookin, B Gorgi, A Gorham, P Gouffon, P Grebe, S Griffith, N Grillo, AF Grubb, TD Guardincerri, Y Guarino, F Guedes, GP Hansen, P Harari, D Harrison, TA Harton, JL Haungs, A Hebbeker, T Heck, D Heimann, P Herve, AE Hill, GC Hojvat, C Hollon, N Holt, E Homola, P Horandel, JR Horvath, P Hrabovsky, M Huber, D Huege, T Insolia, A Isar, PG Islo, K Jandt, I Jansen, S Jarne, C Josebachuili, M Kaapa, A Kambeitz, O Kampert, KH Kasper, P Katkov, I Kegl, B Keilhauer, B Keivani, A Kemp, E Kieckhafer, RM Klages, HO Kleifges, M Kleinfeller, J Krause, R Krohm, N Kromer, O Kruppke-Hansen, D Kuempel, D Kunka, N La Rosa, G LaHurd, D Latronico, L Lauer, R Lauscher, M Lautridou, P Le Coz, S Leao, MSAB Lebrun, D Lebrun, P De Oliveira, MAL Letessier-Selvon, A Lhenry-Yvon, I Link, K Lopez, R Aguera, AL Louedec, K Bahilo, JL Lu, L Lucero, A Ludwig, M Lyberis, H Maccarone, MC Malacari, M Maldera, S Maller, J Mandat, D Mantsch, P Mariazzi, AG Marin, V Maris, IC Marsella, G Martello, D Martin, L Martinez, H Bravo, OM Martraire, D Meza, JJM Mathes, HJ Mathys, S Matthews, AJ Matthews, J Matthiae, G Maurel, D 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Schulz, J. Sciutto, S. J. Segreto, A. Settimo, M. Shadkam, A. Shellard, R. C. Sidelnik, I. Sigl, G. Sima, O. Smialkowski, A. Smida, R. Snow, G. R. Sommers, P. Sorokin, J. Squartini, R. Srivastava, Y. N. Stanic, S. Stapleton, J. Stasielak, J. Stephan, M. Stutz, A. Suarez, F. Suomijaervi, T. Supanitsky, A. D. Sutherland, M. S. Swain, J. Szadkowski, Z. Szuba, M. Taborda, O. A. Tapia, A. Tartare, M. Thao, N. T. Theodoro, V. M. Tiffenberg, J. Timmermans, C. Todero Peixoto, C. J. Toma, G. Tomankova, L. Tome, B. Tonachini, A. Torralba Elipe, G. Machado, D. Torres Travnicek, P. Trovato, E. Tueros, M. Ulrich, R. Unger, M. Urban, M. Valdes Galicia, J. F. Valino, I. Valore, L. van Aar, G. van den Berg, A. M. van Velzen, S. van Vliet, A. Varela, E. Vargas Cardenas, B. Varner, G. Vazquez, J. R. Vazquez, R. A. Veberic, D. Verzi, V. Vicha, J. Videla, M. Villasenor, L. Vlcek, B. Vorobiov, S. Wahlberg, H. Wainberg, O. Walz, D. Watson, A. A. Weber, M. Weidenhaupt, K. Weindl, A. Werner, F. Whelan, B. J. Widom, A. Wiencke, L. Wilczynska, B. Wilczynski, H. Will, M. Williams, C. Winchen, T. Wittkowski, D. Wundheiler, B. Wykes, S. Yamamoto, T. Yapici, T. Younk, P. Yuan, G. Yushkov, A. Zamorano, B. Zas, E. Zavrtanik, D. Zavrtanik, M. Zaw, I. Zepeda, A. Zhou, J. Zhu, Y. Silva, M. Zimbres Ziolkowski, M. CA Pierre Auger Collaboration TI Muons in air showers at the Pierre Auger Observatory: Measurement of atmospheric production depth SO PHYSICAL REVIEW D LA English DT Article ID SURFACE DETECTOR ARRAY; COSMIC-RAYS; MODEL; SYSTEM AB The surface detector array of the Pierre Auger Observatory provides information about the longitudinal development of the muonic component of extensive air showers. Using the timing information from the flash analog-to-digital converter traces of surface detectors far from the shower core, it is possible to reconstruct a muon production depth distribution. We characterize the goodness of this reconstruction for zenith angles around 60 degrees and different energies of the primary particle. From these distributions, we define X-max(mu) as the depth along the shower axis where the production of muons reaches maximum. We explore the potentiality of X-max(mu) as a useful observable to infer the mass composition of ultrahigh-energy cosmic rays. Likewise, we assess its ability to constrain hadronic interaction models. C1 [Aab, A.; Buchholz, P.; Erfani, M.; Froehlich, U.; Heimann, P.; Homola, P.; Niechciol, M.; Ochilo, L.; Risse, M.; Yushkov, A.; Ziolkowski, M.] Univ Siegen, D-57068 Siegen, Germany. [Abreu, P.; Andringa, S.; Assis, P.; Brogueira, P.; Cazon, L.; Conceicao, R.; Diogo, F.; Espadanal, J.; Goncalves, P.; Oliveira, M.; Pimenta, M.; Santo, C. E.; Santos, E.; Sarmento, R.; Tome, B.] Univ Lisbon, Lab Instrumentacao & Fis Expt Particulas LIP, P-1699 Lisbon, Portugal. [Abreu, P.; Andringa, S.; Assis, P.; Brogueira, P.; Cazon, L.; Conceicao, R.; Diogo, F.; Espadanal, J.; Goncalves, P.; Oliveira, M.; Pimenta, M.; Santo, C. E.; Santos, E.; Sarmento, R.; Tome, B.] Univ Lisbon, Inst Super Tecn, P-1699 Lisbon, Portugal. [Aglietta, M.; Bonino, R.; Castellina, A.; Chiavassa, A.; Gorgi, A.; Latronico, L.; Maldera, S.; Morello, C.; Navarra, G.] Univ Turin, INAF, Osservatorio Astron Torino, Turin, Italy. [Aglietta, M.; Bonino, R.; Castellina, A.; Cester, R.; Chiavassa, A.; Gorgi, A.; Latronico, L.; Maldera, S.; Menichetti, E.; Morello, C.; Mussa, R.; Navarra, G.; Tonachini, A.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Ahlers, M.] Univ Wisconsin, Madison, WI USA. [Ahn, E. J.; Escobar, C. O.; Fazzini, N.; Glass, H.; Hojvat, C.; Kasper, P.; Lebrun, P.; Mantsch, P.; Mazur, P. O.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Al Samarai, I.; Deligny, O.; Dong, P. 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[Dallier, R.; Gate, F.; Lautridou, P.; Maller, J.; Marin, V.; Martin, L.; Ravel, O.; Revenu, B.; Machado, D. Torres] Univ Nantes, CNRS, IN2P3, Ecole Mines Nantes,SUBATECH, Nantes, France. [Dallier, R.; Martin, L.] CNRS, INSU, Observ Paris, Stn Radioastron Nancay, Nancay, France. [Dasso, S.; Rovero, A. C.; Supanitsky, A. D.] UBA, CONICET, Inst Astron & Fis Espacio, Buenos Aires, DF, Argentina. [Dasso, S.; Guardincerri, Y.; Meza, J. J. Masias; Piegaia, R.; Pieroni, P.; Tiffenberg, J.] Univ Buenos Aires, FCEyN, Dept Fis, Buenos Aires, DF, Argentina. [Dasso, S.; Guardincerri, Y.; Meza, J. J. Masias; Piegaia, R.; Pieroni, P.; Tiffenberg, J.] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [de Almeida, R. M.; de Oliveira, J.] Univ Fed Fluminense, EEIMVR, Volta Redonda, RJ, Brazil. [de Jong, S. J.; Falcke, H.; Grebe, S.; Horandel, J. R.; Jansen, S.; Nelles, A.; Schoorlemmer, H.; Timmermans, C.] Nikhef, Amsterdam, Netherlands. [de Souza, V.; Prado, R. 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Monnier; Veberic, D.] Univ Paris 11, CNRS, IN2P3, LAL, F-91405 Orsay, France. [Gemmeke, H.; Kleifges, M.; Kroemer, O.; Kunka, N.; Menshikov, A.; Ruehle, C.; Schmidt, A.; Weber, M.; Zhu, Y.] Karlsruhe Inst Technol, Inst Prozessdatenverarbeitung & Elekt, D-76021 Karlsruhe, Germany. [Giller, M.; Smialkowski, A.; Szadkowski, Z.] Univ Lodz, PL-90131 Lodz, Poland. [Guedes, G. P.] Univ Estadual Feira de Santana, Feira De Santana, BA, Brazil. [Horvath, P.; Hrabovsky, M.; Nozka, L.; Rossler, T.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Isar, P. G.] Inst Space Sci, Bucharest, Romania. [Keivani, A.; Matthews, J.; Shadkam, A.; Sutherland, M. S.; Yuan, G.] Louisiana State Univ, Baton Rouge, LA 70803 USA. [La Rosa, G.; Maccarone, M. C.; Riggi, S.; Segreto, A.] Ist Astrofis Spaziale Fis Cosm Palermo, INAF, Palermo, Italy. [Lauer, R.; Matthews, A. J.] Univ New Mexico, Albuquerque, NM 87131 USA. [Leao, M. S. A. B.] Fac Independente Nordeste, Vitoria Da Conquista, Brazil. [Leigui De Oliveira, M. A.; Moura, C. A.] Univ Fed ABC, Santo Andre, SP, Brazil. [Lopez, R.; Martinez Bravo, O.; Pelayo, R.; Salazar, H.; Varela, E.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Lu, L.; Watson, A. A.] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Maurizio, D.; Shellard, R. C.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, RJ, Brazil. [Mayotte, E.; Medina, C.; Sarazin, F.; Wiencke, L.] Colorado Sch Mines, Golden, CO 80401 USA. [Micanovic, S.] Rudjer Boskovic Inst, Zagreb 10000, Croatia. [Micheletti, M. I.] UNR, CONICET, Inst Fis Rosario IFIR, Rosario, Argentina. [Micheletti, M. I.] Fac Ciencias Bioquim & Farmaceut UNR, Rosario, Argentina. [Muller, M. A.] Univ Fed Pelotas, Pelotas, RS, Brazil. [Nosek, D.; Novotny, V.] Charles Univ Prague, Fac Math & Phys, Inst Nucl & Particle Phys, Prague, Czech Republic. [Pallotta, J.; Quel, E. J.; Ristori, P.] Ctr Invest Laseres Aplicac, CITEDEF, Buenos Aires, DF, Argentina. [Pallotta, J.; Quel, E. J.; Ristori, P.] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Pastor, S.] Univ Valencia, CSIC, Inst Fis Corpuscular, Valencia, Spain. [Paul, T.; Srivastava, Y. N.; Swain, J.; Widom, A.] Northeastern Univ, Boston, MA 02115 USA. [Pepe, I. M.] Univ Fed Bahia, Salvador, BA, Brazil. [Pesce, R.; Petrolini, A.] Dipartimento Fis Univ, Genoa, Italy. [Pesce, R.; Petrolini, A.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy. [Petermann, E.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Petrera, S.] Gran Sasso Sci Inst INFN, Laquila, Italy. [Sima, O.] Univ Bucharest, Dept Phys, Bucharest, Romania. [Todero Peixoto, C. J.] Univ Sao Paulo, Escola Engn Lorena, Lorena, SP, Brazil. [Younk, P.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Aab, A (reprint author), Univ Siegen, D-57068 Siegen, Germany. RI Parente, Gonzalo/G-8264-2015; dos Santos, Eva/N-6351-2013; Alvarez-Muniz, Jaime/H-1857-2015; de souza, Vitor/D-1381-2012; Valino, Ines/J-8324-2012; Carvalho Jr., Washington/H-9855-2015; Navas, Sergio/N-4649-2014; Vazquez, Jose Ramon/K-2272-2015; Martello, Daniele/J-3131-2012; Insolia, Antonio/M-3447-2015; Petrolini, Alessandro/H-3782-2011; Lozano-Bahilo, Julio/F-4881-2016; Beatty, James/D-9310-2011; Guarino, Fausto/I-3166-2012; Colalillo, Roberta/R-5088-2016; Buscemi, Mario/R-5071-2016; Bonino, Raffaella/S-2367-2016; Rodriguez Frias, Maria /A-7608-2015; Inst. of Physics, Gleb Wataghin/A-9780-2017; De Mitri, Ivan/C-1728-2017; Mitrica, Bogdan/D-5201-2009; Rodriguez Fernandez, Gonzalo/C-1432-2014; Nosek, Dalibor/F-1129-2017; Caramete, Laurentiu/C-2328-2011; Alves Batista, Rafael/K-6642-2012; Horvath, Pavel/G-6334-2014; Sima, Octavian/C-3565-2011; Torralba Elipe, Guillermo/A-9524-2015; Di Giulio, Claudio/B-3319-2015; Chinellato, Jose Augusto/I-7972-2012; Pech, Miroslav/G-5760-2014; Bueno, Antonio/F-3875-2015; Albuquerque, Ivone/H-4645-2012; Todero Peixoto, Carlos Jose/G-3873-2012; Brogueira, Pedro/K-3868-2012; Pastor, Sergio/J-6902-2014; Tome, Bernardo/J-4410-2013; Garcia Pinto, Diego/J-6724-2014; Badescu, Alina/B-6087-2012; Rosado, Jaime/K-9109-2014; Arqueros, Fernando/K-9460-2014; Espirito Santo, Maria Catarina/L-2341-2014; Pimenta, Mario/M-1741-2013; Chinellato, Carola Dobrigkeit /F-2540-2011; Ros, German/L-4764-2014; zas, enrique/I-5556-2015; Moura Santos, Edivaldo/K-5313-2016; Gouffon, Philippe/I-4549-2012; de Almeida, Rogerio/L-4584-2016; Fauth, Anderson/F-9570-2012; De Domenico, Manlio/B-5826-2014; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016; Assis, Pedro/D-9062-2013; Blanco, Francisco/F-1131-2015; Cazon, Lorenzo/G-6921-2014; Conceicao, Ruben/L-2971-2014; Ridky, Jan/H-6184-2014; OI Parente, Gonzalo/0000-0003-2847-0461; dos Santos, Eva/0000-0002-0474-8863; Alvarez-Muniz, Jaime/0000-0002-2367-0803; Valino, Ines/0000-0001-7823-0154; Carvalho Jr., Washington/0000-0002-2328-7628; Navas, Sergio/0000-0003-1688-5758; Vazquez, Jose Ramon/0000-0001-9217-5219; Martello, Daniele/0000-0003-2046-3910; Insolia, Antonio/0000-0002-9040-1566; Petrolini, Alessandro/0000-0003-0222-7594; Lozano-Bahilo, Julio/0000-0003-0613-140X; Beatty, James/0000-0003-0481-4952; Guarino, Fausto/0000-0003-1427-9885; Colalillo, Roberta/0000-0002-4179-9352; Buscemi, Mario/0000-0003-2123-5434; Rodriguez Frias, Maria /0000-0002-2550-4462; De Mitri, Ivan/0000-0002-8665-1730; Rodriguez Fernandez, Gonzalo/0000-0002-4683-230X; Nosek, Dalibor/0000-0001-6219-200X; Alves Batista, Rafael/0000-0003-2656-064X; Horvath, Pavel/0000-0002-6710-5339; Torralba Elipe, Guillermo/0000-0001-8738-194X; Di Giulio, Claudio/0000-0002-0597-4547; Chinellato, Jose Augusto/0000-0002-3240-6270; Bueno, Antonio/0000-0002-7439-4247; Albuquerque, Ivone/0000-0001-7328-0136; Todero Peixoto, Carlos Jose/0000-0003-3669-8212; Brogueira, Pedro/0000-0001-6069-4073; Tome, Bernardo/0000-0002-7564-8392; Garcia Pinto, Diego/0000-0003-1348-6735; Rosado, Jaime/0000-0001-8208-9480; Arqueros, Fernando/0000-0002-4930-9282; Espirito Santo, Maria Catarina/0000-0003-1286-7288; Pimenta, Mario/0000-0002-2590-0908; Chinellato, Carola Dobrigkeit /0000-0002-1236-0789; Ros, German/0000-0001-6623-1483; zas, enrique/0000-0002-4430-8117; Moura Santos, Edivaldo/0000-0002-2818-8813; Gouffon, Philippe/0000-0001-7511-4115; de Almeida, Rogerio/0000-0003-3104-2724; Fauth, Anderson/0000-0001-7239-0288; De Domenico, Manlio/0000-0001-5158-8594; Assis, Pedro/0000-0001-7765-3606; Blanco, Francisco/0000-0003-4332-434X; Cazon, Lorenzo/0000-0001-6748-8395; Conceicao, Ruben/0000-0003-4945-5340; Espadanal, Joao /0000-0002-1301-8061; Ulrich, Ralf/0000-0002-2535-402X; Novotny, Vladimir/0000-0002-4319-4541; Garcia, Beatriz/0000-0003-0919-2734; Dembinski, Hans/0000-0003-3337-3850; Petrera, Sergio/0000-0002-6029-1255; Bonino, Raffaella/0000-0002-4264-1215; Rizi, Vincenzo/0000-0002-5277-6527; Marsella, Giovanni/0000-0002-3152-8874; La Rosa, Giovanni/0000-0002-3931-2269; Sarmento, Raul/0000-0002-5018-5467; Segreto, Alberto/0000-0001-7341-6603; Aglietta, Marco/0000-0001-8354-5388; Maccarone, Maria Concetta/0000-0001-8722-0361; Kothandan, Divay/0000-0001-9048-7518; Castellina, Antonella/0000-0002-0045-2467; maldera, simone/0000-0002-0698-4421; Matthews, James/0000-0002-1832-4420; Yuan, Guofeng/0000-0002-1907-8815; Aramo, Carla/0000-0002-8412-3846; Salamida, Francesco/0000-0002-9306-8447; Ridky, Jan/0000-0001-6697-1393; Ravignani, Diego/0000-0001-7410-8522; Del Peral, Luis/0000-0003-2580-5668; Coutu, Stephane/0000-0003-2923-2246 FU Comision Nacional de Energia Atomica; Fundacion Antorchas; Gobierno De La Provincia de Mendoza; Municipalidad de Malargue; NDM Holdings; Valle Las Lenas, Argentina; Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Financiadora de Estudos e Projetos (FINEP); Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ); Sao Paulo Research Foundation (FAPESP) [2010/07359-6, 1999/05404-3]; Ministerio de Ciencia e Tecnologia (MCT), Brazil; MSMT-CR [LG13007, 7AMB14AR005, CZ.1.05/2.1.00/03.0058]; Czech Science Foundation [14-17501S]; Czech Republic; Centre de Calcul [IN2P3/CNRS]; Centre National de la Recherche Scientifique (CNRS); Conseil Regional Ile-de-France; Departement Physique Nucleaire et Corpusculaire [PNC-IN2P3/CNRS]; Departement Sciences de l'Univers (SDU-INSU/CNRS); Institut Lagrange de Paris; ILP LABEX [ANR-10-LABX-63]; d'Avenir Programme [ANR-11-IDEX-0004-02]; French National Research Agency, France [ANR-2010-COSI- 002]; Bundesministerium fur Bildung und Forschung (BMBF); Deutsche Forschungsgemeinschaft (DFG); Finanzministerium Baden-Wurttemberg; Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF); Ministerium fur Wissenschaft und Forschung; Nordrhein Westfalen; Ministerium fur Wissenschaft; Forschung und Kunst; Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN); Ministero dell'Istruzione; dell'Universita e della Ricerca (MIUR); Gran Sasso Center for Astroparticle Physics (CFA); CETEMPS Center of Excellence, Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs; Cultuur en Wetenschap; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO); Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; National Centre for Research and Development [ERA-NET-ASPERA/01/11, ERA-NET-ASPERA/02/11]; National Science Centre, Poland [2013/08/M/ST9/00322, 2013/08/M/ST9/00728]; Portuguese national funds and FEDER funds within COMPETE - Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia, Portugal; Romanian Authority for Scientific Research ANCS; CNDI-UEFISCDI [20/2012, 194/2012, 1/ASPERA2/2012 ERA-NET, PN-II-RU-PD-2011-3-0145-17, PN-II-RU-PD-2011-3-0062]; Minister of National Education; Programme for research - Space Technology and Advanced Research - STAR, Romania [83/2013]; Slovenian Research Agency, Slovenia; Comunidad de Madrid; FEDER; Ministerio de Educacion y Ciencia; Xunta de Galicia; European Community 7th Framework Program, Spain [FP7-PEOPLE- 2012-IEF-328826]; Leverhulme Foundation; Science and Technology Facilities Council, United Kingdom; Department of Energy [DE-AC02-07CH11359, DE-FR02-04ER41300, DE-FG02-99ER41107]; National Science Foundation [0450696]; Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET; European Particle Physics Latin American Network; European Union 7th Framework Program [PIRSES-2009-GA-246806]; UNESCO FX The successful installation, commissioning, and operation of the Pierre Auger Observatory would not have been possible without the strong commitment and effort of the technical and administrative staff in Malargue. We are very grateful to the following agencies and organizations for financial support: Comision Nacional de Energia Atomica, Fundacion Antorchas, Gobierno De La Provincia de Mendoza, Municipalidad de Malargue, NDM Holdings, and Valle Las Lenas, in gratitude for their continuing cooperation over land access, Argentina; the Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Sao Paulo Research Foundation (FAPESP) Grants No. 2010/07359-6 and No. 1999/05404-3, Ministerio de Ciencia e Tecnologia (MCT), Brazil; MSMT-CR LG13007, 7AMB14AR005, CZ.1.05/2.1.00/03.0058, and the Czech Science Foundation Grant No. 14-17501S, Czech Republic; Centre de Calcul IN2P3/CNRS, Centre National de la Recherche Scientifique (CNRS), Conseil Regional Ile-de-France, Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), Departement Sciences de l'Univers (SDU-INSU/CNRS), Institut Lagrange de Paris, ILP LABEX ANR-10-LABX-63, within the Investissements d'Avenir Programme ANR-11-IDEX-0004-02, French National Research Agency under Grant No. ANR-2010-COSI- 002, France; Bundesministerium fur Bildung und Forschung (BMBF), Deutsche Forschungsgemeinschaft (DFG), Finanzministerium Baden-Wurttemberg, Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF), Ministerium fur Wissenschaft und Forschung, Nordrhein Westfalen, Ministerium fur Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Gran Sasso Center for Astroparticle Physics (CFA), CETEMPS Center of Excellence, Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; National Centre for Research and Development Grants No. ERA-NET-ASPERA/01/11 and No. ERA-NET-ASPERA/02/11, National Science Centre Grants No. 2013/08/M/ST9/00322 and No. 2013/08/M/ST9/00728, Poland; Portuguese national funds and FEDER funds within COMPETE - Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia, Portugal; Romanian Authority for Scientific Research ANCS, CNDI-UEFISCDI partnership projects No. 20/2012 and No. 194/2012, projects No. 1/ASPERA2/2012 ERA-NET, No. PN-II-RU-PD-2011-3-0145-17, and No. PN-II-RU-PD-2011-3-0062, the Minister of National Education, Programme for research - Space Technology and Advanced Research - STAR, project No. 83/2013, Romania; Slovenian Research Agency, Slovenia; Comunidad de Madrid, FEDER funds, Ministerio de Educacion y Ciencia, Xunta de Galicia, European Community 7th Framework Program, Grant No. FP7-PEOPLE- 2012-IEF-328826, Spain; The Leverhulme Foundation, Science and Technology Facilities Council, United Kingdom; Department of Energy Contracts No. DE-AC02-07CH11359, No. DE-FR02-04ER41300, and No. DE-FG02-99ER41107, National Science Foundation Grant No. 0450696, The Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET, European Particle Physics Latin American Network, European Union 7th Framework Program, Grant No. PIRSES-2009-GA-246806; and UNESCO. NR 39 TC 26 Z9 26 U1 1 U2 48 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 25 PY 2014 VL 90 IS 1 AR 012012 DI 10.1103/PhysRevD.90.012012 PG 15 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM5TB UT WOS:000339922100001 ER PT J AU Mastropas, EV Richards, DG AF Mastropas, Ekaterina V. Richards, David G. TI Decay constants of the pion and its excitations on the lattice SO PHYSICAL REVIEW D LA English DT Article ID QCD AB We present a calculation using lattice QCD of the ratios of decay constants of the excited states of the pion, to that of the pion ground state, at three values of the pion mass between 400 and 700 MeV, using an anisotropic clover fermion action with three flavors of quarks. We find that the decay constant of the first excitation, and more notably of the second, is suppressed with respect to that of the ground-state pion, but that the suppression shows little dependence on the quark mass. The strong suppression of the decay constant of the second excited state is consistent with its interpretation as a predominantly hybrid state. C1 [Mastropas, Ekaterina V.] Coll William & Mary, Williamsburg, VA 23187 USA. [Richards, David G.] Jefferson Lab, Newport News, VA 23606 USA. RP Mastropas, EV (reprint author), Coll William & Mary, Williamsburg, VA 23187 USA. FU U.S. Department of Energy [DE-AC05-06OR23177] FX We thank our colleagues within the Hadron Spectrum Collaboration, and in particular, Jo Dudek, Robert Edwards, Christian Shultz and Christopher Thomas. We are grateful for discussions with Zak Brown and Hannes L. L. Roberts, who was involved at an earlier stage of this work. We would also like to thank Stephan Durr for useful comments. Chroma [39] was used to perform this work on clusters at Jefferson Laboratory under the USQCD Initiative and the LQCD ARRA project. We acknowledge support from U.S. Department of Energy Contract No. DE-AC05-06OR23177, under which Jefferson Science Associates, LLC, manages and operates Jefferson Laboratory. NR 38 TC 8 Z9 8 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 25 PY 2014 VL 90 IS 1 AR 014511 DI 10.1103/PhysRevD.90.014511 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM5TB UT WOS:000339922100005 ER PT J AU Comolli, LR Banfield, JF AF Comolli, Luis R. Banfield, Jill F. TI Inter-species interconnections in acid mine drainage microbial communities SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE Cryo-TEM; Intact natural microbes; Archaea; Microbial inter-species connections; Metagenomics; Thermoplasmatales; ARMAN ID PEARLS-LIKE MORPHOLOGY; CRYOELECTRON TOMOGRAPHY; NANOARCHAEUM-EQUITANS; IGNICOCCUS-HOSPITALIS; NATURAL COMMUNITIES; ARCHAEA; BACTERIA; RECONSTRUCTION; ENVIRONMENT; METABOLISM AB Metagenomic studies are revolutionizing our understanding of microbes in the biosphere. They have uncovered numerous proteins of unknown function in tens of essentially unstudied lineages that lack cultivated representatives. Notably, few of these microorganisms have been visualized, and even fewer have been described ultra-structurally in their essentially intact, physiologically relevant states. Here, we present cryogenic transmission electron microscope (cryo-TEM) 2D images and 3D tomographic datasets for archaeal species from natural acid mine drainage (AMD) microbial communities. Ultrastructural findings indicate the importance of microbial interconnectedness via a range of mechanisms, including direct cytoplasmic bridges and pervasive pili. The data also suggest a variety of biological structures associated with cell-cell interfaces that lack explanation. Some may play roles in inter-species interactions. lnterdependences amongst the archaea may have confounded prior isolation efforts. Overall, the findings underline knowledge gaps related to archaeal cell components and highlight the likely importance of co-evolution in shaping microbial lineages. C1 [Comolli, Luis R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Struct Biol & Imaging Dept, Div Life Sci, Berkeley, CA 94720 USA. [Banfield, Jill F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Comolli, LR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Struct Biol & Imaging Dept, Div Life Sci, 1 Donner,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM lrcomolli@lbl.gov; jbanfield@berkeley.edu FU Office of Science, Office of Basic Energy Sciences, Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231]; Laboratory Directed Research and Development - University of California, Lawrence Berkeley National Laboratory; US Department of Energy's Office of Science, Biological and Environmental Research Program (DOE Genomics: GTL project) [DE-FG02-05ER64134]; National Aeronautics and Space Administration Astrobiology Institute FX This work was performed at Lawrence Berkeley National Laboratory, with support from the Office of Science, Office of Basic Energy Sciences, Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This work was funded by Laboratory Directed Research and Development support from the University of California, Lawrence Berkeley National Laboratory and by the US Department of Energy's Office of Science, Biological and Environmental Research Program (DOE Genomics: GTL project Grant DE-FG02-05ER64134), the National Aeronautics and Space Administration Astrobiology Institute, The sequencing was provided through the Community Sequencing Program at the Department of Energy Joint Genome Institute. NR 39 TC 13 Z9 13 U1 4 U2 68 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 25 PY 2014 VL 5 AR 367 DI 10.3389/fmicb.2014.00367 PG 8 WC Microbiology SC Microbiology GA AL8YY UT WOS:000339427000001 PM 25120533 ER PT J AU Sammond, DW Yarbrough, JM Mansfield, E Bomble, YJ Hobdey, SE Decker, SR Taylor, LE Resch, MG Bozell, JJ Himmel, ME Vinzant, TB Crowley, MF AF Sammond, Deanne W. Yarbrough, John M. Mansfield, Elisabeth Bomble, Yannick J. Hobdey, Sarah E. Decker, Stephen R. Taylor, Larry E. Resch, Michael G. Bozell, Joseph J. Himmel, Michael E. Vinzant, Todd B. Crowley, Michael F. TI Predicting Enzyme Adsorption to Lignin Films by Calculating Enzyme Surface Hydrophobicity SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID CARBOHYDRATE-BINDING MODULES; TRICHODERMA-REESEI; CRYSTAL-STRUCTURE; ACIDOTHERMUS-CELLULOLYTICUS; THERMOMYCES-LANUGINOSUS; CELLOBIOHYDROLASE-I; CATALYTIC CORE; PROTEIN; HYDROLYSIS; CELLULOSE AB The inhibitory action of lignin on cellulase cocktails is a major challenge to the biological saccharification of plant cell wall polysaccharides. Although the mechanism remains unclear, hydrophobic interactions between enzymes and lignin are hypothesized to drive adsorption. Here we evaluate the role of hydrophobic interactions in enzyme-lignin binding. The hydrophobicity of the enzyme surface was quantified using an estimation of the clustering of nonpolar atoms, identifying potential interaction sites. The adsorption of enzymes to lignin surfaces, measured using the quartz crystal microbalance, correlates to the hydrophobic cluster scores. Further, these results suggest a minimum hydrophobic cluster size for a protein to preferentially adsorb to lignin. The impact of electrostatic contribution was ruled out by comparing the isoelectric point (pI) values to the adsorption of proteins to lignin surfaces. These results demonstrate the ability to predict enzyme-lignin adsorption and could potentially be used to design improved cellulase cocktails, thus lowering the overall cost of biofuel production. C1 [Sammond, Deanne W.; Yarbrough, John M.; Bomble, Yannick J.; Hobdey, Sarah E.; Decker, Stephen R.; Taylor, Larry E.; Resch, Michael G.; Himmel, Michael E.; Vinzant, Todd B.; Crowley, Michael F.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Resch, Michael G.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Mansfield, Elisabeth] NIST, Appl Chem & Mat Div, Boulder, CO 80305 USA. [Bozell, Joseph J.] Univ Tennessee, Ctr Renewable Carbon, Ctr Catalyt Convers Biomass C3Bio, Knoxville, TN 37917 USA. RP Crowley, MF (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 16253 Denver West Pkwy, Golden, CO 80401 USA. EM Michael.Crowley@nrel.gov FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory; Department of Energy Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office; Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000997] FX This work was supported by the U.S. Department of Energy under Contract DE-AC36-08GO28308 with the National Renewable Energy Laboratory and by the Department of Energy Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. This work was also supported by the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0000997. NR 53 TC 25 Z9 25 U1 6 U2 64 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 EI 1083-351X J9 J BIOL CHEM JI J. Biol. Chem. PD JUL 25 PY 2014 VL 289 IS 30 BP 20960 EP 20969 DI 10.1074/jbc.M114.573642 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AL8NS UT WOS:000339396600049 PM 24876380 ER PT J AU Ewald, M Tetard, L Elie-Caille, C Nicod, L Passian, A Bourillot, E Lesniewska, E AF Ewald, M. Tetard, L. Elie-Caille, C. Nicod, L. Passian, A. Bourillot, E. Lesniewska, E. TI From surface to intracellular non-invasive nanoscale study of living cells impairments SO NANOTECHNOLOGY LA English DT Article DE mode-synthesizing atomic force microscopy; subsurface imaging; living cells; nanoscale resolution; keratinocytes; non-invasive; glyphosate ID ATOMIC-FORCE MICROSCOPY; TAPPING-MODE; LIVE CELLS; HOLOGRAPHY; CANCER; HACAT; LINE AB Among the enduring challenges in nanoscience, subsurface characterization of living cells holds major stakes. Developments in nanometrology for soft matter thriving on the sensitivity and high resolution benefits of atomic force microscopy have enabled detection of subsurface structures at the nanoscale. However, measurements in liquid environments remain complex, in particular in the subsurface domain. Here we introduce liquid-mode synthesizing atomic force microscopy (I-MSAFM) to study both the inner structures and the chemically induced intracellular impairments of living cells. Specifically, we visualize the intracellular stress effects of glyphosate on living keratinocytes skin cells. This new approach, I-MSAFM, for nanoscale imaging of living cell in their physiological environment or in presence of a chemical stress agent could resolve the loss of inner structures induced by glyphosate, the main component of a well-known pesticide (RoundUp (TM)). This firsthand ability to monitor the cell's inner response to external stimuli nondestructively and in liquid, has the potential to unveil critical nanoscale mechanisms of life science. C1 [Ewald, M.; Bourillot, E.; Lesniewska, E.] Univ Bourgogne, ICB UMR CNRS 6303, Dijon, France. [Ewald, M.] Univ Reims, LRN EA4682, Reims 2, France. [Tetard, L.] Univ Cent Florida, Nanosci Technol Ctr, Orlando, FL 32816 USA. [Tetard, L.; Passian, A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Elie-Caille, C.] Univ Franche Comte, Inst FEMTO ST UMR CNRS 6174, F-25030 Besancon, France. [Nicod, L.] Univ Franche Comte, LBC EA4268, F-25030 Besancon, France. RP Ewald, M (reprint author), Univ Bourgogne, ICB UMR CNRS 6303, Dijon, France. EM maxime.ewald@univ-reims.fr RI Lesniewska, Eric/B-6523-2015 OI Lesniewska, Eric/0000-0002-8027-7223 FU Labex ACTION project; ORNL's; UT-Battelle, LLC, for the US Department of Energy [DE-AC05-00OR22725] FX This work has been supported by the Labex ACTION project. Dr. Laurene Tetard would like to acknowledge partial support from ORNL's. Research performed as a Eugene P Wigner Fellow and staff member at the Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under Contract DE-AC05-00OR22725. Other authors report no other relationships or activities that could appear to have influenced the submitted work. NR 34 TC 4 Z9 4 U1 1 U2 34 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 EI 1361-6528 J9 NANOTECHNOLOGY JI Nanotechnology PD JUL 25 PY 2014 VL 25 IS 29 AR 295101 DI 10.1088/0957-4484/25/29/295101 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AK8ZA UT WOS:000338716100001 PM 24981178 ER PT J AU Singh, SS Schwartzstein, C Williams, JJ Xiao, XH De Carlo, F Chawla, N AF Singh, Sudhanshu S. Schwartzstein, Cary Williams, Jason J. Xiao, Xianghui De Carlo, Francesco Chawla, Nikhilesh TI 3D microstructural characterization and mechanical properties of constituent particles in Al 7075 alloys using X-ray synchrotron tomography and nanoindentation SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Multiphase intermetallics; Mechanical properties; Microstructure; X-ray tomography; Nanoindentation ID STRESS-CORROSION CRACKING; MATRIX COMPOSITES; ALUMINUM-ALLOY; MICROTOMOGRAPHY; POROSITY; VISUALIZATION; DEFORMATION; DAMAGE; AA7075-T651; TEMPERATURE AB Inclusions (constituent particles) in Al 7075 alloys can be classified as Fe-bearing and Si-bearing inclusions. They play important roles in the deformation behavior, particular under fatigue loading. Thus, in order to understand the deformation behavior under fatigue loading of Al 7075 alloys, it is important to investigate the size and distribution of these inclusions and porosity in the material, along with their mechanical properties. X-ray synchrotron tomography was used to obtain the 3D microstructure of these microconstituents in Al 7075 alloy. Quantitative analysis in terms of volume, size, and morphology of inclusions and porosity was performed. The mechanical properties of these constituent particles along with the matrix were obtained using nanoindentation. Scanning electron microscopy (SEM) and EDS was used to analyze the indentations after testing. The Young's modulus and hardness of all inclusions were higher than the matrix. The Young's modulus values of Al7Cu2Fe, Al23Fe4Cu, and Mg2Si were measured to be 160.2 +/- 10.9, 139.5 +/- 3.7, and 94.8 +/- 7.5 GPa respectively. Values of hardness of Al7Cu2Fe, Al23Fe4Cu, and Mg2Si were 8.8 +/- 0.9, 7.5 +/- 0.8, and 5.2 +/- 0.5 GPa respectively. Comparison of these values with nanoindentation data in the literature was also conducted. (C) 2014 Elsevier B.V. All rights reserved. C1 [Singh, Sudhanshu S.; Schwartzstein, Cary; Williams, Jason J.; Chawla, Nikhilesh] Arizona State Univ, Tempe, AZ 85287 USA. [Xiao, Xianghui; De Carlo, Francesco] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chawla, N (reprint author), Arizona State Univ, Tempe, AZ 85287 USA. EM nchawla@asu.edu OI Singh, Sudhanshu Shekhar/0000-0002-8681-6558 FU Office of Naval Research (ONR) [N00014-10-1-0350] FX The authors are grateful for financial support from the Office of Naval Research (ONR) under Contract No. N00014-10-1-0350 (Dr. A.K. Vasudevan, Program Manager). The authors are thankful to Huxiao Xie, Carl Mayer, Antony Kirubanandham at Arizona State University and Phillip Agee at Agilent Technologies, Chandler, Arizona, for helpful discussions on nanoindentation. NR 46 TC 19 Z9 19 U1 6 U2 78 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD JUL 25 PY 2014 VL 602 BP 163 EP 174 DI 10.1016/j.jallcom.2014.03.010 PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA AF1ZK UT WOS:000334512200025 ER PT J AU Piovesan, P Hanson, JM Martin, P Navratil, GA Turco, F Bialek, J Ferraro, NM La Haye, RJ Lanctot, MJ Okabayashi, M Paz-Soldan, C Strait, EJ Turnbull, AD Zanca, P Baruzzo, M Bolzonella, T Hyatt, AW Jackson, GL Marrelli, L Piron, L Shiraki, D AF Piovesan, P. Hanson, J. M. Martin, P. Navratil, G. A. Turco, F. Bialek, J. Ferraro, N. M. La Haye, R. J. Lanctot, M. J. Okabayashi, M. Paz-Soldan, C. Strait, E. J. Turnbull, A. D. Zanca, P. Baruzzo, M. Bolzonella, T. Hyatt, A. W. Jackson, G. L. Marrelli, L. Piron, L. Shiraki, D. TI Tokamak Operation with Safety Factor q(95) < 2 via Control of MHD Stability SO PHYSICAL REVIEW LETTERS LA English DT Article ID ENERGY CONFINEMENT; DIII-D; DISRUPTIONS; PLASMAS; BETA; JET AB Magnetic feedback control of the resistive-wall mode has enabled the DIII-D tokamak to access stable operation at safety factor q(95) = 1.9 in divertor plasmas for 150 instability growth times. Magneto-hydrodynamic stability sets a hard, disruptive limit on the minimum edge safety factor achievable in a tokamak, or on the maximum plasma current at a given toroidal magnetic field. In tokamaks with a divertor, the limit occurs at q(95) = 2, as confirmed in DIII-D. Since the energy confinement time scales linearly with current, this also bounds the performance of a fusion reactor. DIII-D has overcome this limit, opening a whole new high-current regime not accessible before. This result brings significant possible benefits in terms of fusion performance, but it also extends resistive-wall mode physics and its control to conditions never explored before. In present experiments, the q(95) < 2 operation is eventually halted by voltage limits reached in the feedback power supplies, not by intrinsic physics issues. Improvements to power supplies and to control algorithms have the potential to further extend this regime. C1 [Piovesan, P.; Martin, P.; Zanca, P.; Baruzzo, M.; Bolzonella, T.; Marrelli, L.; Piron, L.] Consorzio RFX, I-35127 Padua, Italy. [Hanson, J. M.; Navratil, G. A.; Turco, F.; Bialek, J.; Shiraki, D.] Columbia Univ, New York, NY 10027 USA. [Ferraro, N. M.; La Haye, R. J.; Lanctot, M. J.; Strait, E. J.; Turnbull, A. D.; Hyatt, A. W.; Jackson, G. L.] Gen Atom Co, San Diego, CA 92186 USA. [Okabayashi, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Paz-Soldan, C.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Piovesan, P (reprint author), Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy. EM paolo.piovesan@igi.cnr.it RI Marrelli, Lionello/G-4451-2013; Lanctot, Matthew J/O-4979-2016 OI Marrelli, Lionello/0000-0001-5370-080X; Lanctot, Matthew J/0000-0002-7396-3372 FU U.S. Department of Energy [DE-FG02-04ER54761, DE-FC02-04ER54698, DE-AC02-09CH11466, DE-AC05-06OR23100]; European Communities under the contract of association between EURATOM/ENEA FX This work was supported by the U.S. Department of Energy under Grants No. DE-FG02-04ER54761, No. DE-FC02-04ER54698, No. DE-AC02-09CH11466, and No. DE-AC05-06OR23100. as well as by the European Communities under the contract of association between EURATOM/ENEA. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 26 TC 10 Z9 10 U1 0 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 24 PY 2014 VL 113 IS 4 AR UNSP 045003 DI 10.1103/PhysRevLett.113.045003 PG 5 WC Physics, Multidisciplinary SC Physics GA AT2ZW UT WOS:000344804500002 PM 25105626 ER PT J AU Singh, S Haraldsen, JT Xiong, J Choi, EM Lu, P Yi, D Wen, XD Liu, J Wang, H Bi, Z Yu, P Fitzsimmons, MR MacManus-Driscoll, JL Ramesh, R Balatsky, AV Zhu, JX Jia, QX AF Singh, Surendra Haraldsen, J. T. Xiong, J. Choi, E. M. Lu, P. Yi, D. Wen, X. -D. Liu, J. Wang, H. Bi, Z. Yu, P. Fitzsimmons, M. R. MacManus-Driscoll, J. L. Ramesh, R. Balatsky, A. V. Zhu, Jian-Xin Jia, Q. X. TI Induced Magnetization in La0.7Sr0.3MnO3/BiFeO3 Superlattices SO PHYSICAL REVIEW LETTERS LA English DT Article ID INTERFACES; OXIDES; FILMS AB Using polarized neutron reflectometry, we observe an induced magnetization of 75 +/- 25 kA/m at 10 K in a La0.7Sr0.3MnO3 (LSMO)/BiFeO3 superlattice extending from the interface through several atomic layers of the BiFeO3 (BFO). The induced magnetization in BFO is explained by density functional theory, where the size of band gap of BFO plays an important role. Considering a classical exchange field between the LSMO and BFO layers, we further show that magnetization is expected to extend throughout the BFO, which provides a theoretical explanation for the results of the neutron scattering experiment. C1 [Singh, Surendra; Haraldsen, J. T.; Xiong, J.; Wen, X. -D.; Bi, Z.; Fitzsimmons, M. R.; Balatsky, A. V.; Zhu, Jian-Xin; Jia, Q. X.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Singh, Surendra] Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India. [Haraldsen, J. T.] James Madison Univ, Dept Phys & Astron, Harrisonburg, VA 22807 USA. [Xiong, J.] Univ Elect Sci & Technol China, State Key Lab Elect Thin Films & Integrated Devic, Chengdu 610051, Peoples R China. [Choi, E. M.; MacManus-Driscoll, J. L.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. [Lu, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Yi, D.; Liu, J.; Yu, P.; Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. RP Jia, QX (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM qxjia@lanl.gov RI Singh, Surendra/E-5351-2011; Wang, Haiyan/P-3550-2014; Yu, Pu/F-1594-2014; Liu, Jian/I-6746-2013; Haraldsen, Jason/B-9809-2012 OI Singh, Surendra/0000-0001-5482-9744; Wang, Haiyan/0000-0002-7397-1209; Liu, Jian/0000-0001-7962-2547; Haraldsen, Jason/0000-0002-8641-5412 FU LANL/LDRD program; Center for Integrated Nanotechnologies (CINT) at Los Alamos National Laboratory; Department of Energy's Office of Basic Energy Sciences; Sandia National Laboratories; United Stated Department of Energy's National Security Administration [DE-AC04 94AL85000]; U.S. National Science Foundation [DMR-0846504, DMR-1401266]; ERC [NOVOX ERC-2009-adG247276, EPSRC] FX This work was supported by the LANL/LDRD program and the Center for Integrated Nanotechnologies (CINT) at Los Alamos National Laboratory. This work has benefited from the use of the Lujan Neutron Scattering Center, which is funded by the Department of Energy's Office of Basic Energy Sciences. P. L. acknowledges support from Sandia National Laboratories, a multi-program laboratory managed and operated by Sandia Corporation, a Lockheed Martin Company, for the United Stated Department of Energy's National Security Administration under contract No. DE-AC04 94AL85000. H. W. acknowledges the funding support from the U.S. National Science Foundation (DMR-0846504 and DMR-1401266). J.L.M-D. acknowledges the ERC Advanced Investigator Grants No. NOVOX ERC-2009-adG247276, and No. EPSRC. S. Singh, J. T. Haraldsen, and J. Xiong contributed equally to this work. NR 27 TC 14 Z9 14 U1 8 U2 138 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 24 PY 2014 VL 113 IS 4 AR 047204 DI 10.1103/PhysRevLett.113.047204 PG 5 WC Physics, Multidisciplinary SC Physics GA AT2ZW UT WOS:000344804500005 PM 25105651 ER PT J AU Beck, DAC McTaggart, TL Setboonsarng, U Vorobev, A Kalyuzhnaya, MG Ivanova, N Goodwin, L Woyke, T Lidstrom, ME Chistoserdova, L AF Beck, David A. C. McTaggart, Tami L. Setboonsarng, Usanisa Vorobev, Alexey Kalyuzhnaya, Marina G. Ivanova, Natalia Goodwin, Lynne Woyke, Tanja Lidstrom, Mary E. Chistoserdova, Ludmila TI The Expanded Diversity of Methylophilaceae from Lake Washington through Cultivation and Genomic Sequencing of Novel Ecotypes SO PLOS ONE LA English DT Article ID FRESH-WATER LAKE; METHYLOBACILLUS-FLAGELLATUS; METHYLOTENERA-MOBILIS; METHANOL METABOLISM; C1 COMPOUNDS; SP-NOV.; METHYLOTROPHY; INSIGHTS; BETAPROTEOBACTERIA; DENITRIFICATION AB We describe five novel Methylophilaceae ecotypes from a single ecological niche in Lake Washington, USA, and compare them to three previously described ecotypes, in terms of their phenotype and genome sequence divergence. Two of the ecotypes appear to represent novel genera within the Methylophilaceae. Genome-based metabolic reconstruction highlights metabolic versatility of Methylophilaceae with respect to methylotrophy and nitrogen metabolism, different ecotypes possessing different combinations of primary substrate oxidation systems (MxaFI-type methanol dehydrogenase versus XoxF-type methanol dehydrogenase; methylamine dehydrogenase versus N-methylglutamate pathway) and different potentials for denitrification (assimilatory versus respiratory nitrate reduction). By comparing pairs of closely related genomes, we uncover that site-specific recombination is the main means of genomic evolution and strain divergence, including lateral transfers of genes from both closely- and distantly related taxa. The new ecotypes and the new genomes contribute significantly to our understanding of the extent of genomic and metabolic diversity among organisms of the same family inhabiting the same ecological niche. These organisms also provide novel experimental models for studying the complexity and the function of the microbial communities active in methylotrophy. C1 [Beck, David A. C.; McTaggart, Tami L.; Setboonsarng, Usanisa; Vorobev, Alexey; Lidstrom, Mary E.; Chistoserdova, Ludmila] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. [Kalyuzhnaya, Marina G.; Lidstrom, Mary E.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Beck, David A. C.] Univ Washington, eSci Inst, Seattle, WA 98195 USA. [Ivanova, Natalia; Woyke, Tanja] DOE Joint Genome Inst, Walnut Creek, CA USA. [Goodwin, Lynne] Los Alamos Natl Lab, Los Alamos, NM USA. RP Chistoserdova, L (reprint author), Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. EM milachis@u.washington.edu OI Kalyuzhnaya, Marina/0000-0002-9058-7794; Ivanova, Natalia/0000-0002-5802-9485 FU National Science foundation [MCB-0950183]; Department of Energy [DE-SC0010556]; University of Washington eScience Institute; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was funded by the grants from the National Science foundation (MCB-0950183) and the Department of Energy (DE-SC0010556) and was facilitated through the use of advanced computational storage and networking infrastructure provided by the Hyak supercomputer system supported in part by the University of Washington eScience Institute. The work conducted by the U. S. Department of Energy Joint Genome Institute was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 44 TC 20 Z9 20 U1 5 U2 25 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 24 PY 2014 VL 9 IS 7 AR e102458 DI 10.1371/journal.pone.0102458 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AO5BG UT WOS:000341354800021 PM 25058595 ER PT J AU Marsh, SE Poulsen, M Pinto-Tomas, A Currie, CR AF Marsh, Sarah E. Poulsen, Michael Pinto-Tomas, Adrian Currie, Cameron R. TI Interaction between Workers during a Short Time Window Is Required for Bacterial Symbiont Transmission in Acromyrmex Leaf-Cutting Ants SO PLOS ONE LA English DT Article ID FUNGUS-GROWING ANTS; ACTINOMYCETE BACTERIA; MUTUALISTIC BACTERIUM; PSEUDONOCARDIA; ASSOCIATION; SPECIFICITY; GARDENS; COEVOLUTION; COMMUNITIES; EVOLUTION AB Stable associations between partners over time are critical for the evolution of mutualism. Hosts employ a variety of mechanisms to maintain specificity with bacterial associates. Acromyrmex leaf-cutting ants farm a fungal cultivar as their primary nutrient source. These ants also carry a Pseudonocardia Actinobacteria exosymbiont on their bodies that produces antifungal compounds that help inhibit specialized parasites of the ants' fungal garden. Major workers emerge from their pupal cases (eclose) symbiont-free, but exhibit visible Actinobacterial coverage within 14 days post-eclosion. Using subcolony experiments, we investigate exosymbiont transmission within Acromyrmex colonies. We found successful transmission to newly eclosed major workers fostered by major workers with visible Actinobacteria in all cases (100% acquiring, n = 19). In contrast, newly eclosed major workers reared without exosymbiont-carrying major workers did not acquire visible Actinobacteria (0% acquiring, n = 73). We further show that the majority of ants exposed to major workers with exosymbionts within 2 hours of eclosion acquired bacteria (60.7% acquiring, n = 28), while normal acquisition did not occur when exposure occurred later than 2 hours post-eclosion (0% acquiring, n = 18). Our findings show that transmission of exosymbionts to newly eclosed major workers occurs through interactions with exosymbiont-covered workers within a narrow time window after eclosion. This mode of transmission likely helps ensure the defensive function within colonies, as well as specificity and partner fidelity in the ant-bacterium association. C1 [Marsh, Sarah E.; Poulsen, Michael; Currie, Cameron R.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Pinto-Tomas, Adrian] Univ Costa Rica, Fac Med, Dept Bioquim, San Jose, Costa Rica. [Pinto-Tomas, Adrian] Univ Costa Rica, Ctr Invest Estruct Microscop, San Jose, Costa Rica. [Currie, Cameron R.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, US Dept Energy, Madison, WI USA. RP Currie, CR (reprint author), Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. EM currie@bact.wisc.edu RI Poulsen, Michael/C-6276-2012 OI Poulsen, Michael/0000-0002-2839-1715 FU National Science Foundation [DEB-747002]; Lundbeckfonden; Vilas Research Travel Award FX This work was supported by National Science Foundation CAREER Award DEB-747002 to CRC, and Lundbeckfonden to MP, and a Vilas Research Travel Award to SEM. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 41 TC 7 Z9 7 U1 1 U2 23 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 24 PY 2014 VL 9 IS 7 AR e103269 DI 10.1371/journal.pone.0103269 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AO5BG UT WOS:000341354800075 PM 25058579 ER PT J AU Berlin, A Gratia, P Hooper, D McDermott, SD AF Berlin, Asher Gratia, Pierre Hooper, Dan McDermott, Samuel D. TI Hidden sector dark matter models for the Galactic Center gamma-ray excess SO PHYSICAL REVIEW D LA English DT Article ID EMISSION; FERMI AB The gamma-ray excess observed from the Galactic Center can be interpreted as dark matter particles annihilating into standard model fermions with a cross section near that expected for a thermal relic. Although many particle physics models have been shown to be able to account for this signal, the fact that this particle has not yet been observed in direct detection experiments somewhat restricts the nature of its interactions. One way to suppress the dark matter's elastic scattering cross section with nuclei is to consider models in which the dark matter is part of a hidden sector. In such models, the dark matter can annihilate into other hidden sector particles, which then decay into standard model fermions through a small degree of mixing with the photon, Z, or Higgs bosons. After discussing the gamma-ray signal from hidden sector dark matter in general terms, we consider two concrete realizations: a hidden photon model in which the dark matter annihilates into a pair of vector gauge bosons that decay through kinetic mixing with the photon, and a scenario within the generalized next-to-minimal supersymmetric standard model in which the dark matter is a singlino-like neutralino that annihilates into a pair of singlet Higgs bosons, which decay through their mixing with the Higgs bosons of the minimal supersymmetric standard model. C1 [Berlin, Asher; Gratia, Pierre] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Hooper, Dan; McDermott, Samuel D.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [McDermott, Samuel D.] Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. RP Berlin, A (reprint author), Univ Chicago, Dept Phys, Chicago, IL 60637 USA. FU Kavli Institute for Cosmological Physics at the University of Chicago [NSF PHY-1125897]; National Research Fund Luxembourg [BFR08-024]; Fermilab Fellowship in Theoretical Physics; U.S. Department of Energy; Fermi Research Alliance, LLC [DE-AC02-07CH11359]; Department of Energy FX We would like to thank Matt Buckley, Jong-Chul Park, Tracy Slatyer and Kathryn Zurek for helpful discussions. D. H. is supported by the Department of Energy. A. B. is supported by the Kavli Institute for Cosmological Physics at the University of Chicago through Grant No. NSF PHY-1125897. P. G. is supported by the National Research Fund Luxembourg through Grant No. BFR08-024. SDM is supported by the Fermilab Fellowship in Theoretical Physics. Fermilab is operated by Fermi Research Alliance, LLC, under Contract No. DE-AC02-07CH11359 with the U.S. Department of Energy. NR 76 TC 60 Z9 60 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 24 PY 2014 VL 90 IS 1 AR 015032 DI 10.1103/PhysRevD.90.015032 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AO3UO UT WOS:000341261900012 ER PT J AU Chen, CR Low, I AF Chen, Chuan-Ren Low, Ian TI Double take on new physics in double Higgs boson production SO PHYSICAL REVIEW D LA English DT Article ID PAIR PRODUCTION; TOP-QUARK; LHC; MASS; EVENTS; DECAY AB Gluon-initiated double Higgs production is the most important channel to extract the Higgs self-coupling at hadron colliders. However, new physics could enter into this channel in several distinctive ways including, but not limited to, the Higgs self-coupling, a modified top Yukawa coupling, and an anomalous Higgs-top quartic coupling. In this work we initiate a study on the interplay of these effects in the kinematic distributions of the Higgs bosons. More specifically, we divide the p(T) and the total invariant mass spectra into two bins and use the differential rates in each bin to constrain the magnitude of the aforementioned effects. Significantly improved results could be obtained over those using the total cross section alone. However, some degeneracy remains, especially in the determination of the Higgs trilinear coupling. Therefore, an accurate measurement of the Higgs self-coupling in this channel would require precise knowledge of the magnitudes of other new physics effects. We base our analysis on a future pp collider at root s = 100 TeV. C1 [Chen, Chuan-Ren] Natl Taiwan Normal Univ, Dept Phys, Taipei 116, Taiwan. [Low, Ian] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Low, Ian] Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA. RP Chen, CR (reprint author), Natl Taiwan Normal Univ, Dept Phys, Taipei 116, Taiwan. FU National Science Council of R.O.C [NSC 102-2112-M-003-001-MY3]; U.S. Department of Energy [DE-AC02-06CH11357, DE-SC0010143] FX The work of C.-R.C. is supported in part by the National Science Council of R.O.C. under Grants No. NSC 102-2112-M-003-001-MY3. I.L. is supported in part by the U.S. Department of Energy under Contracts No. DE-AC02-06CH11357 and No. DE-SC0010143. I.L. would like to acknowledge the hospitality at Centro de Ciencias de Benasque Pedro Pascual, where part of this work was performed. NR 54 TC 26 Z9 26 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 24 PY 2014 VL 90 IS 1 AR 013018 DI 10.1103/PhysRevD.90.013018 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AO3UO UT WOS:000341261900002 ER PT J AU Pearson, R Sherwin, B Lewis, A AF Pearson, Ruth Sherwin, Blake Lewis, Antony TI CMB lensing reconstruction using cut sky polarization maps and pure B modes SO PHYSICAL REVIEW D LA English DT Article AB Detailed measurements of the CMB lensing signal are an important scientific goal of ongoing ground-based CMB polarization experiments, which are mapping the CMB at high resolution over small patches of the sky. In this work we simulate CMB polarization lensing reconstruction for the EE and EB quadratic estimators with current-generation noise levels and resolution, and show that without boundary effects the known and expected zeroth and first order N-(0) and N-(1) biases provide an adequate model for nonsignal contributions to the lensing power spectrum estimators. Small sky areas present a number of additional challenges for polarization lensing reconstruction, including leakage of E modes into B modes. We show how simple windowed estimators using filtered pure B modes can greatly reduce the mask-induced mean-field lensing signal and reduce variance in the estimators. This provides a simple method (used with recent observations) that gives an alternative to more optimal but expensive inverse-variance filtering. C1 [Pearson, Ruth; Lewis, Antony] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Pearson, Ruth] Kavli Inst Particle Astrophys & Cosmol, SLAC, Menlo Pk, CA 94025 USA. [Sherwin, Blake] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Sherwin, Blake] Univ Calif Berkeley, Miller Inst Basic Res Sci, Berkeley, CA 94720 USA. RP Pearson, R (reprint author), Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. FU Science and Technology Facilities Council; Miller Research Fellowship at Berkeley; Charlotte Elizabeth Procter Honorific Fellowship at Princeton; Science and Technology Facilities Council [ST/I000976/1] FX R. P. thanks Professor Kuo at Stanford for initiating this work and hosting her while this work was carried out. R. P. also acknowledges Wei-Hsiang Teng for providing an initial code framework, as well as the Science and Technology Facilities Council for support. B. D. S. thanks Chang Feng, Oliver Zahn and Alex van Engelen for discussions, and acknowledges support from a Miller Research Fellowship at Berkeley and a Charlotte Elizabeth Procter Honorific Fellowship at Princeton. A. L. acknowledges support from the Science and Technology Facilities Council Grant No. ST/I000976/1. NR 28 TC 4 Z9 4 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 24 PY 2014 VL 90 IS 2 AR 023539 DI 10.1103/PhysRevD.90.023539 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AO3UR UT WOS:000341262300002 ER PT J AU Stasto, AM Xiao, BW Yuan, F Zaslavsky, D AF Stasto, Anna M. Xiao, Bo-Wen Yuan, Feng Zaslavsky, David TI Matching collinear and small x factorization calculations for inclusive hadron production in pA collisions SO PHYSICAL REVIEW D LA English DT Article ID COLOR GLASS CONDENSATE; RENORMALIZATION-GROUP; PB COLLISIONS; LHC; EQUATION; REGION AB We construct a theoretical framework to match the formulas for forward inclusive hadron productions in pA collisions in the small x saturation formalism and collinear factorization. The small x calculation can be viewed as a power series in Q(s)(2)/k(perpendicular to)(2), in which the collinear factorization result corresponds to the leading term. At high transverse momentum, the subleading correction terms are insignificant, whereas at low p perpendicular to, the power corrections become important and the small x resummation is essential to describe the differential cross section. We show that the familiar collinear factorization calculation can smoothly match the results from small x factorization at next-to-leading order in alpha(s) when we use exact kinematics, as opposed to the approximate kinematics in previous work. With this matching, we can describe the experimental data from the RHIC very well at high p perpendicular to. C1 [Stasto, Anna M.; Zaslavsky, David] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Stasto, Anna M.] Polish Acad Sci, Inst Nucl Phys, Krakow, Poland. [Xiao, Bo-Wen] Cent China Normal Univ, Key Lab Quark & Lepton Phys, MOE, Wuhan 430079, Peoples R China. [Xiao, Bo-Wen] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Yuan, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Zaslavsky, D (reprint author), Penn State Univ, Dept Phys, University Pk, PA 16802 USA. EM david.zaslavsky@mailaps.org OI Zaslavsky, David/0000-0002-6404-2205 FU U.S. Department of Energy [DE-AC02-05CH11231]; DOE OJI [DE - SC0002145]; Polish NCN [DEC-2011/01/B/ST2/03915] FX We thank G. Beuf, G. Chirilli, Y. Kovchegov, A. Mueller, J. W. Qiu, and W. Vogelsang for discussions and comments. This work was supported in part by the U.S. Department of Energy under the Contract No. DE-AC02-05CH11231 and DOE OJI Grant No. DE - SC0002145, and by the Polish NCN Grant No. DEC-2011/01/B/ST2/03915. NR 34 TC 8 Z9 8 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 24 PY 2014 VL 90 IS 1 AR 014047 DI 10.1103/PhysRevD.90.014047 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AO3UO UT WOS:000341261900006 ER PT J AU Kim, JH Kang, HK Woo, SG Jeong, G Park, MS Kim, KJ Yu, JS Yim, T Jo, YN Kim, H Zhu, K Kim, YJ AF Kim, Jae-Hun Kang, Hee-Kook Woo, Sang-Gil Jeong, Goojin Park, Min-Sik Kim, Ki Jae Yu, Ji-Sang Yim, Taeeun Jo, Yong Nam Kim, Hansu Zhu, Kai Kim, Young-Jun TI Oriented TiO2 nanotubes as a lithium metal storage medium SO JOURNAL OF ELECTROANALYTICAL CHEMISTRY LA English DT Article DE Titanium oxide; Nanotube; Lithium metal electrode; Lithium secondary battery; Lithium storage ID BATTERIES; TITANIUM; ARRAYS; CELLS; ANODE AB A new strategy for suppressing dendritic lithium growth in rechargeable lithium metal batteries is introduced, in which TiO2 nanotube (NT) array electrodes prepared by anodization are used as a metallic lithium storage medium. During the first charge process, lithium ions are inserted into the crystal structure of the TiO2 NT arrays, and then, lithium metal is deposited on the surfaces of the NT arrays, i.e., in the NT pores and between NT walls. From the second cycle onward, the TiO2 material is used as lithium ion pathways, which results in the effective current distribution for lithium deposition and prevents disintegration of the deposited metallic lithium. Compared to a Li(Cu foil)-LiCoO2 cell, the Li(TiO2 NT)-LiCoO2 cell exhibits enhanced cycling efficiency. This new concept will enable other 3D structured negative active materials to be used as lithium metal storage media for lithium metal batteries. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kim, Jae-Hun] Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. [Kang, Hee-Kook; Woo, Sang-Gil; Jeong, Goojin; Park, Min-Sik; Kim, Ki Jae; Yu, Ji-Sang; Yim, Taeeun; Jo, Yong Nam; Kim, Young-Jun] Korea Elect Technol Inst, Adv Batteries Res Ctr, Songnam 463816, Gyeonggi, South Korea. [Kim, Hansu] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. [Zhu, Kai] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. RP Kim, JH (reprint author), Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. EM jaehunkim@kookmin.ac.kr; gjeong@keti.re.kr; yjkim@keti.re.kr RI Kim, Hansu/F-5909-2013; OI Kim, Hansu/0000-0001-9658-1687; Kim, Jae-Hun/0000-0002-4252-2590 FU Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Education [2009-0093814] FX This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2009-0093814). NR 19 TC 3 Z9 3 U1 2 U2 43 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1572-6657 EI 1873-2569 J9 J ELECTROANAL CHEM JI J. Electroanal. Chem. PD JUL 24 PY 2014 VL 726 BP 51 EP 54 DI 10.1016/j.jelechem.2014.05.004 PG 4 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA AM7BE UT WOS:000340018900008 ER PT J AU Yu, HG AF Yu, Hua-Gen TI Origin of Anomalous Electronic Circular Dichroism Spectrum of RuPt2(tppz)(2)Cl-2(PF6)(4) in Acetonitrile SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID GAUSSIAN-BASIS SETS; MOLECULES; DENSITY; METAL AB We report a theoretical study of the structures, energetics, and electronic spectra of the Pt-II/Ru-II mixed-metal complex RuPt2(tppz)(2)Cl-2(PF6)(4) (tppz = 2,3,5,6-tetra(2-pyridyl)-pyrazine) in acetonitrile. The hybrid B3LYP density functional theory and its TDDFT methods were used with a complete basis set (CBS) extrapolation scheme and a conductor polarizable continuum model (C-PCM) for solvation effects. Results showed that the trinuclear complex has four types of stable conformers and/or enantiomers. They are separated by high barriers owing to the repulsive H/H geometrical constraints in tppz. A strong entropy effect was found for the dissociation of RuPt2(tppz)(2)Cl-2(PF6). in acetonitrile. The UV-visible and emission spectra of the complex were also simulated. They are in good agreement with experiments. In this work we have largely focused on exploring the origin of anomalous electronic circular dichroism (ECD) spectra of the RuPt2(tppz)(2)Cl-2(PF6)(4) complex in acetonitrile. As a result, a new mechanism has been proposed together with a clear illustration by using a physical model. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM hgy@bnl.gov RI Yu, Hua-Gen/N-7339-2015 FU Brookhaven National Laboratory [DE-AC02-98CH10886]; U.S. Department of Energy; Division of Chemical Sciences, Office of Basic Energy Sciences FX The author would like to thank Drs. Sheng-Liang Zhao and Gregory E. Hall for fruitful discussions. This work was performed at the Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Office of Basic Energy Sciences, and also used the resource at NERSC. NR 23 TC 0 Z9 1 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 24 PY 2014 VL 118 IS 29 BP 5400 EP 5406 DI 10.1021/jp502957z PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AM0MU UT WOS:000339540500005 PM 25026322 ER PT J AU van Stipdonk, MJ Basu, P Dille, SA Gibson, JK Berden, G Oomens, J AF van Stipdonk, Michael J. Basu, Partha Dille, Sara A. Gibson, John K. Berden, Giel Oomens, Jos TI Infrared Multiple Photon Dissociation Spectroscopy of a Gas-Phase Oxo-Molybdenum Complex with 1,2-Dithiolene Ligands SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID METAL CATION SIZE; PHOTOELECTRON-SPECTROSCOPY; ELECTRONIC-STRUCTURE; IRMPD SPECTROSCOPY; VIBRATIONAL SPECTROSCOPY; ACTIVE-SITE; ELECTROSPRAY-IONIZATION; COORDINATION-COMPLEXES; ZWITTERION STABILITY; SULFITE OXIDASE AB Electrospray ionization (ESI) in the negative ion mode was used to create anionic, gas-phase oxo-molybdenum complexes with dithiolene ligands. By varying ESI and ion transfer conditions, both doubly and singly charged forms of the complex, with identical formulas, could be observed. Collision-induced dissociation (CID) of the dianion generated exclusively the monoanion, while fragmentation of the monoanion involved decomposition of the dithiolene ligands. The intrinsic structure of the monoanion and the dianion were determined by using wavelength-selective infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The IRMPD spectrum for the dianion exhibits absorptions that can be assigned to (ligand) C=C, C-S, C-C N, and Mo=O stretches. Comparison of the IRMPD spectrum to spectra predicted for various possible conformations allows assignment of a pseudo square pyramidal structure with C-2 nu, symmetry, equatorial coordination of MoO2+ by the S atoms of the dithiolene ligands, and a singlet spin state. A single absorption was observed for the oxidized complex. When the same scaling factor employed for the dianion is used oxidized version, theoretical spectra suggest that the absorption is the Mo=O stretch for a distorted square pyramidal structure and doublet spin state. A predicted change in conformation upon oxidation of the dianion is consistent with a proposed bonding scheme for the bent-metallocene dithiolene compounds [Lauher, J. W.; Hoffmann, R. J. Am. Chem. Soc. 1976, 98, 1729-1742], where a large folding of the dithiolene moiety along the S center dot center dot center dot S vector is dependent on the occupancy of the in-plane metal d-orbital. C1 [van Stipdonk, Michael J.; Basu, Partha; Dille, Sara A.] Duquesne Univ, Dept Chem & Biochem, Pittsburgh, PA 15282 USA. [Gibson, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Berden, Giel; Oomens, Jos] Radboud Univ Nijmegen, Inst Mol & Mat, FELIX Facil, NL-6525 ED Nijmegen, Netherlands. [Oomens, Jos] Univ Amsterdam, vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands. RP van Stipdonk, MJ (reprint author), Duquesne Univ, Dept Chem & Biochem, 600 Forbes Ave, Pittsburgh, PA 15282 USA. EM vanstipdonkm@duq.edu; basu@duq.edu RI Berden, Giel/F-9690-2015; Oomens, Jos/F-9691-2015 FU Duquesne University; Bayer School of Natural and Environmental Sciences; National Science Foundation [CHE-0963450]; National Institutes of Health [GM 061555]; U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry at LBNL [DE-AC02-05CH11231]; Netherlands Organisation for Scientific Research (NWO) for Vici [724.011.002]; Stichting Physica; National High Field FT-ICR Facility at the National High Magnetic Field Laboratory, Tallahassee, FL [CHE-9909502] FX M.J.V. acknowledges support for this work in the form of startup funding from Duquesne University and the Bayer School of Natural and Environmental Sciences, and the National Science Foundation (CHE-0963450). P.B. acknowledges the National Institutes of Health (GM 061555) for partial support of this research. The work of J.K.G. was fully supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry, at LBNL under Contract No. DE-AC02-05CH11231. J.O. acknowledges The Netherlands Organisation for Scientific Research (NWO) for Vici-Grant 724.011.002 and the Stichting Physica. Construction and shipping of the FT-ICR-MS was made possible through funding from the National High Field FT-ICR Facility (Grant CHE-9909502) at the National High Magnetic Field Laboratory, Tallahassee, FL. The excellent support by Dr. B. Redlich and others of the FELIX staff is gratefully acknowledged. NR 89 TC 6 Z9 6 U1 0 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 24 PY 2014 VL 118 IS 29 BP 5407 EP 5418 DI 10.1021/jp503222v PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AM0MU UT WOS:000339540500006 PM 24988369 ER PT J AU Srinivasan, SG Goldman, N Tamblyn, I Hamel, S Gaus, M AF Srinivasan, Sriram Goverapet Goldman, Nir Tamblyn, Isaac Hamel, Sebastien Gaus, Michael TI A Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Hydrogen under Extreme Thermodynamic Conditions SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID COMPRESSED LIQUID DEUTERIUM; EQUATION-OF-STATE; MOLECULAR-DYNAMICS SIMULATION; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; TEMPERATURE; PRESSURES; HUGONIOT; CARBON; FLUID AB We present a new DFTB-p3b density functional tight binding model for hydrogen at extremely high pressures and temperatures, which includes a polarizable basis set (p) and a three-body environmentally dependent repulsive potential (3b). We find that use of an extended basis set is necessary under dissociated liquid conditions to account for the substantial p-orbital character of the electronic states around the Fermi energy. The repulsive energy is determined through comparison to cold curve pressures computed from density functional theory (DFT) for the hexagonal close-packed solid, as well as pressures from thermally equilibrated DFT-MD simulations of the liquid phase. In particular, we observe improved agreement in our DFTB-p3b model with previous theoretical and experimental results for the shock Hugoniot of hydrogen up to 100 GPa and 25000 K, compared to a standard DFTB model using pairwise interactions and an s-orbital basis set, only. The DFTB-p3b approach discussed here provides a general method to extend the DFTB method for a wide variety of materials over a significantly larger range of thermodynamic conditions than previously possible. C1 [Srinivasan, Sriram Goverapet] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Goldman, Nir; Hamel, Sebastien] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Tamblyn, Isaac] Univ Western Ontario, Inst Technol, Oshawa, ON L1H7K4, Canada. [Gaus, Michael] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. RP Goldman, N (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM goldman14@llnl.gov RI Goverapet Srinivasan, Sriram/L-9681-2016; OI Goverapet Srinivasan, Sriram/0000-0003-3984-1547; Tamblyn, Isaac/0000-0002-8146-6667 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development [12-ERD-052] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was funded by Laboratory Directed Research and Development Grant 12-ERD-052 with N.G. as principle investigator. Computations were performed at LLNL using the Aztec and RZCereal massively parallel computers. NR 81 TC 7 Z9 7 U1 4 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 24 PY 2014 VL 118 IS 29 BP 5520 EP 5528 DI 10.1021/jp5036713 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AM0MU UT WOS:000339540500017 PM 24960065 ER PT J AU Bhattacharjee, U Beck, C Winter, A Wells, C Petrich, JW AF Bhattacharjee, Ujjal Beck, Christie Winter, Arthur Wells, Carson Petrich, Jacob W. TI Tryptophan and ATTO 590: Mutual Fluorescence Quenching and Exciplex Formation SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ORGANIC-DYES; AQUEOUS-SOLUTION; INDOLE; FLUOROPHORES; SPECTROSCOPY; DYNAMICS; BEHAVIOR; DENSITY AB Investigation of fluorescence quenching of probes, such as ATTO dyes, is becoming an increasingly important topic owing to the use of these dyes in super-resolution microscopies and in single-molecule studies. Photoinduced electron transfer is their most important nonradiative pathway. Because of the increasing frequency of the use of ATTO and related dyes to investigate biological systems, studies are presented for inter- and intramolecular quenching of ATTO 590 with tryptophan. In order to examine intramolecular quenching, an ATTO 590 tryptophan conjugate was synthesized. It was determined that tryptophan is efficiently quenching ATTO 590 fluorescence by excited-state charge transfer and two charge transfer complexes are forming. In addition, it was discovered that an exciplex (whose lifetime is 5.6 ns) can be formed between tryptophan and ATTO 590, and it is suggested that the possibility of such exciplex formation should be taken into account when protein fluorescence is monitored in a system tagged with ATTO dyes. C1 [Bhattacharjee, Ujjal; Beck, Christie; Winter, Arthur; Petrich, Jacob W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Bhattacharjee, Ujjal; Petrich, Jacob W.] US DOE, Ames Lab, Ames, IA 50011 USA. RP Petrich, JW (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RI Petrich, Jacob/L-1005-2015 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Ames Laboratory [DE-AC02-07CH11358]; Petroleum Research Fund [PRF 51435-DNI4]; Cottrell Scholar Award from the Research Corporation for Scientific Advancement FX Studies involving steady-state and time-resolved optical spectroscopy were supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Ames Laboratory under contract DE-AC02-07CH11358. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University. Synthetic and computational studies were supported by the Petroleum Research Fund (PRF 51435-DNI4) and the Cottrell Scholar Award to Professor A. Winter from the Research Corporation for Scientific Advancement. NR 22 TC 6 Z9 6 U1 4 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 24 PY 2014 VL 118 IS 29 BP 8471 EP 8477 DI 10.1021/jp412045m PG 7 WC Chemistry, Physical SC Chemistry GA AM0MV UT WOS:000339540600002 PM 24927396 ER PT J AU Smith, DMA Rosso, KM AF Smith, Dayle M. A. Rosso, Kevin M. TI Possible Dynamically Gated Conductance along Heme Wires in Bacterial Multiheme Cytochromes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID BIOLOGICAL ELECTRON-TRANSFER; MOLECULAR-DYNAMICS; SIMULATION; REDUCTION; MTRF; C(3); FLOW AB The staggered cross decaheme configuration of electron transfer cofactors in the outer-membrane cytochrome MtrF serves as a prototype for conformationally gated multiheme electron transport. Derived from the bacterium Shewanella oneidensis, the staggered cross configuration reveals intersecting c-type octaheme and tetraheme "wires" containing thermodynamic "hills" and "valleys" (Proc. Natl. Acad. Sci. U. S. A. 2014, 11, 611-616), suggesting that the protein structure may include a dynamical mechanism for conductance and pathway switching depending on enzymatic functional need. Here, we applied classical molecular and statistical mechanics calculations of large-amplitude protein dynamics in MtrF, to address its potential to modulate pathway conductance, including assessment of the effect of the total charge state. Explicit solvent molecular dynamics simulations of fully oxidized and fully reduced MtrF showed that the slowest mode of collective decaheme motion is 9096 similar between the oxidized and reduced states and consists primarily of interheme separation with minor rotational contributions. The frequency of this motion is 1.7 x 10(7) s(-1) both for fully oxidized and fully reduced MtrF, slower than the downhill electron transfer rates between stacked heme pairs at the octaheme termini and faster than the electron transfer rates between parallel hemes in the tetraheme chain. This implies that MtrF uses slow conformational fluctuations to modulate electron flow along the octaheme pathway, apparently for the purpose of increasing the residence time of electrons on lowest potential hemes 4 and 9. This apparent gating mechanism should increase the success rate of electron transfer from MtrF to low potential environmental acceptors via these two solvent-exposed hemes. C1 [Smith, Dayle M. A.; Rosso, Kevin M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Smith, DMA (reprint author), Pacific NW Natl Lab, POB 999,MSIN J4-33, Richland, WA 99352 USA. FU U.S. Department of Energy's Subsurface Biogeochemistry Research Science Focus Area (SBR-SFA) program at PNNL through the Office of Biological and Environmental Research (OBER); OBER FX This research was supported by the U.S. Department of Energy's Subsurface Biogeochemistry Research Science Focus Area (SBR-SFA) program at PNNL through the Office of Biological and Environmental Research (OBER). The computations were carried out using the supercomputing facility at EMSL, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory. We gratefully acknowledge helpful discussions with Simone Raugei and Marian Breuer for improvements to this study. NR 24 TC 0 Z9 0 U1 0 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 24 PY 2014 VL 118 IS 29 BP 8505 EP 8512 DI 10.1021/jp502803y PG 8 WC Chemistry, Physical SC Chemistry GA AM0MV UT WOS:000339540600006 PM 24975678 ER PT J AU Moritsugu, K Kidera, A Smith, JC AF Moritsugu, Kei Kidera, Akinori Smith, Jeremy C. TI Solvent Friction Effects Propagate over the Entire Protein Molecule through Low-Frequency Collective Modes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PARTICLE MESH EWALD; IMPLICIT SOLVENT; DYNAMICS SIMULATIONS; LANGEVIN; TEMPERATURE; MOTIONS; WATER; DEPENDENCE; SOLVATION; SYSTEMS AB Protein solvation dynamics has been investigated using atom-dependent Langevin friction coefficients derived directly from molecular dynamics (MD) simulations. To determine the effect of solvation on the atomic friction coefficients, solution and vacuum MD simulations were performed for lysozyme and staphylococcal nuclease and analyzed by Langevin mode analysis. The coefficients thus derived are roughly correlated with the atomic solvent-accessible surface area (ASA), as expected from the fact that friction occurs as the result of collisions with solvent molecules. However, a considerable number of atoms with higher friction coefficients are found inside the core region. Hence, the influence of solvent friction propagates into the protein core. The internal coefficients have large contributions from the low-frequency modes, yielding a simple picture of the surface-to-core long-range damping via solvation governed by collective low-frequency modes. To make use of these findings in implicit-solvent modeling, we compare the all-atom friction results with those obtained using Langevin dynamics (LD) with two empirical representations: the constant-friction and the ASA-dependent (Pastor-Karplus) friction models. The constant-friction model overestimates the core and underestimates the surface damping whereas the ASA-dependent friction model, which damps protein atoms only on the solvent-accessible surface, reproduces well the friction coefficients for both the surface and core regions observed in the explicit-solvent MD simulations. Therefore, in LD simulation, the solvent friction coefficients should be imposed only on the protein surface. C1 [Moritsugu, Kei; Kidera, Akinori] Yokohama City Univ, Grad Sch Med Life Sci, Tsurumi Ku, Yokohama, Kanagawa 2300045, Japan. [Smith, Jeremy C.] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA. RP Moritsugu, K (reprint author), Yokohama City Univ, Grad Sch Med Life Sci, Tsurumi Ku, 1-7-29 Suehiro Cho, Yokohama, Kanagawa 2300045, Japan. EM moritugu@tsurumi.yokohama-cu.ac.jp RI smith, jeremy/B-7287-2012 OI smith, jeremy/0000-0002-2978-3227 FU MEXT grand challenge program using next-generation supercomputing; MEXT [25840060, 23247027]; U.S. Department of Energy via a Laboratory-Directed Research and Development grant FX K.M. and A.K. acknowledge support by the MEXT grand challenge program using next-generation supercomputing. K.M. was supported by MEXT Grant-in-Aid for Young Scientists, 25840060, and A.K. by MEXT, Grant-in-Aid for Scientific Research, 23247027. J.C.S. acknowledges funds from the U.S. Department of Energy via a Laboratory-Directed Research and Development grant. The computations were partly performed on the RIKEN Integrated Cluster of Clusters (RICC). NR 35 TC 2 Z9 2 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 24 PY 2014 VL 118 IS 29 BP 8559 EP 8565 DI 10.1021/jp503956m PG 7 WC Chemistry, Physical SC Chemistry GA AM0MV UT WOS:000339540600012 PM 24999844 ER PT J AU Ting, CL Frischknecht, AL Stevens, MJ Spoerke, ED AF Ting, Christina L. Frischknecht, Amalie L. Stevens, Mark J. Spoerke, Erik D. TI Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SELECTIVE SOLVENTS; NANOSTRUCTURES; MICELLES; PROTEIN; COPOLYMERS; NANOTUBES; SCAFFOLDS; POLYMER AB Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore have important implications for the design and utility of functional materials based on peptides. C1 [Ting, Christina L.; Frischknecht, Amalie L.; Stevens, Mark J.; Spoerke, Erik D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Frischknecht, Amalie L.; Stevens, Mark J.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Ting, CL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM clting@sandia.gov RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 FU Harry S. Truman Fellowship in National Security Science and Engineering; Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC0203010]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX C.L.T. and A.L.F. were supported by the Harry S. Truman Fellowship in National Security Science and Engineering and the Laboratory Directed Research and Development program. M.J.S. and E.D.S. were supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC0203010. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 35 TC 4 Z9 4 U1 2 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 24 PY 2014 VL 118 IS 29 BP 8624 EP 8630 DI 10.1021/jp503414p PG 7 WC Chemistry, Physical SC Chemistry GA AM0MV UT WOS:000339540600019 PM 24945080 ER PT J AU Ding, H Lin, H Sadigh, B Zhou, F Ozolins, V Asta, M AF Ding, Hong Lin, Hao Sadigh, Babak Zhou, Fei Ozolins, Vidvuds Asta, Mark TI Computational Investigation of Electron Small Polarons in alpha-MoO3 SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; MOLYBDENUM TRIOXIDE; MOO3 NANOBELTS; BASIS-SET; TRANSITION; TRANSPORT; METALS; OXIDE AB The properties of electron small polarons in alpha-MoO3 are investigated computationally employing density-functional-theory with Hubbard-U corrections (DFT+U) and hybrid functionals (HSE06). These methods are used to compute the electronic and atomic structures of polarons localized on Mo ions, the barrier for adiabatic polaron hopping, and the magnitude of the binding energy with intercalated Li ions. The calculations establish a pronounced anisotropy in polaron mobilities, both within the bilayer sheets and across the van der Waals (vdW) gaps characteristic of the alpha-MoO3 structure. The lowest and highest energy barriers are found for hopping within the same bilayer plane and across the vdW gap, respectively. The binding energies between polarons and intercalated Li ions are calculated in supercells with composition Li-0.028 MoO3, yielding values of approximately 0.3 eV when Li ions are located in the one-dimensional channels within the bilayer sheets, and values that are approximately 0.1 eV lower in magnitude when Li resides in the two-dimensional interlayer van der Waals gaps. C1 [Lin, Hao; Ozolins, Vidvuds] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Sadigh, Babak; Zhou, Fei] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Ding, Hong; Asta, Mark] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Asta, M (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM mdasta@berkeley.edu RI Zhou, Fei/D-1938-2010 OI Zhou, Fei/0000-0001-9659-4648 FU Molecularly Engineered Energy Materials (MEEM), an Energy Frontier Research Center - U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DE-SC0001342]; U.S. DOE by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Science of the U.S. DOE [DE-AC02-05CH11231] FX The work of V.O., H.L., and M.A., as well as most computational work by H.D., was supported as part of the Molecularly Engineered Energy Materials (MEEM), an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001342. The work of B.S. and F.Z., and the initial work of H.D. related to the HSE06 calculations, was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231. NR 54 TC 13 Z9 13 U1 5 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 15565 EP 15572 DI 10.1021/jp503065x PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700003 ER PT J AU Coughlin, JE Zhugayevych, A Bakus, RC van der Poll, TS Welch, GC Teat, SJ Bazan, GC Tretiak, S AF Coughlin, Jessica E. Zhugayevych, Andriy Bakus, Ronald C., II van der Poll, Thomas S. Welch, Gregory C. Teat, Simon J. Bazan, Guillermo C. Tretiak, Sergei TI A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ORGANIC SOLAR-CELLS; CONJUGATED POLYMERS; BUILDING-BLOCKS; RATIONAL DESIGN; PHOTOVOLTAICS; PERFORMANCE; ACCEPTOR; CHROMOPHORES; FABRICATION; COPOLYMERS AB Structural modules used for assembling molecular semiconductors have typically been chosen to give desirable optical and electronic properties. Growing evidence shows that chemical functionalities should be considered for controlling molecular shape, which is important for function because of its influence on polymer secondary structure, lattice arrangements in crystals, and crystallization tendencies. Using density functional theory (DFT) calculations, followed by a natural bond orbital (NBO) analysis, we examine eight molecular semiconductors with resolved single crystal X-ray structures to understand the features that dominate molecular conformations and ultimately develop practical rules that govern these preferences. All molecules can be described by a D'-A-D-A- D' architecture and have a 4,4-dimethyl-4H-silolo[3,2-b:4,5-b']dithiophene (DTS) donor (D) core unit, with [1,2,5]thiadiazolo[3,4-c]pyridine (PT), 5-fluorobenzo[c][1,2,5]thiadiazole (FBT), or benzo[1,2,5]thiadiazole (BT) electron acceptor (A) units, and either thiophene, 5-hexyl-2,2'-bithiophene, or benzofuran electron-donating end-caps (D'). The NBO analysis shows that the energy difference between the two alternative conformations, or rotamers, (Delta E-rot) is a delicate balance of multiple competing nonbonding interactions that are distributed among many atoms. These interactions include attractive "donor-acceptor" electron sharing, steric repulsion, and electrostatic stabilization or destabilization. A proper grouping of these interactions reveals two primary factors determining Delta E-rot,.The first concerns heteroatoms adjacent to the bonds connecting the structural units, wherein the asymmetric distribution of pi-electron density across the link joining the units results in stabilization of one of two rotamers. The second factor arises from electrostatic interactions between close-contact atoms, which may also shift the Delta E-rot, of the two rotamers. When all these constituent interactions cooperate, the dihedral angle is "locked" in a planar conformation with a negligible population of alternative rotamers. C1 [Coughlin, Jessica E.; Bakus, Ronald C., II; van der Poll, Thomas S.; Welch, Gregory C.; Bazan, Guillermo C.] Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. [Coughlin, Jessica E.; Bakus, Ronald C., II; van der Poll, Thomas S.; Welch, Gregory C.; Bazan, Guillermo C.] Univ Calif Santa Barbara, Dept Mat, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. [Coughlin, Jessica E.; Zhugayevych, Andriy; van der Poll, Thomas S.; Tretiak, Sergei] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Bazan, GC (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. EM bazan@chem.ucsb.edu; serg@lanl.gov RI Tretiak, Sergei/B-5556-2009; Bazan, Guillermo/B-7625-2014 OI Tretiak, Sergei/0000-0001-5547-3647; FU Center for Energy Efficient Materials (CEEM), an Energy Frontier Research Center - U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES) [DE-DC0001009]; Los Alamos Laboratory Directed Research and Development program; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge support for the synthesis of the materials and calculation efforts by the Center for Energy Efficient Materials (CEEM), an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES) (DE-DC0001009). We also acknowledge support of the Los Alamos Laboratory Directed Research and Development program. Los Alamos National Laboratory (LANL) is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 55 TC 20 Z9 20 U1 7 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 15610 EP 15623 DI 10.1021/jp506172a PG 14 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700008 ER PT J AU Xu, F Mudiyanselage, K Baber, AE Soldemo, M Weissenrieder, J White, MG Stacchiola, DJ AF Xu, Fang Mudiyanselage, Kumudu Baber, Ashleigh E. Soldemo, Markus Weissenrieder, Jonas White, Michael G. Stacchiola, Dario J. TI Redox-Mediated Reconstruction of Copper during Carbon Monoxide Oxidation SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; RAY PHOTOELECTRON-SPECTROSCOPY; INFRARED REFLECTION-ABSORPTION; GAS SHIFT REACTION; CO OXIDATION; PREFERENTIAL OXIDATION; AMBIENT-PRESSURE; IN-SITU; CATALYTIC-OXIDATION; METAL-CATALYSTS AB Copper has excellent initial activity for the oxidation of CO, yet it rapidly deactivates under reaction conditions. In an effort to obtain a full picture of the dynamic morphological and chemical changes occurring on the surface of catalysts under CO oxidation conditions, a complementary set of in situ ambient pressure (AP) techniques that include scanning tunneling microscopy, infrared reflection absorption spectroscopy (IRRAS), and X-ray photoelectron spectroscopy were conducted. Herein, we report in situ AP CO oxidation experiments over Cu(111) model catalysts at room temperature. Depending on the CO:O-2 ratio, Cu presents different oxidation states, leading to the coexistence of several phases. During CO oxidation, a redox cycle is observed on the substrate's surface, in which Cu atoms are oxidized and pulled from terraces and step edges and then are reduced and rejoin nearby step edges. IRRAS results confirm the presence of under-coordinated Cu atoms during the reaction. By using control experiments to isolate individual phases, it is shown that the rate for CO oxidation decreases systematically as metallic copper is fully oxidized. C1 [Xu, Fang; Mudiyanselage, Kumudu; Baber, Ashleigh E.; White, Michael G.; Stacchiola, Dario J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Xu, Fang; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Mudiyanselage, Kumudu] BMCC CUNY, Dept Sci, New York, NY 10007 USA. [Soldemo, Markus; Weissenrieder, Jonas] KTH Royal Inst Technol, S-16440 Stockholm, Sweden. RP Stacchiola, DJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM djs@bnl.gov RI Stacchiola, Dario/B-1918-2009; Mudiyanselage, Kumudu/B-2277-2013; OI Stacchiola, Dario/0000-0001-5494-3205; Mudiyanselage, Kumudu/0000-0002-3539-632X; Weissenrieder, Jonas/0000-0003-1631-4293; Xu, Fang/0000-0002-8166-0275 FU U.S. Department of Energy [DE-AC02-98CH10886]; Swedish research council (VR) FX We thank the U.S. Department of Energy for financial support under contract No. DE-AC02-98CH10886. The Swedish research council (VR) is acknowledged for their financial support and the MAX-lab staff for its support during beamtimes. NR 63 TC 14 Z9 14 U1 7 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 15902 EP 15909 DI 10.1021/jp5050496 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700038 ER PT J AU Sylvester, SO Cole, JM Waddell, PG Nowell, H Wilson, C AF Sylvester, Sven O. Cole, Jacqueline M. Waddell, Paul G. Nowell, Harriott Wilson, Claire TI SO2 Phototriggered Crystalline Nanomechanical Transduction of Aromatic Rotors in Tosylates: Rationalization via Photocrystallography of [Ru(NH3)(4)SO2X]tosylate(2) (X = pyridine, 3-Cl-pyridine, 4-Cl-pyridine) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METASTABLE LINKAGE ISOMERS; SULFUR-DIOXIDE COMPLEXES; SINGLE-CRYSTAL; DIFFRACTION; IDENTIFICATION; PHOTOISOMERS AB Thermally reversible solid-state linkage SO2 photoisomers of three complexes in the [Ru(NH3)(4)SO2X]tosylate(2) family are captured in their metastable states using photocrystallography, where X = pyridine (1), 3-Cl-pyridine (2), and 4-Cl-pyridine (3). This photoisomerism exists only in the single-crystal form; accordingly, the nature of the crystalline environment surrounding the photoactive species controls its properties. In particular, the structural role of the tosylate anion needs to be understood against possible chemical influences due to varying the trans ligand, X. The photoexcited geometries, photoconversion levels, and thermal stabilities of the photoisomers that form in 1-3 are therefore studied. 1 and 2 yield two photoisomers at 100 K: the O-bound end-on eta(1)-SO2 (MS1) configuration and the side-bound eta(2)-SO2 (MS2); 3 exhibits only the more thermally stable MS2 geometry. The decay kinetics of the MS2 geometry for 1-3 demonstrate that the greater the free volume of the GS SO2 ligand for a given counterion, the greater the MS2 thermal stability. Furthermore, a rationalization is sought for the SO2 phototriggered molecular rotation of the phenyl ring in the tosylate anion; this is selectively observed in 2, manifesting as nanomechanical molecular transduction. This molecular transduction was not observed in 1, despite the presence of the MS1 geometry due to the close intermolecular interactions between the MS1 SO2 and the neighboring tosylate ion. The decay of this anionic molecular rotor in 2, however, follows a nontraditional decay pathway, as determined by time-resolved crystallographic analysis; this contrasts with the well-behaved first-order kinetic decay of its MS1 SO2 phototrigger. C1 [Sylvester, Sven O.; Cole, Jacqueline M.; Waddell, Paul G.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Cole, Jacqueline M.] Argonne Natl Lab, Argonne, IL 60439 USA. [Nowell, Harriott; Wilson, Claire] Diamond Light Source, Didcot OX11 0DE, Oxon, England. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England. EM jmc61@cam.ac.uk RI Waddell, Paul/C-7059-2011; Cole, Jacqueline/C-5991-2008; Sylvester, Sven/E-2545-2011 FU Cambridge Commonwealth Trust; Fulbright Commission; DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX S.O.S. thanks the Cambridge Commonwealth Trust for a Ph.D. scholarship. J.M.C. is indebted to the Fulbright Commission for a UK-US Fulbright Award hosted by Argonne National Laboratory, where work done was supported by DOE Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. We acknowledge Diamond Light Source for the time on beamline I19 under proposal MT8804. NR 24 TC 4 Z9 4 U1 1 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 16003 EP 16010 DI 10.1021/jp503711h PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700050 ER PT J AU Zhai, DY Ning, LX Huang, YC Liu, GK AF Zhai, Dengyun Ning, Lixin Huang, Yucheng Liu, Guokui TI Ce-O Covalence in Silicate Oxyapatites and Its Influence on Luminescence Dynamics SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RARE-EARTH IONS; ORBIT-LATTICE RELAXATION; CHARGE-TRANSFER; ENERGY-TRANSFER; VIBRONIC TRANSITIONS; EMITTING PHOSPHORS; CRYSTALS; EFFICIENCY; COMPLEXES; STATES AB Cerium substituting gadolinium in Ca2Gd8(SiO4)(6)O-2 occupies two intrinsic sites of distinct coordination. The coexistence of an ionic bonding at a 4F site and an ionic-covalent mixed bonding at a 6H site in the same crystalline compound provides an ideal system for comparative studies of ion-ligand interactions. Experimentally, the spectroscopic properties and photoluminescence dynamics of this white-phosphor are investigated. An anomalous thermal quenching of the photoluminescence of Ce3+ at the 6H site is analyzed. Theoretically, ab initio calculations are conducted to reveal the distinctive properties of the Ce-O coordination at the two Ce3+ sites. The calculated eigenstates of Ce3+ at the 6H site suggest a weak Ce-O covalent bond formed between Ce3+ and one of the coordinated oxygen ions not bonded with Si4+. The electronic energy levels and frequencies of local vibrational modes are correlated with specific Ce-O pairs to provide a comparative understanding of the site-resolved experimental results. On the basis of the calculated results, we propose a model of charge transfer and vibronic coupling for interpretation of the anomalous thermal quenching of the Ce3+ luminescence. The combination of experimental and theoretical studies in the present work provides a comprehensive understanding of the spectroscopy and luminescence dynamics of Ce3+ in crystals of ionic covalent coordination. C1 [Zhai, Dengyun; Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Ning, Lixin; Huang, Yucheng] Anhui Normal Univ, Dept Phys, Ctr Nano Sci & Technol, Wuhu 241000, Anhui, Peoples R China. RP Liu, GK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gkliu@anl.gov OI Huang, Yucheng/0000-0002-7818-8811 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357]; National Science Foundation of China [11174005] FX Work performed at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under contract DE-AC02-06CH11357. We thank Prof. C. K. Duan for help with the ab initio computations. L.N. acknowledges the financial support from the National Science Foundation of China (Grant 11174005). NR 43 TC 13 Z9 13 U1 3 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 16051 EP 16059 DI 10.1021/jp5049293 PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700056 ER PT J AU Zhang, J Toentino, J Smith, ER Zhang, JB Beard, MC Nozik, AJ Law, M Johnson, JC AF Zhang, Jing Tolentino, Jason Smith, E. Ryan Zhang, Jianbing Beard, Matthew C. Nozik, Arthur J. Law, Matt Johnson, Justin C. TI Carrier Transport in PbS and PbSe QD Films Measured by Photoluminescence Quenching SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID QUANTUM-DOT SOLIDS; SEMICONDUCTOR NANOCRYSTALS; CHARGE-TRANSPORT; ELECTRONIC-STRUCTURE; AIR EXPOSURE; SOLAR-CELLS; SIZE; PHOTOCONDUCTIVITY; NANOPARTICLES; LUMINESCENCE AB The temperature-dependent quantum yield of photoluminescence (PL) has been measured in films of various sizes of PbS and PbSe quantum dots (QDs) capped with alkanedithiol ligands with lengths varying from 4 to 20 A. We demonstrate that PL within QD films can provide information about transport in a regime that is relevant to solar photoconversion. The ligand-length dependent PL quenching reveals behavior similar to that of ligand-length dependent carrier mobility. determined from field-effect transistor (FET) measurements in the dark. The data are described by a model in which band tail luminescence is quenched upon thermal activation by charge separation and hopping followed by nonradiative recombination. We extract the tunneling parameter beta and find values of 1.1 +/- 0.2 angstrom(-1) except for a value of 0.7 for the smallest QD sample. Changes in the transport mechanism may be due to unique surface faceting or QD-ligand coupling that occurs in small QDs. Furthermore, we compare all-organic capped PbS QD films with those infilled by Al2O3, discovering a surprisingly small value of beta less than 0.3 for the latter, which may be related to a graded potential barrier because of amorphous Al2O3 at the QD surface or interfacial chemistry inherent in the atomic layer deposition process. C1 [Smith, E. Ryan; Beard, Matthew C.; Nozik, Arthur J.; Johnson, Justin C.] NREL, Golden, CO 80401 USA. [Zhang, Jing; Nozik, Arthur J.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80301 USA. [Tolentino, Jason; Law, Matt] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Zhang, Jianbing] Huazhong Univ Sci & Technol, Sch Opt & Elect Informat, Wuhan 430074, Hubei, Peoples R China. RP Johnson, JC (reprint author), NREL, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM justin.johnson@nrel.gov RI Beard, MATTHEW/E-4270-2015; Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016 OI Beard, MATTHEW/0000-0002-2711-1355; FU Center for Advanced Solar Photophysics (CASP), an Energy Frontier Research Center - Basic Energy Sciences, U.S. Department of Energy; NSF Graduate Research Fellowship FX The authors gratefully acknowledge the Center for Advanced Solar Photophysics (CASP), an Energy Frontier Research Center sponsored by Basic Energy Sciences, U.S. Department of Energy. J.T. acknowledges support from an NSF Graduate Research Fellowship. NR 54 TC 16 Z9 16 U1 13 U2 103 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 16228 EP 16235 DI 10.1021/jp504240u PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700075 ER PT J AU Zhou, J Huang, JS Sumpter, BG Kent, PRC Xie, Y Terrones, H Smith, SC AF Zhou, Jia Huang, Jingsong Sumpter, Bobby G. Kent, Paul R. C. Xie, Yu Terrones, Humberto Smith, Sean C. TI Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; LAYERED MATERIALS; CDSE NANOSHEETS; QUANTUM DOTS; ELECTRONIC-STRUCTURE; OPTICAL-PROPERTIES; SOLAR-CELLS; BASIS-SET AB Two-dimensional (2D) nanocrystals of CdX (X = S, Se, Te) typically grown by colloidal synthesis are coated with organic ligands. Recent experimental work on ZnSe showed that the organic ligands can be removed at elevated temperature, giving a freestanding 2D sheet of ZnSe. In this theoretical work, freestanding single- to few-layer sheets of CdX, each possessing a pseudo honeycomb lattice, are considered by cutting along all possible lattice planes of the bulk zinc blende (ZB) and wurtzite (WZ) phases. Using density functional theory, we have systematically studied their geometric structures, energetics, and electronic properties. A strong surface distortion is found to occur for all of the layered sheets, and yet all of the pseudo honeycomb lattices are preserved, giving unique types of surface corrugations and different electronic properties. The energetics, in combination with phonon mode calculations and molecular dynamics simulations, indicate that the syntheses of these freestanding 2D sheets could be selective, with the single- to few-layer WZ110, WZ100, and ZB110 sheets being favored. Through the GW approximation, it is found that all single-layer sheets have large band gaps falling into the ultraviolet range, while thicker sheets in general have reduced band gaps in the visible and ultraviolet range. On the basis of the present work and the experimental studies on freestanding double-layer sheets of ZnSe, we envision that the freestanding 2D layered sheets of CdX predicted herein are potential synthesis targets, which may offer tunable band gaps depending on their structural features including surface corrugations, stacking motifs, and number of layers. C1 [Zhou, Jia; Huang, Jingsong; Sumpter, Bobby G.; Kent, Paul R. C.; Xie, Yu; Terrones, Humberto; Smith, Sean C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Huang, Jingsong; Sumpter, Bobby G.; Kent, Paul R. C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Zhou, J (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM zhouj1@ornl.gov RI Kent, Paul/A-6756-2008; Xie, Yu/E-5875-2011; Smith, Sean/H-5003-2015; Sumpter, Bobby/C-9459-2013; Huang, Jingsong/A-2789-2008 OI Kent, Paul/0000-0001-5539-4017; Xie, Yu/0000-0002-7782-5428; Smith, Sean/0000-0002-5679-8205; Sumpter, Bobby/0000-0001-6341-0355; Huang, Jingsong/0000-0001-8993-2506 FU Center for Nanophase Materials Sciences - ORNL by the Scientific User Facilities Division, U.S. Department of Energy; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22750, DE-AC02-05CH11231] FX This work was supported by the Center for Nanophase Materials Sciences, which is sponsored at ORNL by the Scientific User Facilities Division, U.S. Department of Energy. This work used computational resources of the Oak Ridge Leadership Computing Facility at Oak Ridge National laboratory and of the National Energy Research Scientific Computing Center, which are supported by the Office of Science of the U.S. Department of Energy under Contract Nos. DE-AC05-00OR22750 and DE-AC02-05CH11231, respectively. NR 72 TC 9 Z9 9 U1 8 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 24 PY 2014 VL 118 IS 29 BP 16236 EP 16245 DI 10.1021/jp504299e PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AM0MW UT WOS:000339540700076 ER PT J AU Ripke, S Neale, BM Corvin, A Walters, JTR Farh, KH Holmans, PA Lee, P Bulik-Sullivan, B Collier, DA Huang, HL Pers, TH Agartz, I Agerbo, E Albus, M Alexander, M Amin, F Bacanu, SA Begemann, M Belliveau, RA Bene, J Bergen, SE Bevilacqua, E Bigdeli, TB Black, DW Bruggeman, R Buccola, NG Buckner, RL Byerley, W Cahn, W Cai, GQ Campion, D Cantor, RM Carr, VJ Carrera, N Catts, SV Chambert, KD Chan, RCK Chen, RYL Chen, EYH Cheng, W Cheung, EFC Chong, SA Cloninger, CR Cohen, D Cohen, N Cormican, P Craddock, N Crowley, JJ Curtis, D Davidson, M Davis, KL Degenhardt, F Del Favero, J Demontis, D Dikeos, D Dinan, T Djurovic, S Donohoe, G Drapeau, E Duan, J Dudbridge, F Durmishi, N Eichhammer, P Eriksson, J Escott-Price, V Essioux, L Fanous, AH Farrell, MS Frank, J Franke, L Freedman, R Freimer, NB Friedl, M Friedman, JI Fromer, M Genovese, G Georgieva, L Giegling, I Giusti-Rodriguez, P Godard, S Goldstein, JI Golimbet, V Gopal, S Gratten, J de Haan, L Hammer, C Hamshere, ML Hansen, M Hansen, T Haroutunian, V Hartmann, AM Henskens, FA Herms, S Hirschhorn, JN Hoffmann, P Hofman, A Hollegaard, MV Hougaard, DM Ikeda, M Joa, I Julia, A Kahn, RS Kalaydjieva, L Karachanak-Yankova, S Karjalainen, J Kavanagh, D Keller, MC Kennedy, JL Khrunin, A Kim, Y Klovins, J Knowles, JA Konte, B Kucinskas, V Kucinskiene, ZA Kuzelova-Ptackova, H Kahler, AK Laurent, C Keong, JLC Lee, SH Legge, SE Lerer, B Li, MX Li, T Liang, KY Lieberman, J Limborska, S Loughland, CM Lubinski, J Lonnqvist, J Macek, M Magnusson, PKE Maher, BS Maier, W Mallet, J Marsal, S Mattheisen, M Mattingsdal, M McCarley, RW McDonald, C McIntosh, AM Meier, S Meijer, CJ Melegh, B Melle, I Mesholam-Gately, RI Metspalu, A Michie, PT Milani, L Milanova, V Mokrab, Y Morris, DW Mors, O Murphy, KC Murray, RM Myin-Germeys, I Muller-Myhsok, B Nelis, M Nenadic, I Nertney, DA Nestadt, G Nicodemus, KK Nikitina-Zake, L Nisenbaum, L Nordin, A O'Callaghan, E O'Dushlaine, C O'Neill, FA Oh, SY Olincy, A Olsen, L Van Os, J Pantelis, C Papadimitriou, GN Papiol, S Parkhomenko, E Pato, MT Paunio, T Pejovic-Milovancevic, M Perkins, DO Pietilainen, O Pimm, J Pocklington, AJ Powell, J Price, A Pulver, AE Purcell, SM Quested, D Rasmussen, HB Reichenberg, A Reimers, MA Richards, AL Roffman, JL Roussos, P Ruderfer, DM Salomaa, V Sanders, AR Schall, U Schubert, CR Schulze, TG Schwab, SG Scolnick, EM Scott, RJ Seidman, LJ Shi, JX Sigurdsson, E Silagadze, T Silverman, JM Sim, K Slominsky, P Smoller, JW So, HC Spencer, CCA Stahl, EA Stefansson, H Steinberg, S Stogmann, E Straub, RE Strengman, E Strohmaier, J Stroup, TS Subramaniam, M Suvisaari, J Svrakic, DM Szatkiewicz, JP Soderman, E Thirumalai, S Toncheva, D Tosato, S Veijola, J Waddington, J Walsh, D Wang, D Wang, Q Webb, BT Weiser, M Wildenauer, DB Williams, NM Williams, S Witt, SH Wolen, AR Wong, EHM Wormley, BK Xi, HS Zai, CC Zheng, XB Zimprich, F Wray, NR Stefansson, K Visscher, PM Adolfsson, R Andreassen, OA Blackwood, DHR Bramon, E Buxbaum, JD Borglum, AD Cichon, S Darvasi, A Domenici, E Ehrenreich, H Esko, T Gejman, PV Gill, M Gurling, H Hultman, CM Iwata, N Jablensky, AV Jonsson, EG Kendler, KS Kirov, G Knight, J Lencz, T Levinson, DF Li, QQS Liu, JJ Malhotra, AK McCarroll, SA McQuillin, A Moran, JL Mortensen, PB Mowry, BJ Nothen, MM Ophoff, RA Owen, MJ Palotie, A Pato, CN Petryshen, TL Posthuma, D Rietschel, M Riley, BP Rujescu, D Sham, PC Sklar, P St Clair, D Weinberger, DR Wendland, JR Werge, T Daly, MJ Sullivan, PF O'Donovan, MC AF Ripke, Stephan Neale, Benjamin M. Corvin, Aiden Walters, James T. R. Farh, Kai-How Holmans, Peter A. Lee, Phil Bulik-Sullivan, Brendan Collier, David A. Huang, Hailiang Pers, Tune H. Agartz, Ingrid Agerbo, Esben Albus, Margot Alexander, Madeline Amin, Farooq Bacanu, Silviu A. Begemann, Martin Belliveau, Richard A., Jr. Bene, Judit Bergen, Sarah E. Bevilacqua, Elizabeth Bigdeli, Tim B. Black, Donald W. Bruggeman, Richard Buccola, Nancy G. Buckner, Randy L. Byerley, William Cahn, Wiepke Cai, Guiqing Campion, Dominique Cantor, Rita M. Carr, Vaughan J. Carrera, Noa Catts, Stanley V. Chambert, Kimberly D. Chan, Raymond C. K. Chen, Ronald Y. L. Chen, Eric Y. H. Cheng, Wei Cheung, Eric F. C. Chong, Siow Ann Cloninger, C. Robert Cohen, David Cohen, Nadine Cormican, Paul Craddock, Nick Crowley, James J. Curtis, David Davidson, Michael Davis, Kenneth L. Degenhardt, Franziska Del Favero, Jurgen Demontis, Ditte Dikeos, Dimitris Dinan, Timothy Djurovic, Srdjan Donohoe, Gary Drapeau, Elodie Duan, Jubao Dudbridge, Frank Durmishi, Naser Eichhammer, Peter Eriksson, Johan Escott-Price, Valentina Essioux, Laurent Fanous, Ayman H. Farrell, Martilias S. Frank, Josef Franke, Lude Freedman, Robert Freimer, Nelson B. Friedl, Marion Friedman, Joseph I. Fromer, Menachem Genovese, Giulio Georgieva, Lyudmila Giegling, Ina Giusti-Rodriguez, Paola Godard, Stephanie Goldstein, Jacqueline I. Golimbet, Vera Gopal, Srihari Gratten, Jacob de Haan, Lieuwe Hammer, Christian Hamshere, Marian L. Hansen, Mark Hansen, Thomas Haroutunian, Vahram Hartmann, Annette M. Henskens, Frans A. Herms, Stefan Hirschhorn, Joel N. Hoffmann, Per Hofman, Andrea Hollegaard, Mads V. Hougaard, David M. Ikeda, Masashi Joa, Inge Julia, Antonio Kahn, Rene S. Kalaydjieva, Luba Karachanak-Yankova, Sena Karjalainen, Juha Kavanagh, David Keller, Matthew C. Kennedy, James L. Khrunin, Andrey Kim, Yunjung Klovins, Janis Knowles, James A. Konte, Bettina Kucinskas, Vaidutis Kucinskiene, Zita Ausrele Kuzelova-Ptackova, Hana Kahler, Anna K. Laurent, Claudine Keong, Jimmy Lee Chee Lee, S. Hong Legge, Sophie E. Lerer, Bernard Li, Miaoxin Li, Tao Liang, Kung-Yee Lieberman, Jeffrey Limborska, Svetlana Loughland, Carmel M. Lubinski, Jan Lonnqvist, Jouko Macek, Milan, Jr. Magnusson, Patrik K. E. Maher, Brion S. Maier, Wolfgang Mallet, Jacques Marsal, Sara Mattheisen, Manuel Mattingsdal, Morten McCarley, Robert W. McDonald, Colm McIntosh, Andrew M. Meier, Sandra Meijer, Carin J. Melegh, Bela Melle, Ingrid Mesholam-Gately, Raquelle I. Metspalu, Andres Michie, Patricia T. Milani, Lili Milanova, Vihra Mokrab, Younes Morris, Derek W. Mors, Ole Murphy, Kieran C. Murray, Robin M. Myin-Germeys, Inez Mueller-Myhsok, Bertram Nelis, Mari Nenadic, Igor Nertney, Deborah A. Nestadt, Gerald Nicodemus, Kristin K. Nikitina-Zake, Liene Nisenbaum, Laura Nordin, Annelie O'Callaghan, Eadbhard O'Dushlaine, Colm O'Neill, F. Anthony Oh, Sang-Yun Olincy, Ann Olsen, Line Van Os, Jim Pantelis, Christos Papadimitriou, George N. Papiol, Sergi Parkhomenko, Elena Pato, Michele T. Paunio, Tiina Pejovic-Milovancevic, Milica Perkins, Diana O. Pietilainen, Olli Pimm, Jonathan Pocklington, Andrew J. Powell, John Price, Alkes Pulver, Ann E. Purcell, Shaun M. Quested, Digby Rasmussen, Henrik B. Reichenberg, Abraham Reimers, Mark A. Richards, Alexander L. Roffman, Joshua L. Roussos, Panos Ruderfer, Douglas M. Salomaa, Veikko Sanders, Alan R. Schall, Ulrich Schubert, Christian R. Schulze, Thomas G. Schwab, Sibylle G. Scolnick, Edward M. Scott, Rodney J. Seidman, Larry J. Shi, Jianxin Sigurdsson, Engilbert Silagadze, Teimuraz Silverman, Jeremy M. Sim, Kang Slominsky, Petr Smoller, Jordan W. So, Hon-Cheong Spencer, Chris C. A. Stahl, Eli A. Stefansson, Hreinn Steinberg, Stacy Stogmann, Elisabeth Straub, Richard E. Strengman, Eric Strohmaier, Jana Stroup, T. Scott Subramaniam, Mythily Suvisaari, Jaana Svrakic, Dragan M. Szatkiewicz, Jin P. Soderman, Erik Thirumalai, Srinivas Toncheva, Draga Tosato, Sarah Veijola, Juha Waddington, John Walsh, Dermot Wang, Dai Wang, Qiang Webb, Bradley T. Weiser, Mark Wildenauer, Dieter B. Williams, Nigel M. Williams, Stephanie Witt, Stephanie H. Wolen, Aaron R. Wong, Emily H. M. Wormley, Brandon K. Xi, Hualin Simon Zai, Clement C. Zheng, Xuebin Zimprich, Fritz Wray, Naomi R. Stefansson, Kari Visscher, Peter M. Adolfsson, Rolf Andreassen, Ole A. Blackwood, Douglas H. R. Bramon, Elvira Buxbaum, Joseph D. Borglum, Anders D. Cichon, Sven Darvasi, Ariel Domenici, Enrico Ehrenreich, Hannelore Esko, Tonu Gejman, Pablo V. Gill, Michael Gurling, Hugh Hultman, Christina M. Iwata, Nakao Jablensky, Assen V. Jonsson, Erik G. Kendler, Kenneth S. Kirov, George Knight, Jo Lencz, Todd Levinson, Douglas F. Li, Qingqin S. Liu, Jianjun Malhotra, Anil K. McCarroll, Steven A. McQuillin, Andrew Moran, Jennifer L. Mortensen, Preben B. Mowry, Bryan J. Noethen, Markus M. Ophoff, Roel A. Owen, Michael J. Palotie, Aarno Pato, Carlos N. Petryshen, Tracey L. Posthuma, Danielle Rietschel, Marcella Riley, Brien P. Rujescu, Dan Sham, Pak C. Sklar, Pamela St Clair, David Weinberger, Daniel R. Wendland, Jens R. Werge, Thomas Daly, Mark J. Sullivan, Patrick F. O'Donovan, Michael C. CA Psychiat Genomics Consortium Psychosis Endophenotypes Int Conso Wellcome Trust Case-Control Consor TI Biological insights from 108 schizophrenia-associated genetic loci SO NATURE LA English DT Article ID GENOME-WIDE ASSOCIATION; COMMON VARIANTS; PSYCHIATRIC-DISORDERS; BIPOLAR DISORDER; CONFERRING RISK; DISEASE; IDENTIFICATION; METAANALYSIS; MUTATIONS; FRAMEWORK AB Schizophrenia is a highly heritable disorder. Genetic risk is conferred by a large number of alleles, including common alleles of small effect that might be detected by genome-wide association studies. Here we report a multi-stage schizophrenia genome-wide association study of up to 36,989 cases and 113,075 controls. We identify 128 independent associations spanning 108 conservatively defined loci that meet genome-wide significance, 83 of which have not been previously reported. Associations were enriched among genes expressed in brain, providing biological plausibility for the findings. Many findings have the potential to provide entirely new insights into aetiology, but associations at DRD2 and several genes involved in glutamatergic neurotransmission highlight molecules of known and potential therapeutic relevance to schizophrenia, and are consistent with leading pathophysiological hypotheses. Independent of genes expressed in brain, associations were enriched among genes expressed in tissues that have important roles in immunity, providing support for the speculated link between the immune system and schizophrenia. C1 [Ripke, Stephan; Neale, Benjamin M.; Farh, Kai-How; Lee, Phil; Bulik-Sullivan, Brendan; Huang, Hailiang; Fromer, Menachem; Goldstein, Jacqueline I.; Daly, Mark J.] Massachusetts Gen Hosp, Analyt & Translat Genet Unit, Boston, MA 02114 USA. [Ripke, Stephan; Neale, Benjamin M.; Lee, Phil; Bulik-Sullivan, Brendan; Belliveau, Richard A., Jr.; Bergen, Sarah E.; Bevilacqua, Elizabeth; Chambert, Kimberly D.; Fromer, Menachem; Genovese, Giulio; O'Dushlaine, Colm; Scolnick, Edward M.; Smoller, Jordan W.; McCarroll, Steven A.; Moran, Jennifer L.; Palotie, Aarno; Petryshen, Tracey L.; Daly, Mark J.] Broad Inst MIT & Harvard, Stanley Ctr Psychiat Res, Cambridge, MA 02142 USA. [Neale, Benjamin M.; Huang, Hailiang; Pers, Tune H.; Goldstein, Jacqueline I.; Hirschhorn, Joel N.; Price, Alkes; Stahl, Eli A.; Esko, Tonu; Daly, Mark J.] Broad Inst MIT & Harvard, Med & Populat Genet Program, Cambridge, MA 02142 USA. [Neale, Benjamin M.; Lee, Phil; Fromer, Menachem; Smoller, Jordan W.; Palotie, Aarno] Massachusetts Gen Hosp, Psychiat & Neurodev Genet Unit, Boston, MA 02114 USA. [Corvin, Aiden; Cormican, Paul; Donohoe, Gary; Morris, Derek W.; Gill, Michael] Univ Ireland Trinity Coll, Dept Psychiat, Neuropsychiat Genet Res Grp, Dublin 8, Ireland. [Walters, James T. R.; Holmans, Peter A.; Carrera, Noa; Craddock, Nick; Escott-Price, Valentina; Georgieva, Lyudmila; Hamshere, Marian L.; Kavanagh, David; Legge, Sophie E.; Pocklington, Andrew J.; Richards, Alexander L.; Ruderfer, Douglas M.; Williams, Nigel M.; Kirov, George; Owen, Michael J.; O'Donovan, Michael C.] Cardiff Univ, Sch Med, MRC Ctr Neuropsychiat Genet & Genom, Inst Psychol Med & Clin Neurosci, Cardiff CF24 4HQ, S Glam, Wales. [Holmans, Peter A.; Craddock, Nick; Owen, Michael J.; O'Donovan, Michael C.] Cardiff Univ, Natl Ctr Mental Hlth, Cardiff CF24 4HQ, S Glam, Wales. [Collier, David A.; Mokrab, Younes] Eli Lilly & Co Ltd, Erl Wood Manor, Windlesham GU20 6PH, Surrey, England. [Collier, David A.] Kings Coll London, Inst Psychiat, Social Genet & Dev Psychiat Ctr, London SE5 8AF, England. [Pers, Tune H.] Tech Univ Denmark, Dept Syst Biol, Ctr Biol Sequence Anal, DK-2800 Lyngby, Denmark. [Pers, Tune H.; Hirschhorn, Joel N.; Esko, Tonu] Boston Childrens Hosp, Div Endocrinol, Boston, MA 02115 USA. [Pers, Tune H.; Hirschhorn, Joel N.; Esko, Tonu] Boston Childrens Hosp, Ctr Basic & Translat Obes Res, Boston, MA 02115 USA. [Agartz, Ingrid; Soderman, Erik; Jonsson, Erik G.] Karolinska Inst, Psychiat Sect, Dept Clin Neurosci, SE-17176 Stockholm, Sweden. [Agartz, Ingrid] Diakonhjemmet Hosp, Dept Psychiat, N-0319 Oslo, Norway. [Agartz, Ingrid; Djurovic, Srdjan; Mattingsdal, Morten; Melle, Ingrid; Andreassen, Ole A.; Jonsson, Erik G.] Univ Oslo, Inst Clin Med, KG Jebsen Ctr Psychosis Res, NORMENT, N-0424 Oslo, Norway. [Agerbo, Esben; Mortensen, Preben B.] Aarhus Univ, CIRRAU, Ctr Integrat Register Based Res, DK-8210 Aarhus, Denmark. [Agerbo, Esben; Mortensen, Preben B.] Aarhus Univ, Natl Ctr Register Based Res, DK-8210 Aarhus, Denmark. [Agerbo, Esben; Demontis, Ditte; Hansen, Thomas; Mattheisen, Manuel; Mors, Ole; Olsen, Line; Rasmussen, Henrik B.; Borglum, Anders D.; Mortensen, Preben B.; Werge, Thomas] Lundbeck Fdn Initiat Integrat Psychiat Res, iPSYCH, Aarhus, Denmark. [Albus, Margot] State Mental Hosp, D-85540 Haar, Germany. [Alexander, Madeline; Laurent, Claudine; Levinson, Douglas F.] Stanford Univ, Dept Psychiat & Behav Sci, Stanford, CA 94305 USA. [Amin, Farooq] Atlanta Vet Affairs Med Ctr, Dept Psychiat & Behav Sci, Atlanta, GA 30033 USA. [Amin, Farooq] Emory Univ, Dept Psychiat & Behav Sci, Atlanta, GA 30322 USA. [Bacanu, Silviu A.; Bigdeli, Tim B.; Webb, Bradley T.; Wormley, Brandon K.] Virginia Commonwealth Univ, Dept Psychiat, Virginia Inst Psychiat & Behav Genet, Richmond, VA 23298 USA. [Begemann, Martin; Hammer, Christian; Papiol, Sergi; Ehrenreich, Hannelore] Max Planck Inst Expt Med, D-37075 Gottingen, Germany. [Bene, Judit; Melegh, Bela] Univ Pecs, Dept Med Genet, H-7624 Pecs, Hungary. [Bene, Judit; Melegh, Bela] Univ Pecs, Szentagothai Res Ctr, H-7624 Pecs, Hungary. [Bergen, Sarah E.; Kahler, Anna K.; Magnusson, Patrik K. E.; Hultman, Christina M.; Sullivan, Patrick F.] Karolinska Inst, Dept Med Epidemiol & Biostat, SE-17177 Stockholm, Sweden. [Black, Donald W.] Univ Iowa, Carver Coll Med, Dept Psychiat, Iowa City, IA 52242 USA. [Bruggeman, Richard] Univ Groningen, Univ Med Ctr Groningen, Dept Psychiat, NL-9700 RB Groningen, Netherlands. [Buccola, Nancy G.] Louisiana State Univ, Hlth Sci Ctr, Sch Nursing, New Orleans, LA 70112 USA. [Buckner, Randy L.; Roffman, Joshua L.] Massachusetts Gen Hosp, Athinoula A Martinos Ctr, Boston, MA 02129 USA. [Buckner, Randy L.] Harvard Univ, Ctr Brain Sci, Cambridge, MA 02138 USA. [Buckner, Randy L.; Roffman, Joshua L.] Massachusetts Gen Hosp, Dept Psychiat, Boston, MA 02114 USA. [Byerley, William] Univ Calif San Francisco, Dept Psychiat, San Francisco, CA 94143 USA. [Cahn, Wiepke; Kahn, Rene S.; Strengman, Eric; Ophoff, Roel A.] Univ Med Ctr Utrecht, Rudolf Magnus Inst Neurosci, Dept Psychiat, NL-3584 Utrecht, Netherlands. [Cai, Guiqing; Buxbaum, Joseph D.] Icahn Sch Med Mt Sinai, Dept Human Genet, New York, NY 10029 USA. [Cai, Guiqing; Davis, Kenneth L.; Drapeau, Elodie; Friedman, Joseph I.; Haroutunian, Vahram; Parkhomenko, Elena; Reichenberg, Abraham; Silverman, Jeremy M.; Buxbaum, Joseph D.] Icahn Sch Med Mt Sinai, Dept Psychiat, New York, NY 10029 USA. [Campion, Dominique] Ctr Hosp Rouvray, F-76301 Rouen, France. [Campion, Dominique] INSERM, U1079, Fac Med, F-76301 Rouen, France. [Cantor, Rita M.; Ophoff, Roel A.] Univ Calif Los Angeles, David Geffen Sch Med, Dept Human Genet, Los Angeles, CA 90095 USA. [Carr, Vaughan J.; Catts, Stanley V.; Henskens, Frans A.; Loughland, Carmel M.; Michie, Patricia T.; Pantelis, Christos; Schall, Ulrich; Scott, Rodney J.; Jablensky, Assen V.] Schizophrenia Res Inst, Sydney, NSW 2010, Australia. [Carr, Vaughan J.] Univ New S Wales, Sch Psychiat, Sydney, NSW 2031, Australia. [Catts, Stanley V.] Univ Queensland, Royal Brisbane & Womens Hosp, St Lucia, Qld 4072, Australia. [Chan, Raymond C. K.] Chinese Acad Sci, Inst Psychol, Beijing 100101, Peoples R China. [Chen, Ronald Y. L.; Chen, Eric Y. H.; Li, Miaoxin; So, Hon-Cheong; Wong, Emily H. M.; Sham, Pak C.] Univ Hong Kong, Li Ka Shing Fac Med, Dept Psychiat, Hong Kong, Hong Kong, Peoples R China. [Chen, Eric Y. 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EM odonovanmc@cardiff.ac.uk RI Myin-Germeys, Inez /L-5106-2014; Hansen, Thomas/O-5965-2014; Agerbo, Esben /A-2645-2012; McDonald, Colm/C-1430-2009; McCarley, Robert/N-5562-2014; Jablensky, Assen/H-5116-2014; Holmans, Peter/F-4518-2015; Mortensen, Preben /F-6758-2015; Hammer, Christian/C-5827-2014; Zai, Clement/G-7379-2015; Mortensen, Preben/D-2358-2015; Lee, Sang Hong/A-2569-2011; Powell, John/G-4412-2011; SCHALL, ULRICH/G-7452-2013; Mattheisen, Manuel/B-4949-2012; Catts, Stanley/G-6917-2013; Slominsky, Petr/B-4640-2016; So, Hon-Cheong/I-1100-2016; Pantelis, Christos/H-7722-2014; Domenici, Enrico/K-8194-2016; Ruderfer, Douglas/M-5795-2016; Roussos, Panos/J-7090-2013; Franke, Lude/P-7036-2016; Karjalainen, Juha/P-8624-2016; Lencz, Todd/J-3418-2014; McQuillin, Andrew/C-1623-2008; Magnusson, Patrik/C-4458-2017; Wray, Naomi/C-8639-2015; Herms, Stefan/J-1949-2014; Stroup, Thomas/F-9188-2014; OI Hansen, Thomas/0000-0001-6703-7762; Agerbo, Esben /0000-0002-2849-524X; McCarley, Robert/0000-0001-5705-7495; Holmans, Peter/0000-0003-0870-9412; Mortensen, Preben /0000-0002-4782-1450; Hammer, Christian/0000-0003-4548-7548; Mortensen, Preben/0000-0002-5230-9865; Lee, Sang Hong/0000-0001-9701-2718; Powell, John/0000-0001-6124-439X; Mattheisen, Manuel/0000-0002-8442-493X; Slominsky, Petr/0000-0003-3530-0655; Pantelis, Christos/0000-0002-9565-0238; Domenici, Enrico/0000-0001-7436-6919; Ruderfer, Douglas/0000-0002-2365-386X; Roussos, Panos/0000-0002-4640-6239; Franke, Lude/0000-0002-5159-8802; Lencz, Todd/0000-0001-8586-338X; McQuillin, Andrew/0000-0003-1567-2240; Wray, Naomi/0000-0001-7421-3357; Bergen, Sarah/0000-0002-5888-0034; McCarroll, Steven/0000-0002-6954-8184; Buccola, Nancy/0000-0003-1378-4636; Stefansson, Hreinn/0000-0002-9331-6666; Corvin, Aiden/0000-0001-6717-4089; O'Donovan, Michael/0000-0001-7073-2379; Agartz, Ingrid/0000-0002-9839-5391; Crowley, James/0000-0001-9051-1557; Golimbet, Vera/0000-0002-0114-4300; Herms, Stefan/0000-0002-2786-8200; Stroup, Thomas/0000-0002-3123-0672; Morris, Derek/0000-0002-3413-570X; Myin-Germeys, Inez/0000-0002-3731-4930; Andreassen, Ole A./0000-0002-4461-3568; Gill, Michael/0000-0003-0206-5337; Hollegaard, Mads Vilhelm/0000-0003-1061-0091; Escott-Price, Valentina/0000-0003-1784-5483; Goldstein, Jacqueline/0000-0003-1902-6916; Esko, Tonu/0000-0003-1982-6569; Murphy, Kieran/0000-0003-2930-4465; Julia Cano, Antonio/0000-0001-6064-3620; Moran, Jennifer/0000-0002-5664-4716; Walters, James/0000-0002-6980-4053; Suvisaari, Jaana/0000-0001-7167-0990; Buxbaum, Joseph/0000-0001-8898-8313; Bruggeman, Richard/0000-0002-3238-8471; O'Neill, Francis Anthony/0000-0002-7531-7657; /0000-0002-8114-7615; Huang, Hailiang/0000-0003-1461-5762; Adolfsson, Rolf/0000-0001-9785-8473; Golimbet, Vera/0000-0002-9960-7114; Jonsson, Erik/0000-0001-8368-6332; Nothen, Markus/0000-0002-8770-2464; Donohoe, Gary/0000-0003-3037-7426; Webb, Bradley/0000-0002-0576-5366; Gratten, Jacob/0000-0003-1293-409X; Henskens, Frans/0000-0003-2358-5630; murray, robin/0000-0003-0829-0519; Visscher, Peter/0000-0002-2143-8760; Eriksson, Johan/0000-0002-2516-2060; Curtis, David/0000-0002-4089-9183; Knight, Joanne/0000-0002-7148-1660; McIntosh, Andrew/0000-0002-0198-4588; Dinan, Timothy/0000-0002-2316-7220 FU US National Institute of Mental Health [U01 MH094421] FX Core funding for the Psychiatric Genomics Consortium is from the US National Institute of Mental Health (U01 MH094421). We thank T. Lehner (NIMH). The work of the contributing groups was supported by numerous grants from governmental and charitable bodies as well as philanthropic donation. Details are provided in the Supplementary Notes. Membership of the Wellcome Trust Case Control Consortium and of the Psychosis Endophenotype International Consortium are provided in the Supplementary Notes. NR 50 TC 564 Z9 567 U1 50 U2 325 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 24 PY 2014 VL 511 IS 7510 BP 421 EP + DI 10.1038/nature13595 PG 17 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL7SO UT WOS:000339335700037 ER PT J AU Walz, S Lorenzin, F Morton, J Wiese, KE von Eyss, B Herold, S Rycak, L Dumay-Odelot, H Karim, S Bartkuhn, M Roels, F Wustefeld, T Fischer, M Teichmann, M Zender, L Wei, CL Sansom, O Wolf, E Eilers, M AF Walz, Susanne Lorenzin, Francesca Morton, Jennifer Wiese, Katrin E. von Eyss, Bjoern Herold, Steffi Rycak, Lukas Dumay-Odelot, Helene Karim, Saadia Bartkuhn, Marek Roels, Frederik Wuestefeld, Torsten Fischer, Matthias Teichmann, Martin Zender, Lars Wei, Chia-Lin Sansom, Owen Wolf, Elmar Eilers, Martin TI Activation and repression by oncogenic MYC shape tumour-specific gene expression profiles SO NATURE LA English DT Article ID EMBRYONIC STEM-CELLS; C-MYC; CAD PROMOTER; RNA GENES; TRANSCRIPTION; BINDING; GENOME; MIZ-1; DNA; AMPLIFICATION AB In mammalian cells, the MYC oncoprotein binds to thousands of promoters(1-4). During mitogenic stimulation of primary lymphocytes, MYC promotes an increase in the expression of virtually all genes(1). In contrast, MYC-driven tumour cells differ from normal cells in the expression of specific sets of up-and downregulated genes that have considerable prognostic value(5-7). To understand this discrepancy, we studied the consequences of inducible expression and depletion of MYC in human cells and murine tumour models. Changes in MYC levels activate and repress specific sets of direct target genes that are characteristic of MYC-transformed tumour cells. Three factors account for this specificity. First, the magnitude of response parallels the change in occupancy by MYC at each promoter. Functionally distinct classes of target genes differ in the E-box sequence bound by MYC, suggesting that different cellular responses to physiological and oncogenic MYC levels are controlled by promoter affinity. Second, MYC both positively and negatively affects transcription initiation independent of its effect on transcriptional elongation(8). Third, complex formation with MIZ1 (also known as ZBTB17)(9) mediates repression of multiple target genes by MYC and the ratio of MYC and MIZ1 bound to each promoter correlates with the direction of response. C1 [Walz, Susanne; Lorenzin, Francesca; Wiese, Katrin E.; von Eyss, Bjoern; Herold, Steffi; Wolf, Elmar; Eilers, Martin] Univ Wurzburg, Bioctr, Theodor Boveri Inst, D-97074 Wurzburg, Germany. [Morton, Jennifer; Karim, Saadia; Sansom, Owen] CRUK Beatson Inst, Glasgow G61 1BD, Lanark, Scotland. [Rycak, Lukas] Inst Mol Biol & Tumor Res IMT, D-35033 Marburg, Germany. [Dumay-Odelot, Helene; Teichmann, Martin] Univ Bordeaux, IECB, ARNA Lab, Equipe Labellisee Canc, F-33600 Pessac, France. [Bartkuhn, Marek] Univ Giessen, Inst Genet, D-35390 Giessen, Germany. [Roels, Frederik; Fischer, Matthias] Univ Cologne, Univ Childrens Hosp Cologne, D-50924 Cologne, Germany. [Roels, Frederik; Fischer, Matthias] Univ Cologne, Cologne Ctr Mol Med CMMC, D-50924 Cologne, Germany. [Wuestefeld, Torsten; Zender, Lars] Univ Tubingen Hosp, Div Translat Gastrointestinal Oncol, Dept Internal Med 1, D-72076 Tubingen, Germany. [Zender, Lars] German Canc Res Ctr, German Ctr Translat Canc Res DKTK, Translat Gastrointestinal Oncol Grp, D-69121 Heidelberg, Germany. [Wei, Chia-Lin] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Wolf, Elmar] Univ Wurzburg, Rudolf Virchow Ctr, DFG Res Ctr Expt Biomed, D-97080 Wurzburg, Germany. [Eilers, Martin] Univ Wurzburg, Comprehens Canc Ctr Mainfranken, D-97080 Wurzburg, Germany. RP Eilers, M (reprint author), Univ Wurzburg, Bioctr, Theodor Boveri Inst, Hubland, D-97074 Wurzburg, Germany. EM elmar.wolf@biozentrum.uni-wuerzburg.de; martin.eilers@biozentrum.uni-wuerzburg.de RI Teichmann, Martin/M-7407-2014; DUMAY-ODELOT, Helene/M-7751-2014; OI Eilers, Martin/0000-0002-0376-6533; Morton, Jennifer/0000-0001-5766-9141; Wolf, Elmar/0000-0002-5299-6335; Sansom, Owen J./0000-0001-9540-3010 FU Deutsche Forschungsgemeinschaft (DFG) [222/5-3, 222/12-1]; graduate college 1048 ("Molecular basis of organ development in vertebrates''); DFG Research Center for Experimental Biomedicine; Institut National Du Cancer (INCa); Ligue National Contre le Cancer (Equipe Labellisee); Cancer Research UK core grant; European Research Council investigator grant, "Coloncan'' FX This work was funded by the Deutsche Forschungsgemeinschaft (DFG) through grants 222/5-3 and 222/12-1 (to M.E.), by a stipend of the graduate college 1048 ("Molecular basis of organ development in vertebrates'' to S.W.) and through the DFG Research Center for Experimental Biomedicine (to E.W.). M. T. was supported by grants from the Institut National Du Cancer (INCa) and by the Ligue National Contre le Cancer (Equipe Labellisee). O.S. and J.M. are funded by a Cancer Research UK core grant and a European Research Council investigator grant, "Coloncan''. We thank Y. L. Lee and T. Poh for help with ChIP-sequencing, F. Finkernagel for help with the bioinformatic analysis, A. Au for help with mouse experiments, B. Luscher for critical reading of the manuscript and D. Levens for providing data before publication. NR 38 TC 98 Z9 98 U1 1 U2 30 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 24 PY 2014 VL 511 IS 7510 BP 483 EP + DI 10.1038/nature13473 PG 17 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL7SO UT WOS:000339335700050 PM 25043018 ER PT J AU Aaltonen, T Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Appel, JA Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Auerbach, B Aurisano, A Azfar, F Badgett, W Bae, T Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bauce, M Bedeschi, F Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Bhatti, A Bland, KR Blumenfeld, B Bocci, A Bodek, A Bortoletto, D Boudreau, J Boveia, A Brigliadori, L Bromberg, C Brucken, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Butti, P Buzatu, A Calamba, A Camarda, S Campanelli, M Canelli, F Carls, B Carlsmith, D Carosi, R Carrillo, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chen, YC Chertok, M Chiarelli, G Chlachidze, G Cho, K Chokheli, D Clark, A Clarke, C Convery, ME Conway, J Corbo, M Cordelli, M Cox, CA Cox, DJ Cremonesi, M Cruz, D Cuevas, J Culbertson, R d'Ascenzo, N Datta, M De Barbaro, P Demortier, L Deninno, M D'Errico, M Devoto, F Di Canto, A Di Ruzza, B Dittmann, JR Donati, S D'Onofrio, M Dorig, M Driutti, A Ebina, K Edgar, R Elagin, A Erbacher, R Errede, S Esham, B Farrington, S Ramos, JPF Field, R Flanagan, G Forrest, R Franklin, M Freeman, JC Frisch, H Funakoshi, Y Galloni, C Garfinkel, AF Garosi, P Gerberich, H Gerchtein, E Giagu, S Giakoumopoulou, V Gibson, K Ginsburg, CM Giokaris, N Giromini, P Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldin, D Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Lopez, OG Gorelov, I Goshaw, AT Goulianos, K Gramellini, E Grinstein, S Grosso-Pilcher, C Group, RC da Costa, JG Hahn, SR Han, JY Happacher, F Hara, K Hare, M Harr, RF Harrington-Taber, T Hatakeyama, K Hays, C Heinrich, J Henry, S Herndon, M Hocker, A Hong, Z Hopkins, W Hou, S Hughes, RE Husemann, U Hussein, M Huston, J Introzzi, G Iori, M Ivanov, A James, E Jang, D Jayatilaka, B Jeon, EJ Jindariani, S Jones, M Joo, KK Jun, SY Junk, TR Kambeitz, M Kamon, T Karchin, PE Kasmi, A Kato, Y Ketchum, W Keung, J Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SH Kim, SB Kim, YJ Kim, YK Kimura, N Kirby, M Knoepfel, K Kondo, K Kong, DJ Konigsberg, J Kotwal, AV Kreps, M Kroll, J Kruse, M Kuhr, T Kurata, M Laasanen, AT Lammel, S Lancaster, M Lannon, K Latino, G Lee, HS Lee, JS Leo, S Leone, S Lewis, JD Limosani, A Lipeles, E Lister, A Liu, H Liu, Q Liu, T Lockwitz, S Loginov, A Lucchesi, D Luca, A Lueck, J Lujan, P Lukens, P Lungu, G Lys, J Lysak, R Madrak, R Maestro, P Malik, S Manca, G Manousakis-Katsikakis, A Marchese, L Margaroli, F Marino, P Martinez, M Matera, K Mattson, ME Mazzacane, A Mazzanti, P McNulty, R Mehta, A Mehtala, P Mesropian, C Miao, T Mietlicki, D Mitra, A Miyake, H Moed, S Moggi, N Moon, CS Moore, R Morello, MJ Mukherjee, A Muller, T Murat, P Mussini, M Nachtman, J Nagai, Y Naganoma, J Nakano, I Napier, A Nett, J Neu, C Nigmanov, T Nodulman, L Noh, SY Norniella, O Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Ortolan, L Pagliarone, C Palencia, E Palni, P Papadimitriou, V Parker, W Pauletta, G Paulini, M Paus, C Phillips, TJ Piacentino, G Pianori, E Pilot, J Pitts, K Plager, C Pondrom, L Poprocki, S Potamianos, K Pranko, A Prokoshin, F Ptohos, F Punzi, G Ranjan, N Fernandez, IR Renton, P Rescigno, M Rimondi, F Ristori, L Robson, A Rodriguez, T Rolli, S Ronzani, M Roser, R Rosner, JL Ruffini, F Ruiz, A Russ, J Rusu, V Sakumoto, WK Sakurai, Y Santi, L Sato, K Saveliev, V Savoy-Navarro, A Schlabach, P Schmidt, EE Schwarz, T Scodellaro, L Scuri, F Seidel, S Seiya, Y Semenov, A Sforza, F Shalhout, SZ Shears, T Shepard, PF Shimojima, M Shochet, M Shreyber-Tecker, I Simonenko, A Sliwa, K Smith, JR Snider, FD Song, H Sorin, V St Denis, R Stancari, M Stentz, D Strologas, J Sudo, Y Sukhanov, A Suslov, I Takemasa, K Takeuchi, Y Tang, J Tecchio, M Teng, PK Thom, J Thomson, E Thukral, V Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Totaro, P Trovato, M Ukegawa, F Uozumi, S Vazquez, F Velev, G Vellidis, C Vernieri, C Vidal, M Vilar, R Vizan, J Vogel, M Volpi, G Wagner, P Wallny, R Wang, SM Waters, D Wester, WC Whiteson, D Wicklund, AB Wilbur, S Williams, HH Wilson, JS Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, H Wright, T Wu, X Wu, Z Yamamoto, K Yamato, D Yang, T Yang, UK Yang, YC Yao, WM Yeh, GP Yi, K Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Zanetti, AM Zeng, Y Zhou, C Zucchellia, S AF Aaltonen, T. Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Appel, J. A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Auerbach, B. Aurisano, A. Azfar, F. Badgett, W. Bae, T. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Barria, P. Bartos, P. Bauce, M. Bedeschi, F. Behari, S. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Bhatti, A. Bland, K. R. Blumenfeld, B. Bocci, A. Bodek, A. Bortoletto, D. Boudreau, J. Boveia, A. Brigliadori, L. Bromberg, C. Brucken, E. Budagov, J. Budd, H. S. Burkett, K. Busetto, G. Bussey, P. Butti, P. Buzatu, A. Calamba, A. Camarda, S. Campanelli, M. Canelli, F. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Cho, K. Chokheli, D. Clark, A. Clarke, C. Convery, M. E. Conway, J. Corbo, M. Cordelli, M. Cox, C. A. Cox, D. J. Cremonesi, M. Cruz, D. Cuevas, J. Culbertson, R. d'Ascenzo, N. Datta, M. De Barbaro, P. Demortier, L. Deninno, M. D'Errico, M. Devoto, F. Di Canto, A. Di Ruzza, B. Dittmann, J. R. Donati, S. D'Onofrio, M. Dorig, M. Driutti, A. Ebina, K. Edgar, R. Elagin, A. Erbacher, R. Errede, S. Esham, B. Farrington, S. Fernandez Ramos, J. P. Field, R. Flanagan, G. Forrest, R. Franklin, M. Freeman, J. C. Frisch, H. Funakoshi, Y. Galloni, C. Garfinkel, A. F. Garosi, P. Gerberich, H. Gerchtein, E. Giagu, S. Giakoumopoulou, V. Gibson, K. Ginsburg, C. M. Giokaris, N. Giromini, P. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldin, D. Golossanov, A. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez Lopez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gramellini, E. Grinstein, S. Grosso-Pilcher, C. Group, R. C. da Costa, J. Guimaraes Hahn, S. R. Han, J. Y. Happacher, F. Hara, K. Hare, M. Harr, R. F. Harrington-Taber, T. Hatakeyama, K. Hays, C. Heinrich, J. Henry, S. Herndon, M. Hocker, A. Hong, Z. Hopkins, W. Hou, S. Hughes, R. E. Husemann, U. Hussein, M. Huston, J. Introzzi, G. Iori, M. Ivanov, A. James, E. Jang, D. Jayatilaka, B. Jeon, E. J. Jindariani, S. Jones, M. Joo, K. K. Jun, S. Y. Junk, T. R. Kambeitz, M. Kamon, T. Karchin, P. E. Kasmi, A. Kato, Y. Ketchum, W. Keung, J. Kilminster, B. Kim, D. H. Kim, H. S. Kim, J. E. Kim, M. J. Kim, S. H. Kim, S. B. Kim, Y. J. Kim, Y. K. Kimura, N. Kirby, M. Knoepfel, K. Kondo, K. Kong, D. J. Konigsberg, J. Kotwal, A. V. Kreps, M. Kroll, J. Kruse, M. Kuhr, T. Kurata, M. Laasanen, A. T. Lammel, S. Lancaster, M. Lannon, K. Latino, G. Lee, H. S. Lee, J. S. Leo, S. Leone, S. Lewis, J. D. Limosani, A. Lipeles, E. Lister, A. Liu, H. Liu, Q. Liu, T. Lockwitz, S. Loginov, A. Lucchesi, D. Luca, A. Lueck, J. Lujan, P. Lukens, P. Lungu, G. Lys, J. Lysak, R. Madrak, R. Maestro, P. Malik, S. Manca, G. Manousakis-Katsikakis, A. Marchese, L. Margaroli, F. Marino, P. Martinez, M. Matera, K. Mattson, M. E. Mazzacane, A. Mazzanti, P. McNulty, R. Mehta, A. Mehtala, P. Mesropian, C. 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Shalhout, S. Z. Shears, T. Shepard, P. F. Shimojima, M. Shochet, M. Shreyber-Tecker, I. Simonenko, A. Sliwa, K. Smith, J. R. Snider, F. D. Song, H. Sorin, V. St. Denis, R. Stancari, M. Stentz, D. Strologas, J. Sudo, Y. Sukhanov, A. Suslov, I. Takemasa, K. Takeuchi, Y. Tang, J. Tecchio, M. Teng, P. K. Thom, J. Thomson, E. Thukral, V. Toback, D. Tokar, S. Tollefson, K. Tomura, T. Tonelli, D. Torre, S. Torretta, D. Totaro, P. Trovato, M. Ukegawa, F. Uozumi, S. Vazquez, F. Velev, G. Vellidis, C. Vernieri, C. Vidal, M. Vilar, R. Vizan, J. Vogel, M. Volpi, G. Wagner, P. Wallny, R. Wang, S. M. Waters, D. Wester, W. C., III Whiteson, D. Wicklund, A. B. Wilbur, S. Williams, H. H. Wilson, J. S. Wilson, P. Winer, B. L. Wittich, P. Wolbers, S. Wolfe, H. Wright, T. Wu, X. Wu, Z. Yamamoto, K. Yamato, D. Yang, T. Yang, U. K. Yang, Y. C. Yao, W. -M. Yeh, G. P. Yi, K. Yoh, J. Yorita, K. Yoshida, T. Yu, G. B. Yu, I. Zanetti, A. M. Zeng, Y. Zhou, C. Zucchellia, S. CA CDF Collaboration TI Measurement of the Inclusive Leptonic Asymmetry in Top-Quark Pairs that Decay to Two Charged Leptons at CDF SO PHYSICAL REVIEW LETTERS LA English DT Article ID FORWARD-BACKWARD ASYMMETRY; TEVATRON AB We measure the inclusive forward-backward asymmetry of the charged-lepton pseudorapidities from top-quark pairs produced in proton-antiproton collisions and decaying to final states that contain two charged leptons (electrons or muons). The data are collected with the Collider Detector at Fermilab and correspond to an integrated luminosity of 9.1 fb(-1). We measure the leptonic forward-backward asymmetry, A(FB)(l), to be 0.072 +/- 0.060 and the leptonic pair forward-backward asymmetry, A(FB)(ll), to be 0.076 +/- 0.082. The measured values can be compared with the standard model predictions of A(FB)(l) = 0.038 +/- 0.003 and A(FB)(ll) 0.048 +/- 0.004, respectively. Additionally, we combine the A(FB)(l) result with a previous determination from a final state with a single lepton and hadronic jets and obtain A(FB)(l) 0.090(-0.026)(+0.028). C1 [Chen, Y. C.; Hou, S.; Mitra, A.; Teng, P. K.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Auerbach, B.; Nodulman, L.; Wicklund, A. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Giakoumopoulou, V.; Giokaris, N.; Manousakis-Katsikakis, A.] Univ Athens, Athens 15771, Greece. [Camarda, S.; Cavalli-Sforza, M.; Grinstein, S.; Martinez, M.; Ortolan, L.; Sorin, V.] Univ Autonoma Barcelona, Inst Fis Altes Energies, ICREA, E-08193 Barcelona, Spain. [Bland, K. R.; Dittmann, J. R.; Hatakeyama, K.; Kasmi, A.; Wu, Z.] Baylor Univ, Waco, TX 76798 USA. [Brigliadori, L.; Castro, A.; Deninno, M.; Gramellini, E.; Mazzanti, P.; Moggi, N.; Mussini, M.; Rimondi, F.; Zucchellia, S.] Ist Nazl Fis Nucl Bologna, Bologna, Italy. 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[Casarsa, M.; Cauz, D.; Dorig, M.; Driutti, A.; Pagliarone, C.; Pauletta, G.; Santi, L.; Zanetti, A. M.] Ist Nazl Fis Nucl Trieste, Trieste, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Grp Collegato Udine, Udine, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Univ Udine, I-33100 Udine, Italy. [Dorig, M.] Univ Trieste, I-34127 Trieste, Italy. [Hara, K.; Kim, S. H.; Kurata, M.; Miyake, H.; Nagai, Y.; Sato, K.; Shimojima, M.; Sudo, Y.; Takemasa, K.; Takeuchi, Y.; Tomura, T.; Ukegawa, F.] Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. [Hare, M.; Napier, A.; Rolli, S.; Sliwa, K.] Tufts Univ, Medford, MA 02155 USA. [Liu, H.; Neu, C.; Okusawa, T.] Univ Virginia, Charlottesville, VA 22906 USA. [Arisawa, T.; Ebina, K.; Funakoshi, Y.; Kimura, N.; Kondo, K.; Naganoma, J.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo 169, Japan. [Clarke, C.; Harr, R. F.; Karchin, P. E.; Mattson, M. E.] Wayne State Univ, Detroit, MI 48201 USA. [Bellinger, J.; Carlsmith, D.; Herndon, M.; Parker, W.; Pondrom, L.] Univ Wisconsin, Madison, WI 53706 USA. [Husemann, U.; Lockwitz, S.; Loginov, A.] Yale Univ, New Haven, CT 06520 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. RI Chiarelli, Giorgio/E-8953-2012; vilar, rocio/P-8480-2014; Grinstein, Sebastian/N-3988-2014; Russ, James/P-3092-2014; Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Punzi, Giovanni/J-4947-2012; Cavalli-Sforza, Matteo/H-7102-2015; Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Marino, Pietro/N-7030-2015; song, hao/I-2782-2012; Gorelov, Igor/J-9010-2015; maestro, paolo/E-3280-2010; Prokoshin, Fedor/E-2795-2012; Canelli, Florencia/O-9693-2016; Ruiz, Alberto/E-4473-2011; OI Chiarelli, Giorgio/0000-0001-9851-4816; Grinstein, Sebastian/0000-0002-6460-8694; Russ, James/0000-0001-9856-9155; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Punzi, Giovanni/0000-0002-8346-9052; Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Marino, Pietro/0000-0003-0554-3066; song, hao/0000-0002-3134-782X; Gorelov, Igor/0000-0001-5570-0133; maestro, paolo/0000-0002-4193-1288; Prokoshin, Fedor/0000-0001-6389-5399; Canelli, Florencia/0000-0001-6361-2117; Ruiz, Alberto/0000-0002-3639-0368; Jun, Soon Yung/0000-0003-3370-6109; Group, Robert/0000-0002-4097-5254; Simonenko, Alexander/0000-0001-6580-3638; Lancaster, Mark/0000-0002-8872-7292; Casarsa, Massimo/0000-0002-1353-8964; Margaroli, Fabrizio/0000-0002-3869-0153; Latino, Giuseppe/0000-0002-4098-3502; iori, maurizio/0000-0002-6349-0380; Toback, David/0000-0003-3457-4144; Vidal Marono, Miguel/0000-0002-2590-5987; Hays, Chris/0000-0003-2371-9723; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Dorigo, Mirco/0000-0002-0681-6946; Brucken, Jens Erik/0000-0001-6066-8756; Torre, Stefano/0000-0002-7565-0118 FU U.S. Department of Energy and National Science Foundation; Ministry of Education, Culture, Sports, Science and Technology of Japan; Natural Sciences and Engineering Research Council of Canada; National Science Council of the Republic of China; Swiss National Science Foundation; A. P. Sloan Foundation; Bundesministerium fur Bildung und Forschung, Germany; Korean World Class University Program, the National Research Foundation of Korea; Science and Technology Facilities Council and the Royal Society, United Kingdom; Russian Foundation for Basic Research; Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio , Spain; Slovak RD Agency; Academy of Finland; Australian Research Council (ARC); EU [302103] FX We thank the Fermilab staff and the technical staffs of theparticipating institutions for their vital contributions. This work was supported by the U. S. Department of Energy and National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the Ministry of Education, Culture, Sports, Science and Technology of Japan; the Natural Sciences and Engineering Research Council of Canada; the National Science Council of the Republic of China; the Swiss National Science Foundation; the A. P. Sloan Foundation; the Bundesministerium fur Bildung und Forschung, Germany; the Korean World Class University Program, the National Research Foundation of Korea; the Science and Technology Facilities Council and the Royal Society, United Kingdom; the Russian Foundation for Basic Research; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Slovak R&D Agency; the Academy of Finland; the Australian Research Council (ARC); and the EU community Marie Curie Fellowship Contract No. 302103. NR 51 TC 18 Z9 18 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 23 PY 2014 VL 113 IS 4 AR 042001 DI 10.1103/PhysRevLett.113.042001 PG 8 WC Physics, Multidisciplinary SC Physics GA AM1PQ UT WOS:000339620300002 PM 25105608 ER PT J AU Basov, DN Fogler, MM Lanzara, A Wang, F Zhang, YB AF Basov, D. N. Fogler, M. M. Lanzara, A. Wang, Feng Zhang, Yuanbo TI Colloquium: Graphene spectroscopy SO REVIEWS OF MODERN PHYSICS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; HEXAGONAL BORON-NITRIDE; MASSLESS DIRAC FERMIONS; TERAHERTZ-PROBE SPECTROSCOPY; 2-DIMENSIONAL ELECTRON-GAS; SUSPENDED BILAYER GRAPHENE; BROKEN-SYMMETRY STATES; MANY-BODY INTERACTIONS; GATE-TUNABLE GRAPHENE; STRONG MAGNETIC-FIELD AB Spectroscopic studies of electronic phenomena in graphene are reviewed. A variety of methods and techniques are surveyed, from quasiparticle spectroscopies (tunneling, photoemission) to methods probing density and current response (infrared optics, Raman) to scanning probe nanoscopy and ultrafast pump-probe experiments. Vast complimentary information derived from these investigations is shown to highlight unusual properties of Dirac quasiparticles and many-body interaction effects in the physics of graphene. C1 [Basov, D. N.; Fogler, M. M.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Lanzara, A.; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Lanzara, A.; Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Yuanbo] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China. [Zhang, Yuanbo] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. RP Basov, DN (reprint author), Univ Calif San Diego, Dept Phys, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM dbasov@ucsd.edu; mfogler@ucsd.edu RI wang, Feng/I-5727-2015 FU ONR [N0014-13-0464]; DOE-BES [DE-FG02-00ER45799, DE-SC0003949, DE-AC02-05CH11231]; AFOSR [FA9550-09-1-0566]; NSF [DMR-1337356]; ARO [W911NF-13-1-0210]; UCOP; FENA; Novel sp2-bonded Materials Program at Lawrence Berkeley National Laboratory - DOE Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231]; NSF of China [11034001]; MOST of China [2011CB921802] FX D. B., M. F., and F. W. acknowledge support from ONR under Grant No. N0014-13-0464. The work at UCSD is also supported by DOE-BES under Contract No. DE-FG02-00ER45799, by AFOSR Grant No. FA9550-09-1-0566, by NSF Grant No. DMR-1337356, by ARO Grant No. W911NF-13-1-0210, and also by UCOP and FENA. Additionally, F. W. is supported by DOE-BES under Contracts No. DE-SC0003949 and No. DE-AC02-05CH11231. A. L. acknowledges support from the Novel sp2-bonded Materials Program at Lawrence Berkeley National Laboratory, funded by the DOE Office of Basic Energy Sciences, Materials Sciences and Engineering Division under Contract No. DE-AC02-05CH11231. Y. Z is supported by NSF of China through Grant No. 11034001 and MOST of China through Grant No. 2011CB921802. NR 424 TC 77 Z9 77 U1 22 U2 255 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0034-6861 EI 1539-0756 J9 REV MOD PHYS JI Rev. Mod. Phys. PD JUL 23 PY 2014 VL 86 IS 3 BP 959 EP 994 DI 10.1103/RevModPhys.86.959 PG 36 WC Physics, Multidisciplinary SC Physics GA AO2AS UT WOS:000341117800001 ER PT J AU Mangum, BD Wang, F Dennis, AM Gao, YQ Ma, XD Hollingsworth, JA Htoon, H AF Mangum, Benjamin D. Wang, Feng Dennis, Allison M. Gao, Yongqian Ma, Xuedan Hollingsworth, Jennifer A. Htoon, Han TI Competition between Auger Recombination and Hot-Carrier Trapping in PL Intensity Fluctuations of Type II Nanocrystals SO SMALL LA English DT Article ID COLLOIDAL QUANTUM DOTS; CORE-SHELL NANOCRYSTALS; SUPPRESSED BLINKING; SEMICONDUCTOR NANOCRYSTALS; ROOM-TEMPERATURE; PHOTOLUMINESCENCE; EFFICIENT; THICKNESS; GROWTH AB Performing time-tagged, time-correlated, single-photon-counting studies on individual colloidal nanocrystal quantum dots (NQDs), the evolution of photoluminescence (PL) intensity-fluctuation behaviors in near-infrared (NIR) emitting type II, InP/CdS core-shell NQDs is investigated as a function of shell thickness. It is observed that Auger recombination and hot-carrier trapping compete in defining the PL intensity-fluctuation behavior for NQDs with thin shells, whereas the role of hot-carrier trapping dominates for NQDs with thick shells. These studies further reveal the distinct ramifications of altering either the excitation fluence or repetition rate. Specifically, an increase in laser pump fluence results in the creation of additional hot-carrier traps. Alternately, higher repetition rates cause a saturation in hot-carrier traps, thus activating Auger-related PL fluctuations. Furthermore, it is shown that Auger recombination of negatively charged excitons is suppressed more strongly than that of positively charged excitons because of the asymmetry in the electron-hole confinement in type II NQDs. Thus, this study provides new understanding of how both NQD structure (shell thickness and carrier-separation characteristics) and excitation conditions can be used to tune the PL stability, with important implications for room-temperature single-photon generation. Specifically, the first non-blinking NQD capable of single-photon emission in the near-infrared spectral regime is described. C1 [Mangum, Benjamin D.; Wang, Feng; Dennis, Allison M.; Gao, Yongqian; Ma, Xuedan; Hollingsworth, Jennifer A.; Htoon, Han] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Htoon, H (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM htoon@lanl.gov OI Htoon, Han/0000-0003-3696-2896 FU Single-Investigator Small-Group Research Award [2009LANL1096]; Office of Basic Energy Sciences (OBES); Office of Science (OS); U.S. Department of Energy (DOE); NIH-NIGMS [1R01GM084702-01] FX This work was mainly supported by a Single-Investigator Small-Group Research Award (2009LANL1096), Office of Basic Energy Sciences (OBES), Office of Science (OS), U.S. Department of Energy (DOE), and was conducted at the Center for Integrated Nanotechnologies, a DOE, OS, OBES user facility and nanoscale science research center. J.A.H acknowledges partial support by NIH-NIGMS Grant 1R01GM084702-01. NR 50 TC 12 Z9 12 U1 7 U2 49 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1613-6810 EI 1613-6829 J9 SMALL JI Small PD JUL 23 PY 2014 VL 10 IS 14 BP 2892 EP 2901 DI 10.1002/smll.201302896 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AN5VX UT WOS:000340660900021 PM 24715631 ER PT J AU Bo, SH Veith, GM Saccomanno, MR Huang, HF Burmistrova, PV Malingowski, AC Sacci, RL Kittilstved, KR Grey, CP Khalifah, PG AF Bo, Shou-Hang Veith, Gabriel M. Saccomanno, Michael R. Huang, Huafeng Burmistrova, Polina V. Malingowski, Andrew C. Sacci, Robert L. Kittilstved, Kevin R. Grey, Clare P. Khalifah, Peter G. TI Thin-Film and Bulk Investigations of LiCoBO3 as a Li-Ion Battery Cathode SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE LiCoBO3; LiFeBO3; cathode; thin film; d(7) trigonal-bipyramidal ion ID RECHARGEABLE BATTERIES; NMR; LIFEBO3; ELECTROCHEMISTRY; MN AB The compound LiCoBO3 is an appealing candidate for next-generation Li-ion batteries based on its high theoretical specific capacity of 215 mAh/g and high expected discharge voltage (more than 4 V vs Li+/Li). However, this level of performance has not yet been realized in experimental cells, even with nanosized particles. Reactive magnetron sputtering was therefore used to prepare thin films of LiCoBO3, allowing the influence of the particle thickness on the electrochemical performance to be explicitly tested. Even when ultrathin films (similar to 15 nm) were prepared, there was a negligible electrochemical response from LiCoBO3. Impedance spectroscopy measurements suggest that the conductivity of LiCoBO3 is many orders of magnitude worse than that of LiFeBO3 and may severely limit the performance. The unusual blue color of LiCoBO3 was investigated by spectroscopic techniques, which allowed the determination of a charge-transfer optical gap of 4.2 eV and the attribution of the visible light absorption peak at 2.2 eV to spin-allowed d -> d transitions (assigned as overlapping (4)A(2)' to (4)A(2)'' and E-4 '' final states based on ligand-field modeling). C1 [Bo, Shou-Hang; Saccomanno, Michael R.; Huang, Huafeng; Burmistrova, Polina V.; Malingowski, Andrew C.; Grey, Clare P.; Khalifah, Peter G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Veith, Gabriel M.; Sacci, Robert L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37381 USA. [Kittilstved, Kevin R.] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. [Grey, Clare P.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. [Khalifah, Peter G.] BNL, Dept Chem, Upton, NY 11973 USA. RP Khalifah, PG (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM kpete@bnl.gov RI Kittilstved, Kevin/B-8204-2009 FU Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center - U.S. Department of Energy (DOE), BES [DE-SC0001294]; Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. DOE; UT-Battelle, LLC; DOE [DE-AC02-98CH10886]; DOE Solar Photochemistry program at SBU [DE-FG02-11ER16266]; DOE Solar Photochemistry program at BNL FX This work was supported by the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), BES, under Award DE-SC0001294, including matching support from NYSTAR-NYSDED. The members of the NECCES EFRC are thanked for many informal discussions, especially those groups that have studied other LiMBO3 compounds (G. Ceder, P. Chupas, K. Chapman, X.-Q Yang, K. Nam, R. Kostecki, F. Wang, and Y. Zhu). The portion of this work at Oak Ridge National Laboratory was supported by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. DOE, under contract with UT-Battelle, LLC (RLC, impedance; GMV, thin films). Optical data and electron microscopy data were collected at Brookhaven National Laboratory's Center for Functional Nanomaterials supported by the DOE under Grant DE-AC02-98CH10886. A.C.M., H.H., and P.V.B. acknowledge support from the DOE Solar Photochemistry program at SBU (Grant DE-FG02-11ER16266) and at BNL. The group of T. Glotch (Department of Geosciences at SBU) is gratefully thanked for use of the biaxial reflectance system and for many extended discussions on the optical properties of solids. NR 26 TC 7 Z9 7 U1 5 U2 76 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD JUL 23 PY 2014 VL 6 IS 14 BP 10840 EP 10848 DI 10.1021/am500860a PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AL9PB UT WOS:000339472100003 PM 24809458 ER PT J AU Ko, JK Wiaderek, KM Pereira, N Kinnibrugh, TL Kim, JR Chupas, PJ Chapman, KW Amatucci, GG AF Ko, Jonathan K. Wiaderek, Kamila M. Pereira, Nathalie Kinnibrugh, Tiffany L. Kim, Joshua R. Chupas, Peter J. Chapman, Karena W. Amatucci, Glenn G. TI Transport, Phase Reactions, and Hysteresis of Iron Fluoride and Oxyfluoride Conversion Electrode Materials for Lithium Batteries SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE lithium; battery; iron fluoride; transport; hysteresis; PITT ID OHMIC POTENTIAL DROP; DIFFUSION-COEFFICIENT; LI; NANOCOMPOSITES; INTERCALATION; KINETICS; FILMS; ELECTROCHEMISTRY; SPECTROSCOPY; DETECTOR AB Potentiostatic intermittent titration technique (PITT) was applied to FeF2, FeF3, and FeO0.67F1.33 to gain insight into the transport-related aspects of the conversion reaction by quantitative analysis of Li+ diffusion and hysteresis. PITT derived diffusion coefficient measurements were benchmarked relative to values extracted by electrochemical impedance spectroscopy (EIS). A reverse-step PITT methodology was used to evaluate true hysteresis by eliminating nucleation induced overpotentials. This method evaluates the minimum potential hysteresis and allowed an accurate representation of the potential required to move conversion reactions forward at C/1000 rates in both lithiation and delithiation. The high resolution PITT data were also used to gain further insight into reaction mechanisms involved in the reversible conversion reactions. Physical evidence, based on pair distribution function (PDF) structural analysis, and electrochemical evidence are presented regarding a new step in the reaction during the rutile FeF2 reconversion reaction. C1 [Ko, Jonathan K.; Pereira, Nathalie; Kim, Joshua R.; Amatucci, Glenn G.] Rutgers State Univ, Energy Storage Res Grp, Dept Mat Sci & Engn, North Brunswick, NJ 08902 USA. [Wiaderek, Kamila M.; Kinnibrugh, Tiffany L.; Chupas, Peter J.; Chapman, Karena W.] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. RP Amatucci, GG (reprint author), Rutgers State Univ, Energy Storage Res Grp, Dept Mat Sci & Engn, North Brunswick, NJ 08902 USA. EM gamatucc@rci.rutgers.edu FU Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001294]; U.S. Department of Energy [DE-AC02-06CH11357] FX This work is financially supported by the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Basic Energy Sciences, under Award DE-SC0001294. Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory, were supported by the U.S. Department of Energy under Contract DE-AC02-06CH11357. The authors thank G. Ceder, Stephen Garofalini, and A. Van der Ven for useful discussions. NR 43 TC 29 Z9 29 U1 9 U2 84 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD JUL 23 PY 2014 VL 6 IS 14 BP 10858 EP 10869 DI 10.1021/am500538b PG 12 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AL9PB UT WOS:000339472100005 PM 24708435 ER PT J AU Polat, DB Lu, J Abouimrane, A Keles, O Amine, K AF Polat, Deniz B. Lu, Jun Abouimrane, Ali Keles, Ozgul Amine, Khalil TI Nanocolumnar Structured Porous Cu-Sn Thin Film as Anode Material for Lithium-Ion Batteries SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE anode; porous thin film; inclined nanocolum; oblique angle deposition; lithium-ion battery; electron beam ID ALLOY ANODES; ELECTROCHEMICAL PERFORMANCE; ELECTRODES; TIN; DEPOSITION; CU6SN5; BINARY AB Two nanocolumnar structured porous Cu-Sn films were produced by tuning the duration of the process using an oblique angle deposition (OAD) technique of electron beam coevaporation method. The structural and morphological properties of these porous Cu-Sn films are characterized using thin film X-ray diffraction, scanning electron microcopy (SEM) and atomic force microscopy (AFM). Galvanostatic half-cell electrochemical measurements were conducted in between 5 mV to 2.5 V using a Li counter electrode, demonstrating that the Cu rich Cu6Sn5 thin film having homogenously distributed nanocolumns achieved a good cycleability up to 100 cycles with a high capacity retention, whereas the Cu6Sn5 nanostructured porous thick film with inhomogeneous morphology showed only a very short cycle life (<25 cycles). The difference in the electrochemical performances of the thin and thick nanocolumnar structured porous Cu-Sn films resulting from different evaporation duration was evaluated on the basis of X-ray photoelectron spectroscopy (XPS) analysis on the cycled samples. C1 [Polat, Deniz B.; Keles, Ozgul] Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Amine, Khalil] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah, Saudi Arabia. RP Polat, DB (reprint author), Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. EM bpolat@itu.edu.tr; ozgulkeles@itu.edu.tr; amine@anl.gov RI Faculty of, Sciences, KAU/E-7305-2017 FU Scientific and Technological Research Council of Turkey (TUBITAK) [110M148]; U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE); Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program FX This work is a part of the research project 110M148 approved by The Scientific and Technological Research Council of Turkey (TUBITAK). The research grant is gratefully acknowledged. This work was also supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the main support provided by the Vehicle Technologies Office, Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE). J. Lu was supported by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE. NR 36 TC 16 Z9 16 U1 8 U2 93 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD JUL 23 PY 2014 VL 6 IS 14 BP 10877 EP 10885 DI 10.1021/am405994b PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AL9PB UT WOS:000339472100007 PM 24712436 ER PT J AU Zeier, WG Zhou, SL Lopez-Bermudez, B Page, K Melot, BC AF Zeier, Wolfgang G. Zhou, Shiliang Lopez-Bermudez, Beatriz Page, Katharine Melot, Brent C. TI Dependence of the Li-Ion Conductivity and Activation Energies on the Crystal Structure and Ionic Radii in Li6MLa2Ta2O12 SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE solid electrolytes; impedance spectrosopy; neutron diffraction; activation energy; garnets; synchrotron diffraction ID GARNET-TYPE LI7LA3ZR2O12; TRANSPORT-PROPERTIES; LITHIUM; ELECTROLYTES; LI6BALA2TA2O12; CONDUCTORS; BATTERY; PHASES AB Inspired by the promising ionic conductivities of the lithium conducting garnets, we present a comparative study on the influence of the ionic radius of M2+ on the 8-coordinate site and the crystal structure on the ionic transport in the solid solution Li6MLa2Ta2O12. Neutron diffraction and synchrotron diffraction in combination with AC impedance measurements are employed to understand the systematic substitution with different-sized alkaline earth cations M2+. As may be expected, the unit-cell parameters increase linearly with increasing ionic radius from Ca2+ over Sr2+ to Ba2+, accompanied by an increase in the polyhedral volumes of the dodecahedral, and tetrahedral positions and the ionic conductivities. While the TaO6 octahedral volume remain constant, the anisotropic thermal parameters of the coordinating oxygen anions suggest a high degree of rotational freedom with increasing unit-cell size. These structural parameters lead to lower activation energies because of broader Li conduction pathways and a higher flexibility in the crystal lattice, ultimately controlling the ionic conductivities in this class of materials. C1 [Zeier, Wolfgang G.; Zhou, Shiliang; Lopez-Bermudez, Beatriz; Melot, Brent C.] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. [Page, Katharine] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Zeier, WG (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. EM zeier@usc.edu; melot@usc.edu RI Page, Katharine/C-9726-2009; Zeier, Wolfgang/N-2562-2014; Melot, Brent/B-6456-2008; Zhou, Shiliang/L-9376-2013 OI Page, Katharine/0000-0002-9071-3383; Melot, Brent/0000-0002-7078-8206; Zhou, Shiliang/0000-0003-3851-5176 FU Dana and David Dornsife College of Letters and Sciences at the University of Southern California; German Academic Exchange Service (DAAD); DoE BES; DoE [DE-AC52-06NA25396]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX B.C.M., W.G.Z., and S.Z. gratefully acknowledge financial support through start-up funding provided by the Dana and David Dornsife College of Letters and Sciences at the University of Southern California. W.G.Z. also acknowledges the support by a fellowship within the Postdoc-Program of the German Academic Exchange Service (DAAD). The authors thank Chirranjeevi Balaji Gopal for his help and the discussions while building up the impedance measurement system. This work benefited from the use of the NPDF beamline at the Lujan Center at Los Alamos Neutron Science Center, funded by DoE BES. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DoE Contract DE-AC52-06NA25396. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. NR 37 TC 16 Z9 16 U1 5 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD JUL 23 PY 2014 VL 6 IS 14 BP 10900 EP 10907 DI 10.1021/am4060194 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AL9PB UT WOS:000339472100010 PM 24601478 ER PT J AU Oh, SM Hwang, JY Yoon, CS Lu, J Amine, K Belharouak, I Sun, YK AF Oh, Seung-Min Hwang, Jang-Yeon Yoon, C. S. Lu, Jun Amine, Khalil Belharouak, Illias Sun, Yang-Kook TI High Electrochemical Performances of Microsphere C-TiO2 Anode for Sodium-Ion Battery SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE hydrothermal method; anode; TiO2; Na battery; carbon coating ID ANATASE TIO2; CARBON; LITHIUM; INSERTION; ELECTROLYTE AB High-power, long-life carbon-coated TiO2 microsphere electrodes were synthesized by a hydrothermal method for sodium ion batteries, and the electrochemical properties were evaluated as a function of carbon content. The carbon coating, introduced by sucrose addition, had an effect of suppressing the growth of the TiO2 primary crystallites during calcination. The carbon coated TiO2 (sucrose 20 wt 96 coated) electrode exhibited excellent cycle retention during 50 cycles (100%) and superior rate capability up to a 30 C rate at room temperature. This cell delivered a high discharge capacity of 155 mAh g(composite)(-1) at 0.1 C, 149 mAh g(composite)(-1) at 1 C, and 82.7 mAh g(composite)(-1) at a 10 C rate, respectively. C1 [Oh, Seung-Min; Hwang, Jang-Yeon; Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. [Yoon, C. S.] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea. [Lu, Jun; Amine, Khalil; Belharouak, Illias] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Belharouak, Illias] Qatar Fdn, Qatar Environm & Energy Res Inst, Doha, Qatar. RP Sun, YK (reprint author), Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. EM yksun@hanyang.ac.kr OI Belharouak, Ilias/0000-0002-3985-0278 FU Global Frontier R&D Program on Center for Hybrid Interface Materials (HIM) - Ministry of Science, ICT & Future Planning [2013-073298]; Human Resources Development program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) - Korea government Ministry of Trade, Industry and Energy [20124010203310] FX This work was supported by the Global Frontier R&D Program (2013-073298) on Center for Hybrid Interface Materials (HIM) funded by the Ministry of Science, ICT & Future Planning. and the Human Resources Development program (20124010203310) of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Trade, Industry and Energy. NR 24 TC 79 Z9 79 U1 21 U2 197 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD JUL 23 PY 2014 VL 6 IS 14 BP 11295 EP 11301 DI 10.1021/am501772a PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AL9PB UT WOS:000339472100061 PM 24950122 ER PT J AU Dai, X Nguyen, BM Hwang, Y Soci, C Dayeh, SA AF Dai, Xing Binh-Minh Nguyen Hwang, Yoontae Soci, Cesare Dayeh, Shadi A. TI Novel Heterogeneous Integration Technology of III-V Layers and InGaAs FinFETs to Silicon SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID EPITAXIAL LIFT-OFF; COMPOUND SEMICONDUCTORS; MOSFETS; ELECTRONICS; TRANSISTORS; CHANNEL AB Heterogeneous integration of III-V compound semiconductors to Si substrates is regarded as a necessary step for advancing high-speed electronics and hybrid optoelectronic systems for data processing and communications, and is extensively being pursued by the semiconductor industry. Here, an innovative fab-compatible, hybrid integration process of III-V materials to Si, namely InGaAs thin films to insulator-on-Si, is reported, and the first III-V FinFET devices on Si are demonstrated. Transfer of crystalline InGaAs layers with high quality to SiO2/Si is accomplished by the formation of a robust interfacial nickel-silicide (NiSi) bonding interface, marking the first report for using silicides in III-V hybrid integration technology. The performance of optimally fabricated InGaAs FinFETs on insulator on Si is systematically investigated for a broad range of channel lengths and Fin perimeters with excellent switching characteristics. This demonstrates a viable approach to large-scale hybrid integration of active III-V devices to mainstream Si CMOS technology, enabling low-power electronic and fully-integrated optoelectronic applications. C1 [Dai, Xing; Binh-Minh Nguyen; Hwang, Yoontae; Dayeh, Shadi A.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Dai, Xing; Soci, Cesare] Nanyang Technol Univ, Div Phys & Appl Phys, Singapore 637371, Singapore. [Binh-Minh Nguyen] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Dai, X (reprint author), Univ Calif San Diego, Dept Elect & Comp Engn, 9500 Gilman Dr MC 0407, La Jolla, CA 92093 USA. EM sdayeh@ece.ucsd.edu RI Soci, Cesare/A-8355-2008 OI Soci, Cesare/0000-0002-0149-9128 FU National Nuclear Security Administration of U.S. Department of Energy [DE-AC52-06NA25396]; UC San Diego [ECER117]; Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory [20120747PRD1, 20100601PRD2]; National Science Foundation, Division of Materials Research [0902277]; NTU-NAP start-up grant [M4080511] FX The authors are grateful to Dr. John Nogan and Mrs. Denise Webb of Sandia National Laboratories for their assistance with facility operation and useful discussions and for the insightful comments from Prof. S. S. Lau at UC San Diego. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. X. D., B.M.N, Y.H., and S. A. D. acknowledge support from a faculty start-up fund at UC San Diego (ECER117) and Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory project numbers (20120747PRD1, 20100601PRD2), and partial support from the National Science Foundation, Division of Materials Research, DMR-Award No. 0902277. X. D. and C. S. acknowledge support from NTU-NAP start-up grant (M4080511). NR 38 TC 9 Z9 10 U1 5 U2 53 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 23 PY 2014 VL 24 IS 28 BP 4420 EP 4426 DI 10.1002/adfm.201400105 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AM2XE UT WOS:000339713900005 ER PT J AU Duong, DT Ho, V Shang, ZR Mollinger, S Mannsfeld, SCB Dacuna, J Toney, MF Segalman, R Salleo, A AF Duong, Duc T. Ho, Victor Shang, Zhengrong Mollinger, Sonya Mannsfeld, Stefan C. B. Dacuna, Javier Toney, Michael F. Segalman, Rachel Salleo, Alberto TI Mechanism of Crystallization and Implications for Charge Transport in Poly(3-ethylhexylthiophene) Thin Films SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; COCRYSTALLIZATION MECHANISM; POLY(3-HEXYLTHIOPHENE); MICROSTRUCTURE; AGGREGATION; THIOPHENES); POLYMERS; MOBILITY AB In this work, crystallization kinetics and aggregate growth of poly(3-ethylhexylthiophene) (P3EHT) thin films are studied as a function of film thickness. X-ray diffraction and optical absorption show that individual aggregates and crystallites grow anisotropically and mostly along only two packing directions: the alkyl stacking and the polymer chain backbone direction. Further, it is also determined that crystallization kinetics is limited by the reorganization of polymer chains and depends strongly on the film thickness and average molecular weight. Time-dependent, field-effect hole mobilities in thin films reveal a percolation threshold for both low and high molecular weight P3EHT. Structural analysis reveals that charge percolation requires bridged aggregates separated by a distance of similar to 2-3 nm, which is on the order of the polymer persistence length. These results thus highlight the importance of tie molecules and inter-aggregate distance in supporting charge percolation in semiconducting polymer thin films. The study as a whole also demonstrates that P3EHT is an ideal model system for polythiophenes and should prove to be useful for future investigations into crystallization kinetics. C1 [Duong, Duc T.; Shang, Zhengrong; Mollinger, Sonya; Salleo, Alberto] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Ho, Victor; Segalman, Rachel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Mannsfeld, Stefan C. B.; Toney, Michael F.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Dacuna, Javier] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. RP Duong, DT (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM asalleo@stanford.edu OI Segalman, Rachel/0000-0002-4292-5103 FU National Science Foundation [DMR 1205752]; Stanford Graduate Fellowship; National Science Foundation Graduate Research Fellowship; Center for Advanced Molecular Photovoltaics - King Abdullah University of Science and Technology (KAUST) [KUS-C1-015-21] FX A.S. gratefully acknowledges financial support from the National Science Foundation (DMR 1205752 award). D.T.D. is supported by a Stanford Graduate Fellowship and the National Science Foundation Graduate Research Fellowship. S. M. is supported by a Stanford Graduate Fellowship. J.D. was supported by the Center for Advanced Molecular Photovoltaics (Award No. KUS-C1-015-21), made by King Abdullah University of Science and Technology (KAUST). A portion of this research was carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. NR 35 TC 19 Z9 19 U1 4 U2 64 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 23 PY 2014 VL 24 IS 28 BP 4515 EP 4521 DI 10.1002/adfm.201304247 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AM2XE UT WOS:000339713900016 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Eroe, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hartl, C Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, H Schoefbeck, R Strauss, J Taurok, A Treberer-Treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Heracleous, N Kalogeropoulos, A Keaveney, J Kim, TJ Lowette, S Maes, M Olbrechts, A Strom, D Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Favart, L Gay, APR Leonard, A Marage, PE Mohammadi, A Pernie, L Reis, T Seva, T Thomas, L Velde, CV Vanlaer, P Wang, J Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Dildick, S Garcia, G Klein, B Lellouch, J Mccartin, J Rios, AAO Ryckbosch, D Diblen, SS Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Da Silveira, GG Delaere, C Du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jez, P Komm, M Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Quertenmont, L Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Junior, MCM Martins, T Pol, ME Souza, MHG Junior, WLA Carvalho, W Chinellato, J Custodio, A Da 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CA CMS Collaboration TI Studies of dijet transverse momentum balance and pseudorapidity distributions in pPb collisions at root s(NN)=5.02 TeV SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID QUARK-GLUON PLASMAS; PARTICLE-PRODUCTION; PBPB COLLISIONS; JET PRODUCTION; INCLUSIVE JET; SUPPRESSION; DEPENDENCE; DETECTOR; PARTON; ENERGY AB Dijet production has been measured in collisions at a nucleon-nucleon centre-of-mass energy of 5.02. A data sample corresponding to an integrated luminosity of 35 was collected using the Compact Muon Solenoid detector at the Large Hadron Collider. The dijet transverse momentum balance, azimuthal angle correlations, and pseudorapidity distributions are studied as a function of the transverse energy in the forward calorimeters (). For collisions, the dijet transverse momentum ratio and the width of the distribution of dijet azimuthal angle difference are comparable to the same quantities obtained from a simulated reference and insensitive to . In contrast, the mean value of the dijet pseudorapidity is found to change monotonically with increasing , indicating a correlation between the energy emitted at large pseudorapidity and the longitudinal motion of the dijet frame. The pseudorapidity distribution of the dijet system in minimum bias collisions is compared with next-to-leading-order perturbative QCD predictions obtained from both nucleon and nuclear parton distribution functions, and the data more closely match the latter. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. 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[Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Ntomari, E.; Psallidas, A.; Topsis-Giotis, I.] NCSR Demokritos, INPP, Aghia Paraskevi, Greece. [Gouskos, L.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.] Univ Athens, Athens, Greece. [Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.] Wigner Res Ctr Phys, Budapest, Hungary. [Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, H-4012 Debrecen, Hungary. [Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Mittal, M.; Nishu, N.; Sharma, A.; Singh, J. 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[Arfaei, H.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Naseri, M.; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Grunewald, M.] Univ Coll Dublin, Dublin 2, Ireland. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Verwilligen, P.; Zito, G.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Marangelli, B.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Singh, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Fabbricatore, P.; Ferretti, R.; Ferro, F.; Lo Vetere, M.; Musenich, R.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; De Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; De Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bellato, M.; Bisello, D.; Branca, A.; Carlin, R.; Fanzago, F.; Galanti, M.; Gasparini, F.; Giubilato, P.; Gonella, F.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. 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A.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Grippo, M. T.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Martini, L.] Univ Pisa, Pisa, Italy. [Messineo, A.; Rizzi, A.; Broccolo, G.; Fiori, F.; Foa, L.; Ligabue, F.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Grassi, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Soffi, L.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.; Traczyk, P.] Univ Roma, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Degano, A.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Migliore, E.; Monaco, V.; Ortona, G.; Pacher, L.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.; Umer, T.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, I-34014 Trieste, Italy. [Della Ricca, G.; La Licata, C.; Marone, M.; Montanino, D.; Schizzi, A.; Umer, T.] Univ Trieste, Trieste, Italy. [Chang, S.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Son, D. C.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, Y.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Komaragiri, J. R.] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia. [Komaragiri, J. 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[Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Wolszczak, W.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Bargassa, P.; Silva, C. Beirao Da Cruz E.; Faccioli, P.; Parracho, P. G. Ferreira; Gallinaro, M.; Nguyen, F.; Antunes, J. Rodrigues; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Bunin, P.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Kozlov, G.; Lanev, A.; Moisenz, P.; Skatchkov, N.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Golovtsov, V.; Levchenko, P.; Smirnov, I.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. 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[Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Maestre, J. Alcaraz; Battilana, C.; Calvo, E.; Cerrada, M.; Llatas, M. Chamizo; Colino, N.; De la Cruz, B.; Peris, A. Delgado; Vazquez, D. Dominguez; Bedoya, C. Fernandez; Ramos, J. P. Fernandez; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Lopez, O. Gonzalez; Lopez, S. Goy; Hernandez, J. M.; Josa, M. I.; Merino, G.; De Martino, E. Navarro; Pelayo, J. Puerta; Olmeda, A. Quintario; Redondo, I.; Romero, L.; Soares, M. 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F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Giffels, M.; Gigi, D.; Gill, K.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Innocente, V.; Janot, P.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenco, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Mulders, M.; Musella, P.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Plagge, M.; Racz, A.; Reece, W.; Rolandi, G.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Steggemann, J.; Stieger, B.; Stoye, M.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland. [Le Bihan, A. -C.; Bachmair, F.; Baeni, L.; Bianchini, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Grab, C.; Hits, D.; Lustermann, W.; Mangano, B.; Marini, A. C.; Del Arbol, P. Martinez Ruiz; Meister, D.; Mohr, N.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Quittnat, M.; Ronga, F. J.; Rossini, M.; Starodumov, A.; Takahashi, M.; Tauscher, L.; Treille, D.; Wallny, R.; Weber, H. A.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; De Cosa, A.; Favaro, C.; Hinzmann, A.; Hreus, T.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Ngadiuba, J.; Robmann, P.; Snoek, H.; Taroni, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Liu, Y. F.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wang, M.; Wilken, R.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Ilic, J.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A-M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Petridis, M. K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.] Univ London Imperial Coll Sci Technol & Med, London, England. [Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.; Swanson, J.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De la Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Lacroix, F.; Liu, H.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Shrinivas, A.; Sturdy, J.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Kovalskyi, D.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Campagnari, C.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Villalba, R. Magana; Mccoll, N.; Pavlunin, V.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gruenendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Ratnikova, N.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Haytmyradov, M.; Merlo, J-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.] Johns Hopkins Univ, Baltimore, MD USA. [Baringer, P.; Bean, A.; Benelli, G.; Iii, R. P. Kenny; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Barbieri, R.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.] Northwestern Univ, Evanston, IL USA. [Berry, D.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Pegna, D. Lopes; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; De Arbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Petrillo, G.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Rose, K.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Bouhali, O.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.] Wayne State Univ, Detroit, MI USA. [Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Duric, S.; Friis, E.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sakharov, A.; Sarangi, T.; Savin, A.; Smith, W. H.] Univ Wisconsin, Madison, WI 53706 USA. [Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Chinellato, J.; Manganote, E. J. Tonelli] Univ Estadual Campinas, Campinas, SP, Brazil. 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Cag Univ, Mersin, Turkey. Mersin Univ, Mersin, Turkey. Izmir Inst Technol, Izmir, Turkey. Ozyegin Univ, Istanbul, Turkey. Kafkas Univ, Kars, Turkey. Istanbul Univ, Fac Sci, Istanbul, Turkey. Mimar Sinan Univ Istanbul, Istanbul, Turkey. [Gunaydin, Y. O.] Kahramanmaras Sutcu Imam Univ, TR-46050 Kahramanmaras, Turkey. Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. Univ Perugia, I-06100 Perugia, Italy. Utah Valley Univ, Orem, UT USA. Argonne Natl Lab, Argonne, IL 60439 USA. Erzincan Univ, Erzincan, Turkey. Yildiz Tekn Univ, Istanbul, Turkey. Texas A&M Univ Qatar, Doha, Qatar. RP Chatrchyan, S (reprint author), Yerevan Phys Inst, Yerevan 375036, Armenia. RI Rolandi, Luigi (Gigi)/E-8563-2013; Da Silveira, Gustavo Gil/N-7279-2014; Mundim, Luiz/A-1291-2012; Haj Ahmad, Wael/E-6738-2016; Konecki, Marcin/G-4164-2015; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; KIM, Tae Jeong/P-7848-2015; Paganoni, Marco/A-4235-2016; Azarkin, Maxim/N-2578-2015; de Jesus Damiao, Dilson/G-6218-2012; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Tomei, Thiago/E-7091-2012; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Tinoco Mendes, Andre David/D-4314-2011; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Hernandez Calama, Jose Maria/H-9127-2015; ciocci, maria agnese /I-2153-2015; My, Salvatore/I-5160-2015; Matorras, Francisco/I-4983-2015; Lo Vetere, Maurizio/J-5049-2012; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; Cakir, Altan/P-1024-2015; TUVE', Cristina/P-3933-2015; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Chinellato, Jose Augusto/I-7972-2012; Petrushanko, Sergey/D-6880-2012; Bernardes, Cesar Augusto/D-2408-2015; Raidal, Martti/F-4436-2012; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Wulz, Claudia-Elisabeth/H-5657-2011; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Manganote, Edmilson/K-8251-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Ragazzi, Stefano/D-2463-2009; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Codispoti, Giuseppe/F-6574-2014; Yazgan, Efe/A-4915-2015; Cerrada, Marcos/J-6934-2014; Dahms, Torsten/A-8453-2015; Azzi, Patrizia/H-5404-2012; Calvo Alamillo, Enrique/L-1203-2014; VARDARLI, Fuat Ilkehan/B-6360-2013; Torassa, Ezio/I-1788-2012; Venturi, Andrea/J-1877-2012; Lokhtin, Igor/D-7004-2012; Calderon, Alicia/K-3658-2014; Josa, Isabel/K-5184-2014; Novaes, Sergio/D-3532-2012; Montanari, Alessandro/J-2420-2012; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014 OI Longo, Egidio/0000-0001-6238-6787; Di Matteo, Leonardo/0000-0001-6698-1735; Baarmand, Marc/0000-0002-9792-8619; Rahatlou, Shahram/0000-0001-9794-3360; Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Diemoz, Marcella/0000-0002-3810-8530; Ghezzi, Alessio/0000-0002-8184-7953; Benaglia, Andrea Davide/0000-0003-1124-8450; Fiorendi, Sara/0000-0003-3273-9419; Martelli, Arabella/0000-0003-3530-2255; Gonzi, Sandro/0000-0003-4754-645X; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Mundim, Luiz/0000-0001-9964-7805; Haj Ahmad, Wael/0000-0003-1491-0446; Konecki, Marcin/0000-0001-9482-4841; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Levchenko, Petr/0000-0003-4913-0538; KIM, Tae Jeong/0000-0001-8336-2434; Paganoni, Marco/0000-0003-2461-275X; de Jesus Damiao, Dilson/0000-0002-3769-1680; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Tomei, Thiago/0000-0002-1809-5226; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Hernandez Calama, Jose Maria/0000-0001-6436-7547; ciocci, maria agnese /0000-0003-0002-5462; My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Lo Vetere, Maurizio/0000-0002-6520-4480; Rovelli, Tiziano/0000-0002-9746-4842; TUVE', Cristina/0000-0003-0739-3153; Grandi, Claudio/0000-0001-5998-3070; Chinellato, Jose Augusto/0000-0002-3240-6270; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Ragazzi, Stefano/0000-0001-8219-2074; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Codispoti, Giuseppe/0000-0003-0217-7021; Cerrada, Marcos/0000-0003-0112-1691; Dahms, Torsten/0000-0003-4274-5476; Azzi, Patrizia/0000-0002-3129-828X; Calvo Alamillo, Enrique/0000-0002-1100-2963; Novaes, Sergio/0000-0003-0471-8549; Montanari, Alessandro/0000-0003-2748-6373; Scodellaro, Luca/0000-0002-4974-8330 FU Austrian Federal Ministry of Science and Research; Austrian Science Fund; Belgian Fonds de la Recherche Scientifique; Fonds voor Wetenschappelijk Onderzoek; CNPq; CAPES; FAPERJ; FAPESP; Bulgarian Ministry of Education and Science; CERN; Chinese Academy of Sciences; Ministry of Science and Technology; National Natural Science Foundation of China; Colombian Funding Agency (COLCIENCIAS); Croatian Ministry of Science, Education and Sport; Croatian Science Foundation; Research Promotion Foundation; Cyprus; Ministry of Education and Research; European Regional Development Fund; Estonia; Academy of Finland; Finnish Ministry of Education and Culture; Helsinki Institute of Physics; Institut National de Physique Nucleaire et de Physique des Particules / CNRS; Commissariat a l'Energie Atomique et aux Energies Alternatives / CEA, France; Bundesministerium fur Bildung und Forschung; Deutsche Forschungsgemeinschaft; Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; General Secretariat for Research and Technology, Greece; National Scientific Research Foundation; National Innovation Office, Hungary; Department of Atomic Energy, India; Department of Science and Technology, India; Institute for Studies in Theoretical Physics and Mathematics, Iran; Science Foundation, Ireland; Istituto Nazionale di Fisica Nucleare, Italy; Korean Ministry of Education, Science and Technology, Republic of Korea; World Class University program of NRF, Republic of Korea; Lithuanian Academy of Sciences; Ministry of Education (Malaysia); University of Malaya (Malaysia); CINVESTAV, Mexican Funding Agency; CONACYT, Mexican Funding Agency; SEP, Mexican Funding Agency; UASLP-FAI, Mexican Funding Agency; Ministry of Business, Innovation and Employment, New Zealand; Pakistan Atomic Energy Commission; Ministry of Science and Higher Education, Poland; National Science Centre, Poland; Fundacao para a Ciencia e a Tecnologia, Portugal; JINR, Dubna; Ministry of Education and Science of the Russian Federation; Federal Agency of Atomic Energy of the Russian Federation; Russian Academy of Sciences; Russian Foundation for Basic Research; Ministry of Education, Science and Technological Development of Serbia; Secretaria de Estado de Investigacion, Spain; Desarrollo e Innovacion, Spain; Programa Consolider-Ingenio, Spain; ETH Board, Swiss Funding Agency; ETH Zurich, Swiss Funding Agency; PSI, Swiss Funding Agency; SNF, Swiss Funding Agency; UniZH, Swiss Funding Agency; Canton Zurich, Swiss Funding Agency; SER, Swiss Funding Agency; National Science Council, Taipei; Thailand Center of Excellence in Physics; Institute for the Promotion of Teaching Science and Technology of Thailand; Special Task Force for Activating Research; National Science and Technology Development Agency of Thailand; Scientific and Technical Research Council of Turkey; Turkish Atomic Energy Authority; Science and Technology Facilities Council, UK; US Department of Energy; US National Science Foundation; Marie-Curie programme (European Union); European Research Council (European Union); EPLANET (European Union); Leventis Foundation; A. P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office (FRIA-Belgium); Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of Education, Youth and Sports (MEYS) of Czech Republic; Council of Science and Industrial Research, India; Compagnia di San Paolo (Torino); HOMING PLUS programme of Foundation for Polish Science; EU; Regional Development Fund; Thalis and Aristeia programmes - EU-ESF; Greek NSRF; [SF0690030s09] FX We would like to thank Jose Guilherme Milhano and Nestor Armesto for their suggestion to study the dijet pseudorapidity shift as a function of HF transverse energy in the proton and lead directions, which extended the scope of this analysis. We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centres and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses.; Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: the Austrian Federal Ministry of Science and Research and the Austrian Science Fund; the Belgian Fonds de la Recherche Scientifique, and Fonds voor Wetenschappelijk Onderzoek; the Brazilian Funding Agencies (CNPq, CAPES, FAPERJ, and FAPESP); the Bulgarian Ministry of Education and Science; CERN; the Chinese Academy of Sciences, Ministry of Science and Technology, and National Natural Science Foundation of China; the Colombian Funding Agency (COLCIENCIAS); the Croatian Ministry of Science, Education and Sport, and the Croatian Science Foundation; the Research Promotion Foundation, Cyprus; the Ministry of Education and Research, Recurrent financing contract SF0690030s09 and European Regional Development Fund, Estonia; the Academy of Finland, Finnish Ministry of Education and Culture, and Helsinki Institute of Physics; the Institut National de Physique Nucleaire et de Physique des Particules / CNRS, and Commissariat a l'Energie Atomique et aux Energies Alternatives / CEA, France; the Bundesministerium fur Bildung und Forschung, Deutsche Forschungsgemeinschaft, and Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; the General Secretariat for Research and Technology, Greece; the National Scientific Research Foundation, and National Innovation Office, Hungary; the Department of Atomic Energy and the Department of Science and Technology, India; the Institute for Studies in Theoretical Physics and Mathematics, Iran; the Science Foundation, Ireland; the Istituto Nazionale di Fisica Nucleare, Italy; the Korean Ministry of Education, Science and Technology and the World Class University program of NRF, Republic of Korea; the Lithuanian Academy of Sciences; the Ministry of Education, and University of Malaya (Malaysia); the Mexican Funding Agencies (CINVESTAV, CONACYT, SEP, and UASLP-FAI); the Ministry of Business, Innovation and Employment, New Zealand; the Pakistan Atomic Energy Commission; the Ministry of Science and Higher Education and the National Science Centre, Poland; the Fundacao para a Ciencia e a Tecnologia, Portugal; JINR, Dubna; the Ministry of Education and Science of the Russian Federation, the Federal Agency of Atomic Energy of the Russian Federation, Russian Academy of Sciences, and the Russian Foundation for Basic Research; the Ministry of Education, Science and Technological Development of Serbia; the Secretaria de Estado de Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio 2010, Spain; the Swiss Funding Agencies (ETH Board, ETH Zurich, PSI, SNF, UniZH, Canton Zurich, and SER); the National Science Council, Taipei; the Thailand Center of Excellence in Physics, the Institute for the Promotion of Teaching Science and Technology of Thailand, Special Task Force for Activating Research and the National Science and Technology Development Agency of Thailand; the Scientific and Technical Research Council of Turkey, and Turkish Atomic Energy Authority; the Science and Technology Facilities Council, UK; the US Department of Energy, and the US National Science Foundation. Individuals have received support from the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A. P.; Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); the HOMING PLUS programme of Foundation for Polish Science, cofinanced by EU, Regional Development Fund; and the Thalis and Aristeia programmes cofinanced by EU-ESF and the Greek NSRF. NR 50 TC 24 Z9 24 U1 6 U2 79 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD JUL 23 PY 2014 VL 74 IS 7 AR 2951 DI 10.1140/epjc/s10052-014-2951-y PG 26 WC Physics, Particles & Fields SC Physics GA AM4DX UT WOS:000339804100001 ER PT J AU Yoon, Y Rousseau, R Weber, RS Mei, DH Lercher, JA AF Yoon, Yeohoon Rousseau, Roger Weber, Robert S. Mei, Donghai Lercher, Johannes A. TI First-Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID DENSITY-FUNCTIONAL THEORY; WORK FUNCTION; MOLECULAR-TRANSFORMATIONS; HETEROGENEOUS CATALYSIS; WATER-MOLECULES; 1ST PRINCIPLES; ADSORPTION; INTERFACE; SURFACES; HYDRODEOXYGENATION AB The effect of an aqueous phase on phenol hydrogenation over Pt and Ni catalysts was investigated using density functional theory-based ab initio molecular dynamics calculations. The adsorption of phenol and the addition of the first and second hydrogen adatoms to three, ring carbon positions (ortho, meta, and para with respect to the phenolic OH group) were explored in both vacuum and liquid water. The major change in the electronic structure of both Pt(111) and Ni(111) surfaces, between a gaseous and liquid phase environment, results from a repulsion between the electrons of the liquid water and the diffuse tail of electron density emanating from the metal surface. The redistribution of the metal's electrons toward the subsurface layer lowers the metal work function by about 1 eV. The lower work function gives the liquid-covered metal a higher chemical reduction strength and, in consequence, a lower oxidation strength, which, in turn lowers the phenol adsorption energy, despite the stabilizing influence of the solvation of the partly positively charged adsorbate. At both the solid/vapor and the solid/water interface, H adatom addition involves neutral H atom transfer hence the reaction barriers for adding H adatoms to phenol are lowered by only 10-20 kJ/mol, due to a small stabilizing at the transition state. More importantly, the liquid environment significantly influences the relative energetics of charged, surface-bound intermediates and of proton-transfer reactions like keto/enol isomerization. For phenol hydrogenation, solvation in water results in an energetic preference to form ketones as a result of tautomerization of surface-bound enol intermediates. C1 [Yoon, Yeohoon; Rousseau, Roger; Weber, Robert S.; Mei, Donghai; Lercher, Johannes A.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. [Lercher, Johannes A.] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany. [Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Inst, D-85747 Garching, Germany. RP Rousseau, R (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. EM roger.rousseau@pnnl.gov; donghai.mei@pnnl.gov; Johannes.lercher@pnnl.gov RI Rousseau, Roger/C-3703-2014; Mei, Donghai/A-2115-2012; Mei, Donghai/D-3251-2011 OI Mei, Donghai/0000-0002-0286-4182; FU US Department of Energy; Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office; DOE [AC0676RLO1830]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; DOE's Office of Biological and Environmental Research FX This work was supported by the US Department of Energy, Y.Y., D.H.M., and J.L. were supported by Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences and R.R. and R.S.W. were supported by Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle under contract AC0676RLO1830. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE's Office of Biological and Environmental Research. NR 60 TC 46 Z9 46 U1 21 U2 216 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 23 PY 2014 VL 136 IS 29 BP 10287 EP 10298 DI 10.1021/ja501592y PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA AL9OZ UT WOS:000339471900026 PM 24987925 ER PT J AU Osborn, DL Vogelhuber, KM Wren, SW Miller, EM Lu, YJ Case, AS Sheps, L McMahon, RJ Stanton, JF Harding, LB Ruscic, B Lineberger, WC AF Osborn, David L. Vogelhuber, Kristen M. Wren, Scott W. Miller, Elisa M. Lu, Yu-Ju Case, Amanda S. Sheps, Leonid McMahon, Robert J. Stanton, John F. Harding, Lawrence B. Ruscic, Branko Lineberger, W. Carl TI Electronic States of the Quasilinear Molecule Propargylene (HCCCH) from Negative Ion Photoelectron Spectroscopy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID DIFFUSE INTERSTELLAR BANDS; AB-INITIO; GAS-PHASE; PROPADIENYLIDENE H2C=C=C; ASTRONOMICAL DETECTION; TRIPLET PROPYNYLIDENE; C3H2 ISOMERS; H2CCC; CYCLOPROPENYLIDENE; SPECTRUM AB We use gas-phase negative ion photoelectron spectroscopy to study the quasilinear carbene propargylene, HCCCH, and its isotopologue DCCCD. Photodetachment from HCCCH- affords the (X) over bar(B-3) ground state of HCCCH and its (a) over tilde((1)A), (b) over tilde (B-1), (d) over tilde((1)A(2)), and (B) over tilde((3)A(2)) excited states. Extended, negatively anharrnonic vibrational progressions in the (b) over tilde(B-3) ground state and the open-shell singlet (b) over tilde (B-1) state arise from the change in geometry between the anion and the neutral states and complicate the assignment of the origin peak. The geometry change arising from electron photodetachment results in excitation of the v(4) symmetric CCH bending mode, with a measured fundamental frequency of 363 +/- 57 cm(-1) in the X(B-3) state. Our calculated harmonic frequency for this mode is 359 cm(-1). The Franck-Condon envelope of this progression cannot be reproduced within the harmonic approximation. The spectra of the (a) over bar((1)A), (d) over bar((1)A2), and (B) over bar((3)A(2)) states are each characterized by a short vibrational progression and a prominent origin peak, establishing that the geometries of the anion and these neutral states are similar. Through comparison of the HCCCH- and DCCCD- photoelectron spectra, we measure the electron affinity of HCCCH to be 1.156 +/- (0.010)(0.095) eV, with a singlet triplet splitting between the (X) over tilde(B-3) and the a((1)A) states of Delta E-ST = 0.500 +/- (0.10)(0.1)eV (11.5 + +/- (2.3)(0.2) kcal/mol). Experimental term energies of the higher excited states are T-0 [(b) over tilde(B-1)] = 0.94 + (0.22)(0.20) eV, T-0 [(d) over tilde((1)A(2))] = 3.30 + R:geV, T-0 [(B) over tilde((3)A(2))] = 3.58 +/- (0.10)(0.02) eV. The photoelectron angular distributions show significant g character in all the frontier molecular orbitals, with additional a character in orbitals that create the (X) over tilde(B-3) and b(B-1) states upon electron detachment. These results are consistent with a quasilinear, nonplanar, doubly allylic structure of X(3B) HCCCH with both diradical and carbene character. C1 [Osborn, David L.; Sheps, Leonid] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Osborn, David L.; Vogelhuber, Kristen M.; Wren, Scott W.; Miller, Elisa M.; Lu, Yu-Ju; Case, Amanda S.; Lineberger, W. Carl] Univ Colorado, JILA, Boulder, CO 80309 USA. [Osborn, David L.; Vogelhuber, Kristen M.; Wren, Scott W.; Miller, Elisa M.; Lu, Yu-Ju; Case, Amanda S.; Lineberger, W. Carl] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [McMahon, Robert J.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Stanton, John F.] Univ Texas Austin, Inst Theoret Chem, Dept Chem & Biochem, Austin, TX 78712 USA. [Harding, Lawrence B.; Ruscic, Branko] Argonne Natl Lab, Div Chem Sci & Engn, Argonne, IL 60439 USA. RP Osborn, DL (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM dlosbor@sandia.gov; wcl@jila.colorado.edu RI Ruscic, Branko/A-8716-2008 OI Ruscic, Branko/0000-0002-4372-6990 FU Division of Chemical Sciences, Geosciences, and Biosciences; Office of Basic Energy Sciences; U.S. Department of Energy; National Nuclear Security Administration [DE-AC04-94-AL85000]; RIM; U.S. National Science Foundation [CHE-1011959]; Robert A Welch Foundation [F-1283]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357]; NSF [PHY1125844, CHE1213862]; AFOSR [FA9550-12-1-0125] FX This article is dedicated to the memory of Professor Charles H. DePuy (1927-2013). D.L.O. gratefully acknowledges a JILA Visiting Fellowship during which this data was collected, and support by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. RIM. gratefully acknowledges a JILA Visiting Fellowship, as well as support from the U.S. National Science Foundation (CHE-1011959). J.F.S. gratefully acknowledges support from the Robert A Welch Foundation (Grant F-1283). L.B.H. and B.R. gratefully acknowledge support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract No. DE-AC02-06CH11357. W.C.L. gratefully acknowledges support from NSF (PHY1125844 and CHE1213862) and AFOSR (FA9550-12-1-0125) for significant contributions to this project. NR 75 TC 6 Z9 6 U1 7 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 23 PY 2014 VL 136 IS 29 BP 10361 EP 10372 DI 10.1021/ja5039984 PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA AL9OZ UT WOS:000339471900033 PM 25009990 ER PT J AU White, PB Wang, T Park, YB Cosgrove, DJ Hong, M AF White, Paul B. Wang, Tuo Park, Yong Bum Cosgrove, Daniel J. Hong, Mei TI Water-Polysaccharide Interactions in the Primary Cell Wall of Arabidopsis thaliana from Polarization Transfer Solid-State NMR SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ANGLE-SPINNING NMR; PROTEIN INTERACTIONS; MICROCRYSTALLINE CRH; MEMBRANE PEPTIDES; POLYMER MOBILITY; MAS NMR; SPECTROSCOPY; HYDRATION; DIFFUSION; RESONANCE AB Polysaccharide-rich plant cell walls are hydrated under functional conditions, but the molecular interactions between water and polysaccharides in the wall have not been investigated. In this work, we employ polarization transfer solid-state NMR techniques to study the hydration of primary-wall polysaccharides of the model plant, Arabidopsis thaliana. By transferring water H-1 polarization to polysaccharides H-1-H-1 through distance- and mobility-dependent H-1-H-1 dipolar couplings and detecting it through polysaccharide C-13 signals, we obtain information about water proximity to cellulose, hemicellulose, and pectins as well as water mobility. Both intact and partially extracted cell wall samples are studied. Our results show that water-pectin polarization transfer is much faster than water cellulose polarization transfer in all samples, but the extent of extraction has a profound impact on the water-polysaccharide spin diffusion. Removal of calcium ions and the consequent extraction of homogalacturonan (HG) significantly slowed down spin diffusion, while further extraction of matrix polysaccharides restored the spin diffusion rate. These trends are observed in cell walls with similar water content, thus they reflect inherent differences in the mobility and spatial distribution of water. Combined with quantitative analysis of the polysaccharide contents, our results indicate that calcium ions and HG gelation increase the amount of bound water, which facilitates spin diffusion, while calcium removal disrupts the gel and gives rise to highly dynamic water, which slows down spin diffusion. The recovery of spin diffusion rates after more extensive extraction is attributed to increased water-exposed surface areas of the polysaccharides. Water pectin spin diffusion precedes water cellulose spin diffusion, lending support to the single-network model of plant primary walls in which a substantial fraction of the cellulose surface is surrounded by pectins. C1 [White, Paul B.; Wang, Tuo; Hong, Mei] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [White, Paul B.; Wang, Tuo; Hong, Mei] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Park, Yong Bum; Cosgrove, Daniel J.] Penn State Univ, Dept Biol, University Pk, PA 16802 USA. RP Hong, M (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM meihong@mit.edu FU DOE-BES [DE-AC02-07CH11358, DE-FG02-84ER13179]; US-DOE-BES-EFRC [DE-SC0001090] FX Work at the Ames Laboratory is supported by DOE-BES under contract no. DE-AC02-07CH11358. Work at Penn State is supported by DOE-BES grant DE-FG02-84ER13179. Y.B.P. was supported by US-DOE-BES-EFRC Award DE-SC0001090. NR 54 TC 18 Z9 18 U1 5 U2 70 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 23 PY 2014 VL 136 IS 29 BP 10399 EP 10409 DI 10.1021/ja504108h PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA AL9OZ UT WOS:000339471900037 PM 24984197 ER PT J AU Wang, HL Sapi, A Thompson, CM Liu, FD Zherebetskyy, D Krier, JM Carl, LM Cai, XJ Wang, LW Somorjai, GA AF Wang, Hailiang Sapi, Andras Thompson, Christopher M. Liu, Fudong Zherebetskyy, Danylo Krier, James M. Carl, Lindsay M. Cai, Xiaojun Wang, Lin-Wang Somorjai, Gabor A. TI Dramatically Different Kinetics and Mechanism at Solid/Liquid and Solid/Gas Interfaces for Catalytic Isopropanol Oxidation over Size-Controlled Platinum Nanoparticles SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXYGEN REDUCTION REACTION; SUM-FREQUENCY GENERATION; PARTICLE-SIZE; STRUCTURE SENSITIVITY; REACTION SELECTIVITY; METHANOL OXIDATION; METAL-CATALYSTS; GAS-PHASE; HYDROGENATION; 2-PROPANOL AB We synthesize platinum nanoparticles with controlled average sizes of 2, 4, 6, and 8 nm and use them as model catalysts to study isopropanol oxidation to acetone in both the liquid and gas phases at 60 degrees C. The reaction at the solid/liquid interface is 2 orders of magnitude slower than that at the solid/gas interface, while catalytic activity increases with the size of platinum nanoparticles for both the liquid-phase and gas-phase reactions. The activation energy of the gas-phase reaction decreases with the platinum nanoparticle size and is in general much higher than that of the liquid-phase reaction which is largely insensitive to the size of catalyst nanoparticles. Water substantially promotes isopropanol oxidation in the liquid phase. However, it inhibits the reaction in the gas phase. The kinetic results suggest different mechanisms between the liquid-phase and gas-phase reactions, correlating well with different orientations of IPA species at the solid/liquid interface vs the solid/gas interface as probed by sum frequency generation vibrational spectroscopy under reaction conditions and simulated by computational calculations. C1 [Wang, Hailiang; Sapi, Andras; Thompson, Christopher M.; Liu, Fudong; Krier, James M.; Carl, Lindsay M.; Cai, Xiaojun; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Wang, Hailiang; Sapi, Andras; Thompson, Christopher M.; Liu, Fudong; Zherebetskyy, Danylo; Krier, James M.; Carl, Lindsay M.; Cai, Xiaojun; Wang, Lin-Wang; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Liu, Fudong/H-2050-2012; Zherebetskyy, Danylo/B-3404-2015; Cai, Xiaojun/C-1864-2015; Sapi, Andras/G-3527-2015 OI Cai, Xiaojun/0000-0002-3802-8389; Sapi, Andras/0000-0001-6557-0731 FU Office of Basic Energy Sciences, Materials Science and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231.]; Philomathia Postdoctoral Fellowship FX This work was supported by the Director, Office of Basic Energy Sciences, Materials Science and Engineering Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. H.W. acknowledges support from the Philomathia Postdoctoral Fellowship. NR 26 TC 20 Z9 20 U1 9 U2 83 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 23 PY 2014 VL 136 IS 29 BP 10515 EP 10520 DI 10.1021/ja505641r PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AL9OZ UT WOS:000339471900050 PM 24992695 ER PT J AU Resasco, J Dasgupta, NP Rosell, JR Guo, JH Yang, PD AF Resasco, Joaquin Dasgupta, Neil P. Rosell, Josep Roque Guo, Jinghua Yang, Peidong TI Uniform Doping of Metal Oxide Nanowires Using Solid State Diffusion SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ATOMIC LAYER DEPOSITION; OXYGEN EVOLUTION ELECTROCATALYSIS; SEMICONDUCTOR NANOWIRES; WATER OXIDATION; REDUCTION; SURFACES; GROWTH; TIO2; SPECTROSCOPY; TIO2(110) AB The synthesis of one-dimensional nanostructures with specific properties is often hindered by difficulty in tuning the material composition without sacrificing morphology and material quality. Here, we present a simple solid state diffusion method utilizing atomic layer deposition to controllably alter the composition of metal oxide nanowires. This compositional control allows for modification of the optical, electronic, and electrochemical properties of the semiconductor nanowires. Using this method and a novel process for manganese oxide atomic layer deposition, we produced manganese-doped rutile TiO2 nanowires and investigated their structural and photoelectrochemical properties. A homogeneous incorporation of the Mn dopant into the rutile lattice was observed, and the local chemical environment of the Mn was determined using X-ray absorption spectroscopy. The doping process resulted in a tunable enhancement in the electrocatalytic activity for water oxidation, demonstrating that this simple and general method can be used to control the properties of one-dimensional nanostructures for use in a variety of applications including solar-to-fuel generation. C1 [Resasco, Joaquin] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Dasgupta, Neil P.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Dasgupta, Neil P.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Rosell, Josep Roque; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Roque Rosell, Josep/C-7868-2013; Foundry, Molecular/G-9968-2014 OI Roque Rosell, Josep/0000-0002-3518-1329; FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation Graduate Research Fellowship Program (NSF GRFP) [DGE-0802270]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the SunShot Solar Energy Technologies Program FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231(P-Chem). We thank the Molecular Foundry and Advanced Light Source at Lawrence Berkeley National Laboratory for use of their facilities. We would especially like to thank Dr. Matthew Marcus at the Advanced Light Source and Dr. Shaul Aloni at the Molecular Foundry. We thank Dr. Chong Liu for helpful discussions, and Nigel Becknell and Nick Kornienko for helping run XAS experiments. J.R. gratefully acknowledges the support of the National Science Foundation Graduate Research Fellowship Program (NSF GRFP) under Grant No. DGE-0802270. N.P.D. acknowledges support from the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the SunShot Solar Energy Technologies Program. NR 35 TC 15 Z9 15 U1 8 U2 131 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 23 PY 2014 VL 136 IS 29 BP 10521 EP 10526 DI 10.1021/ja505734s PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AL9OZ UT WOS:000339471900051 PM 25026188 ER PT J AU Sherman, KE Guedj, J Shata, MT Blackard, JT Rouster, SD Castro, M Feinberg, J Sterling, RK Goodman, Z Aronow, BJ Perelson, AS AF Sherman, Kenneth E. Guedj, Jeremie Shata, Mohamed Tarek Blackard, Jason T. Rouster, Susan D. Castro, Mario Feinberg, Judith Sterling, Richard K. Goodman, Zachary Aronow, Bruce J. Perelson, Alan S. TI Modulation of HCV replication after combination antiretroviral therapy in HCV/HIV co-infected patients SO SCIENCE TRANSLATIONAL MEDICINE LA English DT Article ID HUMAN-IMMUNODEFICIENCY-VIRUS; HEPATITIS-C; COINFECTED PATIENTS; LIVER-INJURY; IMMUNE-RESPONSES; HIV-INFECTION; RNA; PLASMA; HAART; HEMOPHILIACS AB The hepatitis C virus (HCV) is an important contributor to morbidity and mortality in patients co-infected with HIV. Co-infection results in increased HCV replication and more rapid rates of liver disease progression. The effect of HIV combination antiretroviral therapy (cART) on HCV replication has not been studied in depth. To address this issue, we enrolled a small cohort of HCV/HIV co-infected patients into a cART initiation trial and used dynamic modeling combined with evaluation of immune responses and microarray profiles to determine how effective treatment of HIV affects HCV. Treatment with cART resulted in increased HCV replication and increased alanine aminotransferase (ALT) in a subset of patients. Subjects with evidence of hepatic injury (increased ALT) were more likely to have HCV-specific immune responses directed against HCV epitopes. Over time, HCV viral loads declined. Reproducible and biologically important gene expression changes occurred in co-infected patients who underwent successful cART. The effective suppression of HIV by cART initiated a cascade of early and late events in treated patients. Early events involving down-regulation of interferon-stimulated genes may have led to transiently increased viral replication and hepatic injury. At later time points, HCV viral load declined to levels comparable to those seen in the setting of HCV monoinfection. These findings support early antiretroviral therapy in those with HCV/HIV co-infection. C1 [Sherman, Kenneth E.; Shata, Mohamed Tarek; Blackard, Jason T.; Rouster, Susan D.; Feinberg, Judith] Univ Cincinnati, Coll Med, Cincinnati, OH 45267 USA. [Guedj, Jeremie; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Guedj, Jeremie] Univ Paris 06, INSERM, F-75013 Paris, France. [Guedj, Jeremie] Univ Paris Diderot, Sorbonne Paris Cite, Unite Mixte Rech, F-75013 Paris, France. [Castro, Mario] Univ Pontificia Comillas, Escuela Tecn Super Ingn, Madrid 28015, Spain. [Sterling, Richard K.] Virginia Commonwealth Univ, Richmond, VA 23284 USA. [Goodman, Zachary] Inova Fairfax Hosp, Ctr Liver Dis, Falls Church, VA 22042 USA. [Aronow, Bruce J.] Cincinnati Childrens Hosp Med Ctr, Cincinnati, OH 45229 USA. RP Sherman, KE (reprint author), Univ Cincinnati, Coll Med, Cincinnati, OH 45267 USA. EM kenneth.sherman@uc.edu RI Castro, Mario/A-3585-2009; Guedj, Jeremie/A-6842-2017 OI Castro, Mario/0000-0003-3288-6144; Guedj, Jeremie/0000-0002-5534-5482 FU National Institute of Allergy and Infectious Diseases [R01AI065256]; U.S. Public Health Service from the National Center for Research Resources, NIH [UL1 RR026314]; National Center for Research Resources; National Center for Advancing Translational Sciences, NIH [8 UL1TR000077-04]; NIH [OD011095, AI028433]; Ministerio de Ciencia e Innovacion [FIS2009-12964-C05-03 BFU2009-08009, FP7 PIRSES-GA-2008-230665, PIRSES-GA2012-317893]; U.S. Department of Energy [DE-AC52-06NA25396] FX This study was supported by grant R01AI065256 from the National Institute of Allergy and Infectious Diseases (K.E.S.) and in part by U.S. Public Health Service grant UL1 RR026314 (K.E.S.) from the National Center for Research Resources, NIH. The project was also supported by the National Center for Research Resources and the National Center for Advancing Translational Sciences, NIH, through grant 8 UL1TR000077-04 (K.E.S.), as well as NIH grants OD011095 (A.S.P.) and AI028433 (A.S.P.). M.C. was partially supported by grants FIS2009-12964-C05-03 BFU2009-08009 from the Ministerio de Ciencia e Innovacion, FP7 PIRSES-GA-2008-230665, and PIRSES-GA2012-317893. Portions of this work were performed under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396 (A.S.P.). The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institute of Allergy and Infectious Diseases or the NIH. Bristol-Myers Squibb and Gilead Sciences Inc. provided antiretroviral medications at no charge. They had no role in the design, performance, or interpretation of this study. NR 37 TC 5 Z9 5 U1 0 U2 3 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 1946-6234 EI 1946-6242 J9 SCI TRANSL MED JI Sci. Transl. Med. PD JUL 23 PY 2014 VL 6 IS 246 AR 246ra98 DI 10.1126/scitranslmed.3008195 PG 8 WC Cell Biology; Medicine, Research & Experimental SC Cell Biology; Research & Experimental Medicine GA AM2EH UT WOS:000339661400005 PM 25101888 ER PT J AU Biener, MM Ye, JC Baumann, TF Wang, YM Shin, SJ Biener, J Hamza, AV AF Biener, Monika M. Ye, Jianchao Baumann, Theodore F. Wang, Y. Morris Shin, Swanee J. Biener, Juergen Hamza, Alex V. TI Ultra-strong and Low-Density Nanotubular Bulk Materials with Tunable Feature Sizes SO ADVANCED MATERIALS LA English DT Article ID ATOMIC LAYER DEPOSITION; MECHANICAL-PROPERTIES; NANOPOROUS SILICA; LOW-TEMPERATURE; AEROGELS; MONOLITHS; FRAMEWORK; FILMS AB The synthesis of ultralow-density (>5 mg/cm(3)) bulk materials with inter-connected nanotubular morphology and deterministic, fully tunable feature size, composition, and density is presented. A thin-walled nanotubular design realized by employing templating based on atomic layer deposition makes the material about 10 times stronger and stiffer than aerogels of the same density. C1 [Biener, Monika M.; Ye, Jianchao; Baumann, Theodore F.; Wang, Y. Morris; Shin, Swanee J.; Biener, Juergen; Hamza, Alex V.] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. RP Biener, MM (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, 7000 East Ave, Livermore, CA 94550 USA. EM biener3@llnl.gov RI Wang, Yinmin (Morris)/F-2249-2010 OI Wang, Yinmin (Morris)/0000-0002-7161-2034 FU U.S. DOE by LLNL [DE-AC52-07NA27344]; LDRD Program at LLNL [13-LWD-031] FX Work at LLNL was performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. Project 13-LWD-031 was funded by the LDRD Program at LLNL. We gratefully acknowledge Prof. Andrea Hodge, University of Southern California, who provided polished samples for mechanical testing. Additional information regarding the synthesis and characterization of the materials can be found in the Supplementary Materials. NR 36 TC 14 Z9 14 U1 9 U2 81 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD JUL 23 PY 2014 VL 26 IS 28 BP 4808 EP + DI 10.1002/adma.201400249 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AM2EJ UT WOS:000339661600006 PM 24888421 ER PT J AU Lam, PY Lim, CJ Sokhansanj, S Lam, PS Stephen, JD Pribowo, A Mabee, WE AF Lam, Pak Yiu Lim, C. Jim Sokhansanj, Shahab Lam, Pak Sui Stephen, James D. Pribowo, Amadeus Mabee, Warren E. TI Leaching Characteristics of Inorganic Constituents from Oil Palm Residues by Water SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID FRUIT-BUNCH EFB; BIOMASS; COMBUSTION; REMOVAL; COCOMBUSTION; KINETICS; ASH AB Oil palm residues are not currently suitable as feedstock for thermal energy generation because their high ash content can cause slagging, corrosion, and fouling. A water leaching treatment is a potential strategy to reduce the ash content in these residues. This study evaluates the effects of the duration and temperature of water leaching on two types of oil palm residues, namely, empty fruit bunches (EFBs) and palm kernel shells (PKSs). The optimum process duration for ash removal from EFBs was found to be 5 min, as the effect of convection on scrubbing was observed to remove substantial ash from the substrate during this period. A cross-flow model with estimated kinetic parameters of water leaching for EFB and PKS was developed and showed that three leaching stages of EFB achieved the greatest ash reduction from 5.47% to 2.63%. A low ash content of PKS showed no value for ash removal in any leaching process. Although there was no significance in the total ash reduction due to temperature effects, the leaching treatment was found to be most effective in reducing potassium, from 2.42% to 0.69% and 0.36% at 25 and 55 degrees C, respectively. C1 [Lam, Pak Yiu; Lim, C. Jim; Sokhansanj, Shahab; Lam, Pak Sui] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Stephen, James D.; Mabee, Warren E.] Queens Univ, Queens Inst Energy & Environm Policy, Kingston, ON K7L 3N6, Canada. [Pribowo, Amadeus] Univ British Columbia, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada. [Stephen, James D.; Pribowo, Amadeus; Mabee, Warren E.] TorchLight Bioresources Inc, Toronto, ON M2N 7E9, Canada. RP Lam, PS (reprint author), Univ British Columbia, Dept Chem & Biol Engn, 2360 East Mall, Vancouver, BC V6T 1Z3, Canada. EM wilsonlam007@gmail.com FU Natural Sciences and Engineering Research Council of Canada (NSERC, ENGAGE Grant); TorchLight Bioresources Inc., Toronto, Ontario; Office of Biomass Program of the U.S. Department of Energy FX This research was funded in part by the Natural Sciences and Engineering Research Council of Canada (NSERC, ENGAGE Grant) and TorchLight Bioresources Inc., Toronto, Ontario. The authors thank the Palm Oil Industrial Cluster (POIC) Sabah Sdn Bhd of Lahad Datu, Malaysia, for providing material samples. The authors also acknowledge support from the Office of Biomass Program of the U.S. Department of Energy. NR 20 TC 3 Z9 3 U1 3 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD JUL 23 PY 2014 VL 53 IS 29 BP 11822 EP 11827 DI 10.1021/ie500769s PG 6 WC Engineering, Chemical SC Engineering GA AL9OV UT WOS:000339471500027 ER PT J AU Basistyy, R Stanislavchuk, TN Sirenko, AA Litvinchuk, AP Kotelyanskii, M Carr, GL Lee, N Wang, X Cheong, SW AF Basistyy, R. Stanislavchuk, T. N. Sirenko, A. A. Litvinchuk, A. P. Kotelyanskii, M. Carr, G. L. Lee, N. Wang, X. Cheong, S. -W. TI Infrared-active optical phonons and magnetic excitations in the hexagonal manganites RMnO3 (R = Ho, Er, Tm, Yb, and Lu) SO PHYSICAL REVIEW B LA English DT Article ID 2ND-HARMONIC GENERATION; HOMNO3; YMNO3; RAMAN; DIFFRACTION; EVOLUTION; SYMMETRY; PHASE AB Optical properties of hexagonal multiferroic oxides RMnO3, where R = Ho, Er, Tm, Yb, and Lu, have been studied in the far-infrared spectral range between 100 and 2000 cm(-1) and temperatures between 1.5 and 300 K by means of several experimental techniques: Mueller matrix spectroscopic ellipsometry, rotating analyzer ellipsometry, and optical transmission spectroscopy. Spectra of the optical phonons are described in terms of the temperature dependencies of their frequency, damping, and oscillator strength. For all studies, oxide materials' clear signatures of the spin-phonon interaction have been found below the temperature of the antiferromagnetic phase transition T-N due to magnetic ordering of Mn3+ spins. A decrease of the ionic radius for R3+ ions between Ho3+ and Lu3+ in the corresponding RMnO3 compounds resulted in systematic variation of the frequency for several optical phonons. A magnetic excitation at similar to 190 cm(-1) was observed at low temperatures below T-N and interpreted as resulting from two-magnon absorption. C1 [Basistyy, R.; Stanislavchuk, T. N.; Sirenko, A. A.] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. [Litvinchuk, A. P.] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA. [Litvinchuk, A. P.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Kotelyanskii, M.] Rudolph Technol Inc, Flanders, NJ 07836 USA. [Carr, G. L.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Lee, N.; Wang, X.; Cheong, S. -W.] Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. [Lee, N.; Wang, X.; Cheong, S. -W.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Basistyy, R (reprint author), New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. EM rb275@njit.edu RI Litvinchuk, Alexander/K-6991-2012 OI Litvinchuk, Alexander/0000-0002-5128-5232 FU US Department of Energy [DE-FG02-07ER46382, DE-AC02-98CH10886]; State of Texas though the Texas Center for Superconductivity at the University of Houston FX The authors are thankful to Eric Standard for help with data collection and to Sergey Artyukhin for useful discussions. Experimental work at New Jersey Institute of Technology and Rutgers University was supported by the US Department of Energy under Contract No. DE-FG02-07ER46382. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the US Department of Energy under Contract No. DE-AC02-98CH10886. A.P.L. acknowledges the support of the State of Texas though the Texas Center for Superconductivity at the University of Houston. NR 66 TC 3 Z9 3 U1 4 U2 76 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 23 PY 2014 VL 90 IS 2 AR 024307 DI 10.1103/PhysRevB.90.024307 PG 12 WC Physics, Condensed Matter SC Physics GA AM1OD UT WOS:000339615400002 ER PT J AU Zhang, Q Singh, K Simon, C Tung, LD Balakrishnan, G Hardy, V AF Zhang, Q. Singh, K. Simon, C. Tung, L. D. Balakrishnan, G. Hardy, V. TI Impact of the various spin- and orbital-ordering processes on the multiferroic properties of orthovanadate DyVO3 SO PHYSICAL REVIEW B LA English DT Article ID ELECTRIC-FIELD; FERROELECTRICITY; FLUCTUATIONS; TEMPERATURE; PEROVSKITES; CRYSTAL; FERRITE AB The orthovanadate DyVO3 crystal, known to exhibit multiple structural, spin-, and orbital-ordering transitions, is presently investigated on the basis of magnetization, heat capacity, resistivity, dielectric, and polarization measurements. Our main result is experimental evidence for the existence of multiferroicity below a high T-C of 108 K over a wide temperature range including different spin-orbital-ordered states. The onset of ferroelectricity is found to coincide with the antiferromagnetic C-type spin-ordering transition taking place at 108 K, which indicates that DyVO3 belongs to type-II multiferroics exhibiting a coupling between magnetism and ferroelectricity. Some anomalies detected on the temperature dependence of electric polarization are discussed with respect to the nature of the spin-orbital-ordered states of the V sublattice and the degree of spin alignment in the Dy sublattice. The orthovanadates RVO3 (R = rare earth or Y) form an important new category for searching for high-T-C multiferroics. C1 [Zhang, Q.; Singh, K.; Hardy, V.] CNRS ENSICAEN, UMR 6508, Lab CRISMAT, F-14052 Caen 4, France. [Zhang, Q.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Zhang, Q.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Singh, K.] UGC DAE Consortium Sci Res, Indore 452001, Madhya Pradesh, India. [Simon, C.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Tung, L. D.; Balakrishnan, G.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. RP Zhang, Q (reprint author), CNRS ENSICAEN, UMR 6508, Lab CRISMAT, 6 Blvd Marechal Juin, F-14052 Caen 4, France. EM qzhangemail@gmail.com RI simon, charles/M-9078-2016; Balakrishnan, Geetha/P-5977-2016; OI simon, charles/0000-0002-1033-1183; Balakrishnan, Geetha/0000-0002-5890-1149; Zhang, Qiang/0000-0003-0389-7039 FU European project "SOPRANO" under Marie Curie actions [PITNGA-2008-214040]; French project "PR Refrigeration Magnetique" FX This work has been supported by the European project "SOPRANO" under Marie Curie actions (Grant No. PITNGA-2008-214040) and French project "PR Refrigeration Magnetique." We thank F. Guillou for his instructions on the heat capacity measurements, L. Herve for aligning single crystal in different orientations, and also F. Veillon for the resistivity measurements. NR 74 TC 8 Z9 8 U1 5 U2 34 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 23 PY 2014 VL 90 IS 2 AR 024418 DI 10.1103/PhysRevB.90.024418 PG 9 WC Physics, Condensed Matter SC Physics GA AM1OD UT WOS:000339615400003 ER PT J AU Aaltonen, T Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Appel, JA Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Auerbach, B Aurisano, A Azfar, F Badgett, W Bae, T Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bauce, M Bedeschi, F Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Bhatti, A Bland, KR Blumenfeld, B Bocci, A Bodek, A Bortoletto, D Boudreau, J Boveia, A Brigliadori, L Bromberg, C Brucken, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Butti, P Buzatu, A Calamba, A Camarda, S Campanelli, M Canelli, F Carls, B Carlsmith, D Carosi, R Carrillo, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chen, YC Chertok, M Chiarelli, G Chlachidze, G Cho, K Chokheli, D Clark, A Clarke, C Convery, ME Conway, J Corbo, M Cordelli, M Cox, CA Cox, DJ Cremonesi, M Cruz, D Cuevas, J Culbertson, R d'Ascenzo, N Datta, M de Barbaro, P Demortier, L Deninno, M D'Errico, M Devoto, F Di Canto, A Di Ruzza, B Dittmann, JR Donati, S D'Onofrio, M Dorigo, M Driutti, A Ebina, K Edgar, R Elagin, A Erbacher, R Errede, S Esham, B Farrington, S Ramos, JPF Field, R Flanagan, G Forrest, R Franklin, M Freeman, JC Frisch, H Funakoshi, Y Galloni, C Garfinkel, AF Garosi, P Gerberich, H Gerchtein, E Giagu, S Giakoumopoulou, V Gibson, K Ginsburg, CM Giokaris, N Giromini, P Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldin, D Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Lopez, OG Gorelov, I Goshaw, AT Goulianos, K Gramellini, E Grinstein, S Grosso-Pilcher, C Group, RC da Costa, JG Hahn, SR Han, JY Happacher, F Hara, K Hare, M Harr, RF Harrington-Taber, T Hatakeyama, K Hays, C Heinrich, J Herndon, M Hocker, A Hong, Z Hopkins, W Hou, S Hughes, RE Husemann, U Hussein, M Huston, J Introzzi, G Iori, M Ivanov, A James, E Jang, D Jayatilaka, B Jeon, EJ Jindariani, S Jones, M Joo, KK Jun, SY Junk, TR Kambeitz, M Kamon, T Karchin, PE Kasmi, A Kato, Y Ketchum, W Keung, J Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SH Kim, SB Kim, YJ Kim, YK Kimura, N Kirby, M Knoepfel, K Kondo, K Kong, DJ Konigsberg, J Kotwal, AV Kreps, M Kroll, J Kruse, M Kuhr, T Kurata, M Laasanen, AT Lammel, S Lancaster, M Lannon, K Latino, G Lee, HS Lee, JS Leo, S Leone, S Lewis, JD Limosani, A Lipeles, E Lister, A Liu, H Liu, Q Liu, T Lockwitz, S Loginov, A Lucchesi, D Luca, A Lueck, J Lujan, P Lukens, P Lungu, G Lys, J Lysak, R Madrak, R Maestro, P Malik, S Manca, G Manousakis-Katsikakis, A Marchese, L Margaroli, F Marino, P Martinez, M Matera, K Mattson, ME Mazzacane, A Mazzanti, P McNulty, R Mehta, A Mehtala, P Mesropian, C Miao, T Mietlicki, D Mitra, A Miyake, H Moed, S Moggi, N Moon, CS Moore, R Morello, MJ Mukherjee, A Muller, T Murat, P Mussini, M Nachtman, J Nagai, Y Naganoma, J Nakano, I Napier, A Nett, J Neu, C Nigmanov, T Nodulman, L Noh, SY Norniella, O Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Ortolan, L Pagliarone, C Palencia, E Palni, P Papadimitriou, V Parker, W Pauletta, G Paulini, M Paus, C Phillips, TJ Piacentino, G Pianori, E Pilot, J Pitts, K Plager, C Pondrom, L Poprocki, S Potamianos, K Pranko, A Prokoshin, F Ptohos, F Punzi, G Ranjan, N Fernandez, IR Renton, P Rescigno, M Rimondi, F Ristori, L Robson, A Rodriguez, T Rolli, S Ronzani, M Roser, R Rosner, JL Ruffini, F Ruiz, A Russ, J Rusu, V Sakumoto, WK Sakurai, Y Santi, L Sato, K Saveliev, V Savoy-Navarro, A Schlabach, P Schmidt, EE Schwarz, T Scodellaro, L Scuri, F Seidel, S Seiya, Y Semenov, A Sforza, F Shalhout, SZ Shears, T Shepard, PF Shimojima, M Shochet, M Shreyber-Tecker, I Simonenko, A Sliwa, K Smith, JR Snider, FD Song, H Sorin, V Denis, RS Stancari, M Stentz, D Strologas, J Sudo, Y Sukhanov, A Suslov, I Takemasa, K Takeuchi, Y Tang, J Tecchio, M Teng, PK Thom, J Thomson, E Thukral, V Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Totaro, P Trovato, M Ukegawa, F Uozumi, S Velev, G Vellidis, C Vernieri, C Vidal, M Vilar, R Vizan, J Vogel, M Volpi, G Vazquez, F Wagner, P Wallny, R Wang, SM Waters, D Wester, WC Whiteson, D Wicklund, AB Wilbur, S Williams, HH Wilson, JS Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, H Wright, T Wu, X Wu, Z Yamamoto, K Yamato, D Yang, T Yang, UK Yang, YC Yao, WM Yeh, GP Yi, K Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Zanetti, AM Zeng, Y Zhou, C Zucchelli, S AF Aaltonen, T. Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Appel, J. A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Auerbach, B. Aurisano, A. Azfar, F. Badgett, W. Bae, T. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Barria, P. Bartos, P. Bauce, M. Bedeschi, F. Behari, S. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Bhatti, A. Bland, K. R. Blumenfeld, B. Bocci, A. Bodek, A. Bortoletto, D. Boudreau, J. Boveia, A. Brigliadori, L. Bromberg, C. Brucken, E. Budagov, J. Budd, H. S. Burkett, K. Busetto, G. Bussey, P. Butti, P. Buzatu, A. Calamba, A. Camarda, S. Campanelli, M. Canelli, F. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Cho, K. Chokheli, D. Clark, A. Clarke, C. Convery, M. E. Conway, J. Corbo, M. Cordelli, M. Cox, C. A. Cox, D. J. Cremonesi, M. Cruz, D. Cuevas, J. 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Mietlicki, D. Mitra, A. Miyake, H. Moed, S. Moggi, N. Moon, C. S. Moore, R. Morello, M. J. Mukherjee, A. Muller, Th. Murat, P. Mussini, M. Nachtman, J. Nagai, Y. Naganoma, J. Nakano, I. Napier, A. Nett, J. Neu, C. Nigmanov, T. Nodulman, L. Noh, S. Y. Norniella, O. Oakes, L. Oh, S. H. Oh, Y. D. Oksuzian, I. Okusawa, T. Orava, R. Ortolan, L. Pagliarone, C. Palencia, E. Palni, P. Papadimitriou, V. Parker, W. Pauletta, G. Paulini, M. Paus, C. Phillips, T. J. Piacentino, G. Pianori, E. Pilot, J. Pitts, K. Plager, C. Pondrom, L. Poprocki, S. Potamianos, K. Pranko, A. Prokoshin, F. Ptohos, F. Punzi, G. Ranjan, N. Redondo Fernandez, I. Renton, P. Rescigno, M. Rimondi, F. Ristori, L. Robson, A. Rodriguez, T. Rolli, S. Ronzani, M. Roser, R. Rosner, J. L. Ruffini, F. Ruiz, A. Russ, J. Rusu, V. Sakumoto, W. K. Sakurai, Y. Santi, L. Sato, K. Saveliev, V. Savoy-Navarro, A. Schlabach, P. Schmidt, E. E. Schwarz, T. Scodellaro, L. Scuri, F. Seidel, S. Seiya, Y. Semenov, A. Sforza, F. Shalhout, S. Z. Shears, T. Shepard, P. F. Shimojima, M. Shochet, M. Shreyber-Tecker, I. Simonenko, A. Sliwa, K. Smith, J. R. Snider, F. D. Song, H. Sorin, V. Denis, R. St. Stancari, M. Stentz, D. Strologas, J. Sudo, Y. Sukhanov, A. Suslov, I. Takemasa, K. Takeuchi, Y. Tang, J. Tecchio, M. Teng, P. K. Thom, J. Thomson, E. Thukral, V. Toback, D. Tokar, S. Tollefson, K. Tomura, T. Tonelli, D. Torre, S. Torretta, D. Totaro, P. Trovato, M. Ukegawa, F. Uozumi, S. Velev, G. Vellidis, C. Vernieri, C. Vidal, M. Vilar, R. Vizan, J. Vogel, M. Volpi, G. Vazquez, F. Wagner, P. Wallny, R. Wang, S. M. Waters, D. Wester, W. C., III Whiteson, D. Wicklund, A. B. Wilbur, S. Williams, H. H. Wilson, J. S. Wilson, P. Winer, B. L. Wittich, P. Wolbers, S. Wolfe, H. Wright, T. Wu, X. Wu, Z. Yamamoto, K. Yamato, D. Yang, T. Yang, U. K. Yang, Y. C. Yao, W. -M. Yeh, G. P. Yi, K. Yoh, J. Yorita, K. Yoshida, T. Yu, G. B. Yu, I. Zanetti, A. M. Zeng, Y. Zhou, C. Zucchelli, S. CA CDF Collaboration TI Search for new physics in trilepton events and limits on the associated chargino-neutralino production at CDF SO PHYSICAL REVIEW D LA English DT Article ID PARTON DISTRIBUTIONS AB We perform a search for new physics using final states consisting of three leptons and a large imbalance in transverse momentum resulting from proton-antiproton collisions at 1.96 TeV center-of-mass energy. We use data corresponding to 5.8 fb(-1) of integrated luminosity recorded by the CDF II detector at the Tevatron collider. Our main objective is to investigate possible new low-momentum (down to 5 GeV/c) multi-leptonic final states not investigated by LHC experiments. Relative to previous CDF analyses, we expand the geometric and kinematic coverage of electrons and muons and utilize tau leptons that decay hadronically. Inclusion of tau leptons is particularly important for supersymmetry (SUSY) searches. The results are consistent with standard-model predictions within 1.85 sigma. By optimizing our event selection to increase sensitivity to the minimal supergravity (mSUGRA) SUSY model, we set limits on the associated production of chargino and next-to-lightest neutralino, the SUSY partners of the electroweak gauge bosons. We exclude cross sections up to 0.1 pb and chargino masses up to 168 GeV/c(2) at 95% C.L., for a suitable set of mSUGRA parameters. We also exclude a region of the two-dimensional space of the masses of the neutralino and the supersymmetric partner of the tau lepton, not previously excluded at the Tevatron. C1 [Chen, Y. C.; Hou, S.; Mitra, A.; Teng, P. K.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Auerbach, B.; Nodulman, L.; Wicklund, A. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Giakoumopoulou, V.; Giokaris, N.; Manousakis-Katsikakis, A.] Univ Athens, GR-15771 Athens, Greece. 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[Kambeitz, M.; Kreps, M.; Kuhr, T.; Lueck, J.; Muller, Th.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Seoul Natl Univ, Seoul 151742, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Chonnam Natl Univ, Kwangju 500757, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Chonbuk Natl Univ, Jeonju 561756, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, T.; Yang, Y. 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[Gold, M.; Gorelov, I.; Palni, P.; Seidel, S.; Strologas, J.; Vogel, M.] Univ New Mexico, Albuquerque, NM 87131 USA. [Hughes, R. E.; Lannon, K.; Winer, B. L.; Wolfe, H.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Okayama 7008530, Japan. [Kato, Y.; Okusawa, T.; Seiya, Y.; Yamamoto, K.; Yamato, D.; Yoshida, T.] Osaka City Univ, Osaka 5588585, Japan. [Azfar, F.; Farrington, S.; Hays, C.; Oakes, L.; Renton, P.] Univ Oxford, Oxford OX1 3RH, England. [Amerio, S.; Bauce, M.; Busetto, G.; D'Errico, M.; Lucchesi, D.; Totaro, P.] Ist Nazl Fis Nucl, Sez Padova, Milan, Italy. [Amerio, S.] Univ Padua, I-35131 Padua, Italy. [Heinrich, J.; Keung, J.; Kroll, J.; Lipeles, E.; Pianori, E.; Rodriguez, T.; Thomson, E.; Wagner, P.; Whiteson, D.; Williams, H. H.] Univ Penn, Philadelphia, PA 19104 USA. [Barria, P.; Bedeschi, F.; Bellettini, G.; Butti, P.; Carosi, R.; Chiarelli, G.; Cremonesi, M.; Di Canto, A.; Donati, S.; Galloni, C.; Garosi, P.; Introzzi, G.; Latino, G.; Leo, S.; Leone, S.; Maestro, P.; Marino, P.; Morello, M. J.; Piacentino, G.; Punzi, G.; Ronzani, M.; Ruffini, F.; Scuri, F.; Sforza, F.; Trovato, M.; Vernieri, C.] Ist Nazl Fis Nucl, Milan, Italy. [Punzi, G.; Ronzani, M.; Sforza, F.] Univ Pisa, I-56100 Pisa, Italy. [Barria, P.; Garosi, P.; Latino, G.; Maestro, P.; Ruffini, F.] Univ Siena, I-53100 Siena, Italy. [Marino, P.; Morello, M. J.; Trovato, M.; Vernieri, C.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Introzzi, G.] Ist Nazl Fis Nucl, I-27100 Pavia, Italy. [Introzzi, G.] Univ Pavia, I-27100 Pavia, Italy. [Boudreau, J.; Gibson, K.; Nigmanov, T.; Shepard, P. F.; Song, H.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Barnes, V. E.; Bortoletto, D.; Garfinkel, A. F.; Jones, M.; Laasanen, A. T.; Liu, Q.; Ranjan, N.; Vidal, M.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Budd, H. S.; de Barbaro, P.; Han, J. Y.; Sakumoto, W. K.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10065 USA. [Giagu, S.; Iori, M.; Margaroli, F.; Rescigno, M.] Ist Nazl Fis Nucl, Sez Roma 1, Milan, Italy. [Iori, M.] Univ Roma La Sapienza, I-00185 Rome, Italy. [Asaadi, J.; Aurisano, A.; Cruz, D.; Elagin, A.; Goldin, D.; Hong, Z.; Nett, J.; Thukral, V.; Toback, D.] Texas A&M Univ, Mitchell Inst Fundamental Phys & Astron, College Stn, TX 77843 USA. [Casarsa, M.; Cauz, D.; Dorigo, M.; Driutti, A.; Pagliarone, C.; Pauletta, G.; Santi, L.; Zanetti, A. M.] Ist Nazl Fis Nucl Trieste, Trieste, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Grp Collegato Udine, Udine, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Univ Udine, I-33100 Udine, Italy. [Dorigo, M.] Univ Trieste, I-34127 Trieste, Italy. [Hara, K.; Kim, S. H.; Kurata, M.; Miyake, H.; Nagai, Y.; Sato, K.; Shimojima, M.; Sudo, Y.; Takemasa, K.; Takeuchi, Y.; Tomura, T.; Ukegawa, F.] Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. [Hare, M.; Napier, A.; Rolli, S.; Sliwa, K.] Tufts Univ, Medford, MA 02155 USA. [Liu, H.; Neu, C.; Oksuzian, I.] Univ Virginia, Charlottesville, VA 22906 USA. [Arisawa, T.; Ebina, K.; Funakoshi, Y.; Kimura, N.; Kondo, K.; Naganoma, J.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo 169, Japan. [Clarke, C.; Harr, R. F.; Karchin, P. E.; Mattson, M. E.] Wayne State Univ, Detroit, MI 48201 USA. [Bellinger, J.; Carlsmith, D.; Herndon, M.; Parker, W.; Pondrom, L.] Univ Wisconsin, Madison, WI 53706 USA. [Husemann, U.; Lockwitz, S.; Loginov, A.] Yale Univ, New Haven, CT 06520 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. RI Scodellaro, Luca/K-9091-2014; Punzi, Giovanni/J-4947-2012; Grinstein, Sebastian/N-3988-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Chiarelli, Giorgio/E-8953-2012; song, hao/I-2782-2012; Cavalli-Sforza, Matteo/H-7102-2015; Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Marino, Pietro/N-7030-2015; Gorelov, Igor/J-9010-2015; maestro, paolo/E-3280-2010; Prokoshin, Fedor/E-2795-2012; Canelli, Florencia/O-9693-2016; Ruiz, Alberto/E-4473-2011; OI Scodellaro, Luca/0000-0002-4974-8330; Punzi, Giovanni/0000-0002-8346-9052; Grinstein, Sebastian/0000-0002-6460-8694; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; Chiarelli, Giorgio/0000-0001-9851-4816; song, hao/0000-0002-3134-782X; Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Marino, Pietro/0000-0003-0554-3066; Hays, Chris/0000-0003-2371-9723; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Dorigo, Mirco/0000-0002-0681-6946; Brucken, Jens Erik/0000-0001-6066-8756; Torre, Stefano/0000-0002-7565-0118; Casarsa, Massimo/0000-0002-1353-8964; Latino, Giuseppe/0000-0002-4098-3502; iori, maurizio/0000-0002-6349-0380; Vidal Marono, Miguel/0000-0002-2590-5987; Gorelov, Igor/0000-0001-5570-0133; maestro, paolo/0000-0002-4193-1288; Prokoshin, Fedor/0000-0001-6389-5399; Canelli, Florencia/0000-0001-6361-2117; Ruiz, Alberto/0000-0002-3639-0368; Toback, David/0000-0003-3457-4144; Jun, Soon Yung/0000-0003-3370-6109; Margaroli, Fabrizio/0000-0002-3869-0153; Group, Robert/0000-0002-4097-5254; Simonenko, Alexander/0000-0001-6580-3638; Lancaster, Mark/0000-0002-8872-7292 FU Italian Istituto Nazionale di Fisica Nucleare; Ministry of Education, Culture, Sports, Science and Technology of Japan; Natural Sciences and Engineering Research Council of Canada; National Science Council of the Republic of China; Swiss National Science Foundation; A. P. Sloan Foundation; Bundesministerium fur Bildung und Forschung, Germany; Korean World Class University Program; Science and Technology Facilities Council; Russian Foundation for Basic Research; Ministerio de Ciencia e Innovacion; Programa Consolider-Ingenio, Spain; Slovak RD Agency; Academy of Finland; Australian Research Council (ARC); EU community Marie Curie Fellowship [302103]; National Science Foundation; U.S. Department of Energy; National Research Foundation of Korea; Royal Society, United Kingdom FX We thank the Fermilab staff and the technical staffs of the participating institutions for their vital contributions. This work was supported by the U.S. Department of Energy and National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the Ministry of Education, Culture, Sports, Science and Technology of Japan; the Natural Sciences and Engineering Research Council of Canada; the National Science Council of the Republic of China; the Swiss National Science Foundation; the A. P. Sloan Foundation; the Bundesministerium fur Bildung und Forschung, Germany; the Korean World Class University Program, the National Research Foundation of Korea; the Science and Technology Facilities Council and the Royal Society, United Kingdom; the Russian Foundation for Basic Research; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Slovak R&D Agency; the Academy of Finland; the Australian Research Council (ARC); and the EU community Marie Curie Fellowship Contract No. 302103. NR 32 TC 2 Z9 2 U1 1 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 23 PY 2014 VL 90 IS 1 AR 012011 DI 10.1103/PhysRevD.90.012011 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM1OW UT WOS:000339618000001 ER PT J AU Kang, ZB Liu, XH Mantry, S AF Kang, Zhong-Bo Liu, Xiaohui Mantry, Sonny TI 1-jettiness DIS event shape: NNLL plus NLO results SO PHYSICAL REVIEW D LA English DT Article ID DEEP-INELASTIC SCATTERING; COLLINEAR EFFECTIVE THEORY; CROSS-SECTIONS; HERA; VARIABLES; POWER; QCD AB We present results for the complete NNLL + NLO (similar to alpha(s)) 1-jettiness (tau(1)) event shape distribution for single jet (J) production in electron-nucleus (N-A) collisions e(-) + N-A -> e(-) + J + X, in the deep inelastic scattering (DIS) region where the hard scale is set by the jet transverse momentum P-JT. These results cover the entire tau(1) spectrum including the resummation (tau(1) << P-JT) and fixed-order (tau(1) similar to P-JT) perturbative QCD regions. They incorporate nonperturbative soft radiation effects, the anti-k(T) jet algorithm in the fixed-order calculation, and a smooth matching between the resummation and fixed-order perturbative QCD regions. The matching smoothly connects the spectrum in the resummation region, which can be computed without reference to an external jet algorithm, and the fixed-order region where an explicit jet algorithm must be specified. Our code, used for generating the numerical results, is flexible enough to incorporate different jet algorithms for the fixed-order calculation. We also perform a jet-shape analysis, defined within the 1-jettiness framework, which allows one to control the amount of radiation included in the definition of the final state jet. This formalism can allow for detailed studies of jet energy-loss mechanisms and nuclear medium effects. The analysis presented here can be used for precision studies of QCD and as a probe of nuclear dynamics using data collected at HERA and in proposed future electron-ion colliders such as the EIC and the LHeC. C1 [Kang, Zhong-Bo] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Liu, Xiaohui; Mantry, Sonny] Argonne Natl Lab, High Energy Div, Argonne, IL 60439 USA. [Liu, Xiaohui; Mantry, Sonny] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. RP Kang, ZB (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Kang, Zhongbo/P-3645-2014 FU U.S. Department of Energy, Division of High Energy Physics [DE-AC02-06CH11357]; Northwestern University; [DE-FG02-95ER40896]; [DE-FG02-08ER4153]; [DE-AC52-06NA25396] FX We are grateful to Jianwei Qiu for many useful discussions and comments during the course of this work and for reading over the manuscript. We also thank Daekyoung Kang, Chris Lee, and Iain Stewart for useful comments on the manuscript. S. M. also thanks the Erwin-Schrodinger-Institute for their hospitality during the "Jets and Quantum Fields for LHC and Future Colliders (2013)" program, where part of this work took place. This work was supported in part by the U.S. Department of Energy, Division of High Energy Physics, under Contract No. DE-AC02-06CH11357 (X. L.) and Grants No. DE-FG02-95ER40896 (X. L.), No. DE-FG02-08ER4153 (X. L.), and No. DE-AC52-06NA25396 (Z.-B. K.) and by Northwestern University (S. M.). NR 48 TC 12 Z9 12 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 23 PY 2014 VL 90 IS 1 AR 014041 DI 10.1103/PhysRevD.90.014041 PG 19 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM1OW UT WOS:000339618000003 ER PT J AU Ray, D Reichhardt, C Reichhardt, CJO AF Ray, D. Reichhardt, C. Reichhardt, C. J. Olson TI Casimir effect in active matter systems SO PHYSICAL REVIEW E LA English DT Article ID SWIMMING BACTERIA; FORCES; PARTICLES; RANGE; WALL AB We numerically examine run-and-tumble active matter particles in Casimir geometries composed of two finite parallel walls. We find that there is an attractive force between the two walls of a magnitude that increases with increasing run length. The attraction exhibits an unusual exponential dependence on the wall separation, and it arises due to a depletion of swimmers in the region between the walls by a combination of the motion of the particles along the walls and a geometric shadowing effect. This attraction is robust as long as the wall length is comparable to or smaller than the swimmer run length, and is only slightly reduced by the inclusion of steric interactions between swimmers. We also examine other geometries and find regimes in which there is a crossover from attraction to repulsion between the walls as a function of wall separation and wall length. C1 [Ray, D.; Reichhardt, C.; Reichhardt, C. J. Olson] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ray, D.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RP Ray, D (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 FU NNSA of the U.S. DOE at LANL [DE-AC52-06NA25396] FX We thank D. Dalvit, L. Lopatina, and S. Redner for useful discussions. This work was carried out under the auspices of the NNSA of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396. NR 47 TC 25 Z9 25 U1 4 U2 30 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD JUL 23 PY 2014 VL 90 IS 1 AR 013019 DI 10.1103/PhysRevE.90.013019 PG 5 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AM1PH UT WOS:000339619200007 PM 25122381 ER PT J AU Albright, BJ Yin, L Afeyan, B AF Albright, B. J. Yin, L. Afeyan, B. TI Control of Stimulated Raman Scattering in the Strongly Nonlinear and Kinetic Regime Using Spike Trains of Uneven Duration and Delay SO PHYSICAL REVIEW LETTERS LA English DT Article ID DECAY INSTABILITY; LANGMUIR; PLASMA; WAVE AB Stimulated Raman scattering (SRS) in its strongly nonlinear, kinetic regime is controlled by a technique of deterministic, strong temporal modulation and spatial scrambling of laser speckle patterns, called spike trains of uneven duration and delay (STUD) pulses [B. Afeyan and S. Huller (unpublished)]. Kinetic simulations show that the proper use of STUD pulses decreases SRS reflectivity by more than an order of magnitude over random-phase-plate or induced-spatial-incoherence beams of the same average intensity and comparable bandwidth. C1 [Albright, B. J.; Yin, L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Afeyan, B.] Polymath Res Inc, Pleasanton, CA 94566 USA. RP Albright, BJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM balbright@lanl.gov OI Albright, Brian/0000-0002-7789-6525; Yin, Lin/0000-0002-8978-5320 FU NNSA of the U.S. Department of Energy at Los Alamos National Laboratory; DOE NNSA ICF and LDRD Programs; DOE NNSA-OFES Joint program in HEDLP; SBIR grants from OFES; LANS, LLC [DE-AC52-06NA25396] FX Work conducted under the auspices of the NNSA of the U.S. Department of Energy at Los Alamos National Laboratory, managed by LANS, LLC, under Contract No. DE-AC52-06NA25396. B. J. A. and L. Y. were supported by DOE NNSA ICF and LDRD Programs and the DOE NNSA-OFES Joint program in HEDLP. B. A. was supported by grants from the DOE NNSA-OFES Joint program in HEDLP and by SBIR grants from OFES. Simulations were performed on ASC Roadrunner and Cielo. We acknowledge useful discussions with S. Huller, J. Garnier, J. Fernandez, D. Montgomery, J. Kline, and S. Batha. NR 26 TC 8 Z9 8 U1 4 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 23 PY 2014 VL 113 IS 4 AR 045002 DI 10.1103/PhysRevLett.113.045002 PG 5 WC Physics, Multidisciplinary SC Physics GA AM1PQ UT WOS:000339620300008 PM 25105625 ER PT J AU Tse, WK Saxena, A Smith, DL Sinitsyn, NA AF Tse, Wang-Kong Saxena, A. Smith, D. L. Sinitsyn, N. A. TI Spin and Valley Noise in Two-Dimensional Dirac Materials SO PHYSICAL REVIEW LETTERS LA English DT Article ID MONOLAYER MOS2; CRYSTALS AB We develop a theory for optical Faraday rotation noise in two-dimensional Dirac materials. In contrast to spin noise in conventional semiconductors, we find that the Faraday rotation fluctuations are influenced not only by spins but also the valley degrees of freedom attributed to intervalley scattering processes. We illustrate our theory with two-dimensional transition-metal dichalcogenides and discuss signatures of spin and valley noise in the Faraday noise power spectrum. We propose optical Faraday noise spectroscopy as a technique for probing both spin and valley relaxation dynamics in two-dimensional Dirac materials. C1 [Tse, Wang-Kong; Saxena, A.; Smith, D. L.; Sinitsyn, N. A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Tse, WK (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We thank S. A. Crooker and Luyi Yang for useful discussions. Work at LANL was carried out under the auspices of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 27 TC 8 Z9 8 U1 5 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 23 PY 2014 VL 113 IS 4 AR 046602 DI 10.1103/PhysRevLett.113.046602 PG 5 WC Physics, Multidisciplinary SC Physics GA AM1PQ UT WOS:000339620300014 PM 25105640 ER PT J AU Mardkhe, MK Keyvanloo, K Bartholomew, CH Hecker, WC Alam, TM Woodfield, BF AF Mardkhe, Maryam Khosravi Keyvanloo, Kamyar Bartholomew, Calvin H. Hecker, William C. Alam, Todd M. Woodfield, Brian F. TI Acid site properties of thermally stable, silica-doped alumina as a function of silica/alumina ratio and calcination temperature SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE Silica-doped alumina; Bronsted and Lewis acid sites; Thermal stability; Acid site concentration ID SURFACE-ACIDITY; GAMMA-ALUMINA; SKELETAL ISOMERIZATION; GEL SURFACE; CATALYSTS; STABILITY; SUPPORT; NMR; IR; PYRIDINE AB Acid site properties of silica-doped aluminas prepared by a simple solvent deficient hydrolysis of the alkoxides was investigated. The total acid concentration (Bronsted and Lewis sites) of silica-doped aluminas (SDAs) calcined in the range of 700-1200 degrees C with Si/AI ratios of 5, 15, 27 wt% was determined using temperature-programmed desorption of ammonia (ammonia-TPD). Al-27 solid state MAS NMR (Al SS MAS NMR) was used to measure the intrinsic Lewis acid site concentration, and FTIR was also used as a separate measure of the Bronsted and Lewis acid site concentration. Results indicate that removing hydroxyl groups in the form of water molecules through calcination result in a lower concentration of Bronsted acid sites. Calcination at higher temperature also results in the transformation of unsaturated 5-coordinated aluminum (a strong Lewis acid) to higher concentrations of 6 and 4-coordinated aluminum in 5, 15 and 27% silica-doped alumina samples. Therefore, the total acid site concentration (Bronsted and Lewis sites) decreases by increasing the calcination temperature. In addition, the data show that increasing the silica/alumina ratio increases both the Bronsted and Lewis acid site concentrations. Based on these results, the acid site concentrations can be controlled by altering the Si/Al ratio and calcination temperature while maintaining high surface areas, large pore volumes, and large pore diameters. (C) 2014 Elsevier B.V. All rights reserved. C1 [Mardkhe, Maryam Khosravi; Woodfield, Brian F.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. [Keyvanloo, Kamyar; Bartholomew, Calvin H.; Hecker, William C.] Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. [Alam, Todd M.] Sandia Natl Labs, Dept Elect Opt & Nanostruct Mat, Albuquerque, NM 87185 USA. RP Woodfield, BF (reprint author), Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. EM Brian_woodfield@byu.edu FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE [DE-FG02-05ER15666]; National Science Foundation [CHE-0959862] FX The solid state NMR was performed at Sandia National Laboratories (TMA) which is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.; This work was supported by the DOE under grant DE-FG02-05ER15666 and National Science Foundation under CHE-0959862. NR 53 TC 6 Z9 8 U1 5 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X EI 1873-3875 J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD JUL 22 PY 2014 VL 482 BP 16 EP 23 DI 10.1016/j.apcata.2014.05.011 PG 8 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA AN0XE UT WOS:000340306500003 ER PT J AU Benavidez, AD Burton, PD Nogales, JL Jenkins, AR Ivanov, SA Miller, JT Karim, AM Datye, AK AF Benavidez, Angelica D. Burton, Patrick D. Nogales, Johnny L. Jenkins, Aaron R. Ivanov, Sergei A. Miller, Jeffrey T. Karim, Ayman M. Datye, Abhaya K. TI Improved selectivity of carbon-supported palladium catalysts for the hydrogenation of acetylene in excess ethylene SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE Selective hydrogenation of acetylene; Palladium; EXAFS; TEM; Catalyst preparation ID RAY-ABSORPTION SPECTROSCOPY; PD CATALYSTS; ALKYNE HYDROGENATION; PARTICLE-SIZE; NANOPARTICLES; ALUMINA; DEACTIVATION; REGENERATION; MECHANISMS; CARBIDE AB In this study we examine the role of the support for selective hydrogenation of acetylene. Palladium (Pd) nanoparticles with a narrow size distribution were deposited on three supports, carbon, alumina and magnesia. The Pd particles ranged from 0.5 to 1.0 nm in diameter. A novel synthesis based on room temperature alcohol reduction of the Pd acetate precursor allowed us to deposit similar sized Pd particles on all three supports. We used electron microscopy and X-ray absorption spectroscopy (EXAFS) to characterize these samples and to confirm the similarity of the distribution and the size of the nanoparticles on all three supports. The carbon-supported Pd yielded a higher selectivity to ethylene at 100% acetylene conversions (from acetylene/ethylene mixtures) when compared to the oxide-supported samples. This work provides clear evidence that the support can play an important role in the selective hydrogenation of acetylene. While alumina is extensively used in industry as the support for Pd and Pd alloys, considerable improvements in selectivity could be made by the use of carbon supports. (C) 2014 Elsevier B.V. All rights reserved. C1 [Benavidez, Angelica D.; Burton, Patrick D.; Nogales, Johnny L.; Jenkins, Aaron R.; Datye, Abhaya K.] Univ New Mexico, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA. [Benavidez, Angelica D.; Burton, Patrick D.; Nogales, Johnny L.; Jenkins, Aaron R.; Datye, Abhaya K.] Ctr Microengn Mat, Albuquerque, NM 87131 USA. [Ivanov, Sergei A.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Karim, Ayman M.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Datye, AK (reprint author), Univ New Mexico, Dept Chem & Biol Engn, MSC01 1120, Albuquerque, NM 87131 USA. EM datye@unm.edu RI Ivanov, Sergei/B-5505-2011; Karim, Ayman/G-6176-2012; ID, MRCAT/G-7586-2011 OI Karim, Ayman/0000-0001-7449-542X; FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions; NSF [OISE 0730277]; DOE [DE-FG02-05ER15712]; National Science Foundation's GRFP under NSF [DGE-0237002 G]; Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Chemical Imaging Initiative, a Laboratory Directed Research and Development Program at PNNL; U.S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory [DE-AC52-06NA25396] FX The electron microscopy was performed at the Environmental Molecular Sciences Laboratory (EMSL), a user facility operated by the DOE at Pacific Northwest National Laboratory. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The research was supported NSF grants OISE 0730277 and DOE grant DE-FG02-05ER15712. ADB acknowledges the National Science Foundation's GRFP under NSF Grant DGE-0237002 G. Financial support for JTM was provided as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Support for AMK was provided by the Chemical Imaging Initiative, a Laboratory Directed Research and Development Program at PNNL, a multi program National Laboratory operated by Battelle for the U.S. Department of Energy. This work was performed, in part, at the U.S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory (Contract DE-AC52-06NA25396). NR 37 TC 10 Z9 10 U1 8 U2 85 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X EI 1873-3875 J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD JUL 22 PY 2014 VL 482 BP 108 EP 115 DI 10.1016/j.apcata.2014.05.027 PG 8 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA AN0XE UT WOS:000340306500014 ER PT J AU Korczynska, M Xiang, DF Zhang, ZN Xu, CF Narindoshvili, T Kamat, SS Williams, HJ Chang, SS Kolb, P Hillerich, B Sauder, JM Burley, SK Almo, SC Swaminathan, S Shoichet, BK Raushel, FM AF Korczynska, Magdalena Xiang, Dao Feng Zhang, Zhening Xu, Chengfu Narindoshvili, Tamari Kamat, Siddhesh S. Williams, Howard J. Chang, Shawn S. Kolb, Peter Hillerich, Brandan Sauder, J. Michael Burley, Stephen K. Almo, Steven C. Swaminathan, Subramanyam Shoichet, Brian K. Raushel, Frank M. TI Functional Annotation and Structural Characterization of a Novel Lactonase Hydrolyzing D-Xylono-1,4-lactone-5-phosphate and L-Arabino-1,4-lactone-5-phosphate SO BIOCHEMISTRY LA English DT Article ID RECENTLY DIVERGED PHOSPHOTRIESTERASE; AMIDOHYDROLASE SUPERFAMILY; 3-DIMENSIONAL STRUCTURE; UNKNOWN FUNCTION; MOLECULAR DOCKING; ESCHERICHIA-COLI; BINDING-SITE; L-ASCORBATE; ENZYME; CRYSTALLOGRAPHY AB A novel lactonase from Mycoplasma synoviae 53 (MS53_0025) and Mycoplasma agalactiae PG2 (MAG_6390) was characterized by protein structure determination, molecular docking, gene context analysis, and library screening. The crystal structure of MS53_0025 was determined to a resolution of 2.06 angstrom. This protein adopts a typical amidohydrolase (beta/alpha)(8)-fold and contains a binuclear zinc center located at the C-terminal end of the beta-barrel. A phosphate molecule was bound in the active site and hydrogen bonds to Lys217, Lys244, Tyr245, Arg275, and Tyr278. Both docking and gene context analysis were used to narrow the theoretical substrate profile of the enzyme, thus directing empirical screening to identify that MS53_0025 and MAG_6390 catalyze the hydrolysis of D-xylono-1,4-lactone-5-phosphate (2) with k(cat)/K-m values of 4.7 x 10(4) and 5.7 X 10(4) M-1 and L-arabino-1,4-lactone-5-phosphate (7) with k(cat)/K-m values of 1.3 x 10(4) and 2.2 X 10(4) M-1 s(-1), respectively. The identification of the substrate profile of these two phospho-furanose lactonases emerged only when all methods were integrated and therefore provides a blueprint for future substrate identification of highly related amidohydrolase superfamily members. C1 [Korczynska, Magdalena; Kolb, Peter; Shoichet, Brian K.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Xiang, Dao Feng; Xu, Chengfu; Narindoshvili, Tamari; Kamat, Siddhesh S.; Williams, Howard J.; Raushel, Frank M.] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. [Zhang, Zhening; Swaminathan, Subramanyam] Brookhaven Natl Lab, Biosci Dept, Upton, NY 11973 USA. [Chang, Shawn S.; Sauder, J. Michael] Lilly Biotechnol Ctr, San Diego, CA 92121 USA. [Burley, Stephen K.] Rutgers State Univ, Ctr Integrat Prote Res, Dept Chem & Chem Biol, Rutgers Canc Inst New Jersey, Piscataway, NJ 08854 USA. [Hillerich, Brandan; Almo, Steven C.] Albert Einstein Coll Med, Bronx, NY 10461 USA. [Shoichet, Brian K.] Univ Toronto, Leslie Dan Fac Pharm, Toronto, ON M5S 3M2, Canada. RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Biosci Dept, POB 5000, Upton, NY 11973 USA. EM swami@bnl.gov; bshoichet@gmail.com; raushel@tamu.edu RI Raushel, Frank/B-7125-2015; Kolb, Peter/A-3782-2008 OI Raushel, Frank/0000-0002-5918-3089; Kolb, Peter/0000-0003-4089-614X FU National Institutes of Health [GM GM093342, GM71790] FX Supported by National Institutes of Health Grants GM GM093342 and GM71790. NR 48 TC 2 Z9 2 U1 2 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD JUL 22 PY 2014 VL 53 IS 28 BP 4727 EP 4738 DI 10.1021/bi500595c PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AL9LO UT WOS:000339462800022 PM 24955762 ER PT J AU Graeser, BK Hages, CJ Yang, WC Carter, NJ Miskin, CK Stach, EA Agrawal, R AF Graeser, Brian K. Hages, Charles J. Yang, Wei Chang Carter, Nathaniel J. Miskin, Caleb K. Stach, Eric A. Agrawal, Rakesh TI Synthesis of (CuInS2)(0.5)(ZnS)(0.5) Alloy Nanocrystals and Their Use for the Fabrication of Solar Cells via Selenization SO CHEMISTRY OF MATERIALS LA English DT Article ID FILMS; EFFICIENCY C1 [Graeser, Brian K.; Hages, Charles J.; Carter, Nathaniel J.; Miskin, Caleb K.; Agrawal, Rakesh] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Yang, Wei Chang] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Agrawal, R (reprint author), Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. EM agrawalr@purdue.edu RI Stach, Eric/D-8545-2011; Hages, Charles/J-6074-2015 OI Stach, Eric/0000-0002-3366-2153; Hages, Charles/0000-0003-4054-1218 FU GAANN program [P200A090320-10]; NSF Solar Economy IGERT [0903670-DGE]; DOE SunShot [DE-EE0005328]; National Science Foundation [DGE-0833366]; Center for Functional Nanomaterials, Brookhaven National Laboratory; U.S. DOE Office of BasicEnergy Sciences [DE-AC02-98CH10886] FX B.K.G. is thankful for the support of the GAANN program (P200A090320-10). The authors also gratefully acknowledge the funding of NSF Solar Economy IGERT (0903670-DGE) and DOE SunShot (DE-EE0005328). C.K.M. acknowledges this work's support by the National Science Foundation under Grant DGE-0833366. E.A.S. acknowledges support to the Center for Functional Nanomaterials, Brookhaven National Laboratory, by the U.S. DOE Office of BasicEnergy Sciences (Contract No. DE-AC02-98CH10886). The authors acknowledge Xin Zhao for helping to acquire HRTEM images of the nanocrystals and assisting with the interpretation of the data. The authors would like to thank Robert Balow for his assistance with gathering UV-Vis data. NR 30 TC 9 Z9 9 U1 0 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL 22 PY 2014 VL 26 IS 14 BP 4060 EP 4063 DI 10.1021/cm501017z PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AL9OU UT WOS:000339471400004 ER PT J AU Bedford, NM Bhandari, R Slocik, JM Seifert, S Naik, RR Knecht, MR AF Bedford, Nicholas M. Bhandari, Rohit Slocik, Joseph M. Seifert, Soenke Naik, Rajesh R. Knecht, Marc R. TI Peptide-Modified Dendrimers as Templates for the Production of Highly Reactive Catalytic Nanomaterials SO CHEMISTRY OF MATERIALS LA English DT Article ID ENCAPSULATED PALLADIUM NANOPARTICLES; BIOMIMETIC SYNTHESIS; CYLINDROTHECA-FUSIFORMIS; SELECTIVE HYDROGENATION; BIOMEDICAL APPLICATIONS; OLEFIN HYDROGENATION; ENGINEERED PEPTIDES; AQUEOUS-SOLUTIONS; R5 PEPTIDE; PD AB Peptide-driven nanomaterials synthesis and assembly has become a significant research thrust due to the capability to generate a range of multifunctional materials with high spatial precision and tunable properties. Despite the extensive amount of available literature, the majority of studies report the use of free peptides to drive synthesis and assembly. Such strategies are not an entirely accurate representation of nature, as many materials binding peptides found in biological systems are sterically constrained to a larger biological motif. Herein we report the synthesis of catalytic Pd nanomaterials using constrained peptides covalently attached to the surface of small, water-soluble dendrimers. Using the R5 peptide conjugated to polyamidoamine dendrimer as a bioconjugate, Pd nanomaterials were generated that displayed altered morphologies compared to nanomaterials templated with free R5. It was discovered that the peptide surface density on the dendrimer affected the resulting nanoscale morphology. Furthermore, the catalytic activities of Pd materials templated with R5/dendrimer are higher as compared to the R5-templated Pd materials for the hydrogenation of ally] alcohol, with an average increase in turnover frequency of similar to 1500 mol product (mol Pd X h)(-1). Small angle X-ray scattering analysis and dynamic light scattering indicate that Pd derived from R5/dendrimer templates remained less aggregated in solution and displayed more available reactive Pd surface area. Such morphological changes in solution are attributed to the constrained peptide binding motifs, which altered the Pd morphology and subsequent properties. Moreover, the results of this study suggest that constrained materials binding peptide systems can be employed as a means to alter morphology and improve resulting properties. C1 [Bedford, Nicholas M.; Slocik, Joseph M.; Naik, Rajesh R.] Air Force Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA. [Bedford, Nicholas M.; Bhandari, Rohit; Knecht, Marc R.] Univ Miami, Dept Chem, Coral Gables, FL 33146 USA. [Seifert, Soenke] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Naik, RR (reprint author), Air Force Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA. EM rajesh.naik@us.af.mil; knecht@miami.edu RI Liao, Xue-pin/B-2089-2015; Bhandari, Rohit/N-4724-2014 FU Air Force Office of Scientific Research; National Science Foundation [DMR-1145175]; National Research Council Research Associateship award; U.S. DOE [DE-AC02-06CH11357] FX This work was supported in part by the Air Force Office of Scientific Research (RN) and National Science Foundation (M.R.K.: DMR-1145175). Further financial support was provided by University of Miami. N.M.B acknowledges fellowship support from the National Research Council Research Associateship award. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 72 TC 7 Z9 7 U1 1 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL 22 PY 2014 VL 26 IS 14 BP 4082 EP 4091 DI 10.1021/cm5007444 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AL9OU UT WOS:000339471400009 ER PT J AU Duttine, M Dambournet, D Penin, N Carlier, D Bourgeois, L Wattiaux, A Chapman, KW Chupas, PJ Groult, H Durand, E Demourgues, A AF Duttine, Mathieu Dambournet, Damien Penin, Nicolas Carlier, Dany Bourgeois, Lydie Wattiaux, Alain Chapman, Karena W. Chupas, Peter J. Groult, Henri Durand, Etienne Demourgues, Alain TI Tailoring the Composition of a Mixed Anion Iron-Based Fluoride Compound: Evidence for Anionic Vacancy and Electrochemical Performance in Lithium Cells SO CHEMISTRY OF MATERIALS LA English DT Article ID THERMAL-STABILITY; ACIDIC PROPERTIES; SURFACE-AREA; STRUCTURAL FEATURES; ALUMINUM FLUORIDE; CATHODE MATERIALS; CRYSTAL-STRUCTURE; ANHYDROUS FEF3; BATTERIES; LI AB Microwave-assisted synthesis allows stabilizing Fe-based fluoride compounds with hexagonal tungsten bronze (HTB) network. The determination of the chemical composition, i.e., FeF2.2(OH)(0.8)center dot(H2O)(0.33), revealed a significant deviation from the pure fluoride composition, with a high content of OH groups substituting fluoride ions. Rietveld refinement of the X-ray diffraction data and Mossbauer spectroscopy showed that the partial OH/F substitution impact on the structure (interatomic distances, angles, and so on) and the local environment of iron (isomer shift and quadrupole splitting distribution). The thermal behavior of the hydroxyfluoride compound has been thoroughly investigated. From room temperature to 350 degrees C under Ar flow, the HTB-type structure remains stable without any fluorine loss and only water departure. At T > 350 C, the structure started to collapse with a partitioning of anions leading to alpha-FeF3 and alpha-Fe2O3. Within 200 degrees C <= T <= 350 degrees C, the chemical composition can be tuned with different contents of OH-/O2- and structural water. By an adequate thermal treatment, it has been shown that anionic vacancies formed by dehydroxylation reaction could be stabilized within the HTB network yielding a compound containing three different anions, i.e., FeF2.2(OH)(0.8-x)O-x/2 square(x/2). XRD Rietveld analysis, atomic pair distribution function, and Mossbauer spectroscopy confirmed the formation of under-coordinated iron FeX5 square(1) (X = O2-, F-, and OH-) atoms. Different compositions have been prepared by thermal treatment at T <= 350 degrees C and their electrochemical properties evaluated in lithium cell. Structural water seems to block the diffusion of lithium within the hexagonal cavities. Increasing the content of anionic vacancies significantly improves the reversible capacity emphasizing a peculiar role on electrochemical properties. Pair distribution functions obtained on lithiated and delithiated samples indicated that the HTB network was maintained (in the 2-4.2 V voltage range) during the intercalation processes. C1 [Duttine, Mathieu; Penin, Nicolas; Carlier, Dany; Wattiaux, Alain; Durand, Etienne; Demourgues, Alain] Univ Bordeaux, CNRS, UPR 9048, ICMCB, F-33600 Pessac, France. [Duttine, Mathieu; Dambournet, Damien; Groult, Henri] Univ Paris 06, Sorbonne Univ, UMR 8234, PHENIX, F-75005 Paris, France. [Duttine, Mathieu; Dambournet, Damien; Groult, Henri] CNRS, UMR 8234, PHENIX, F-75005 Paris, France. [Bourgeois, Lydie] Univ Bordeaux, ISM, Grp Spect Mol, F-33405 Talence, France. [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Demourgues, A (reprint author), Univ Bordeaux, CNRS, UPR 9048, ICMCB, F-33600 Pessac, France. EM demourg@icmcb-bordeaux.cnrs.fr RI CARLIER, Dany/K-2271-2015 OI CARLIER, Dany/0000-0002-5086-4363 FU U.S. DOE [DE-AC02-06CH11357] FX Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, were supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 34 TC 11 Z9 11 U1 9 U2 92 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL 22 PY 2014 VL 26 IS 14 BP 4190 EP 4199 DI 10.1021/cm501396n PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AL9OU UT WOS:000339471400021 ER PT J AU Kim, JC Li, X Moore, CJ Bo, SH Khalifah, PG Grey, CP Ceder, G AF Kim, Jae Chul Li, Xin Moore, Charles J. Bo, Shou-Hang Khalifah, Peter G. Grey, Clare P. Ceder, Gerbrand TI Analysis of Charged State Stability for Monoclinic LiMnBO3 Cathode SO CHEMISTRY OF MATERIALS LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; CRYSTAL-STRUCTURE; ELECTROCHEMICAL PROPERTIES; ELECTRODE MATERIALS; PERFORMANCE; CHALLENGES; SPINEL AB The stability of the charged state of monoclinic LiMnBO3 has been analyzed to better understand its electrochemical cycling behavior in this work. First-principles calculations indicate that delithiated monoclinic Li1-xMnBO3 becomes unstable for x >= 0.625. Results obtained from ex-situ X-ray diffraction on charged electrodes and chemically oxidized powder confirm the phase decomposition of the LiMnBO3 phase when a significant amount of Li is extracted. Energy-dispersive X-ray spectroscopy and X-ray diffraction analysis also reveal Mn dissolution from the cycled LiMnBO3 cathodes and chemically delithiated LiMnBO3 specimen. Based on these results, we consider the cycling performance of monoclinic LiMnBO3 to be primarily limited by its charged state instability. To overcome this limitation, we partially substituted Mn with Mg to maintain structural integrity of the phase and reduce capacity fading over multiple cycles. C1 [Kim, Jae Chul; Li, Xin; Moore, Charles J.; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Khalifah, Peter G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Grey, Clare P.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. RP Ceder, G (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM gceder@mit.edu FU MRSEC Program of the National Science Foundation [DMR-0819762]; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-05CH11231]; Extreme Science and Engineering Discovery Environment (XSEDE) [TG-DMR970008S]; Department of Energy's Basic Energy Sciences program [EDCBEE]; DOE [DE-AC02-05CH11231]; Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center - U.S. DOE, BES [DE-SC0001294]; Robert Bosch GmbH; Umicore Specialty Oxides and Chemicals FX This work was supported in part by the MRSEC Program of the National Science Foundation under award number DMR-0819762 and by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under the Batteries for Advanced Transportation Technologies (BATT) Program. Computing resources were provided through the National Energy Research Scientific Computing Center (NERSC) and from the Extreme Science and Engineering Discovery Environment (XSEDE) under grant number TG-DMR970008S. The Materials Project work is supported by Department of Energy's Basic Energy Sciences program under Grant No. EDCBEE, DOE Contract DE-AC02-05CH11231. Collaborative NMR characterization experiments at Stony Brook University were supported by the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. DOE, BES under award no. DE-SC0001294. This work was also supported in part by Robert Bosch GmbH and Umicore Specialty Oxides and Chemicals. NR 37 TC 13 Z9 13 U1 3 U2 82 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL 22 PY 2014 VL 26 IS 14 BP 4200 EP 4206 DI 10.1021/cm5014174 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AL9OU UT WOS:000339471400022 ER PT J AU Vasilev, C Johnson, MP Gonzales, E Wang, L Ruban, AV Montano, G Cadby, AJ Hunter, CN AF Vasilev, Cvetelin Johnson, Matthew P. Gonzales, Edward Wang, Lin Ruban, Alexander V. Montano, Gabriel Cadby, Ashley J. Hunter, C. Neil TI Reversible Switching between Nonquenched and Quenched States in Nanoscale Linear Arrays of Plant Light-Harvesting Antenna Complexes SO LANGMUIR LA English DT Article ID ENHANCED FLUORESCENCE SPECTROSCOPY; NANOIMPRINT LITHOGRAPHY; IMPRINT LITHOGRAPHY; PHOTOSYSTEM-II; PHOTOSYNTHETIC PROTEIN; ENERGY-DISSIPATION; NANOMETER ARRAYS; CLICK REACTIONS; CHLOROPHYLL-A; FEATURE SIZE AB A simple and robust nanolithographic method that allows sub-100 nm chemical patterning on a range of oxide surfaces was developed in order to fabricate nanoarrays of plant light-harvesting LHCII complexes. The site-specific immobilization and the preserved functionality of the LHCII complexes were confirmed by fluorescence emission spectroscopy. Nanopatterned LHCII trimers could be reversibly switched between fluorescent and quenched states by controlling the detergent concentration in the imaging buffer. A 3-fold quenching of the average fluorescence intensity was accompanied by a decrease in the average (amplitude-weighted) fluorescence lifetime from approximately 2.24 ns to approximately 0.4 ns, attributed to the intrinsic ability of LHCII to switch between fluorescent and quenched states upon changes in its conformational state. The nanopatterning methodology was extended by immobilizing a second protein, the enhanced green fluorescent protein (EGFP), onto LHCII-free areas of the chemically patterned surfaces. This very simple surface chemistry, which allows simultaneous selective immobilization and therefore sorting of the two types of protein molecules on the surface, is a key underpinning step toward the integration of LHCII into switchable biohybrid antenna constructs. C1 [Vasilev, Cvetelin; Johnson, Matthew P.; Wang, Lin; Hunter, C. Neil] Univ Sheffield, Dept Mol Biol & Biotechnol, Sheffield S10 2TN, S Yorkshire, England. [Gonzales, Edward; Montano, Gabriel] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Wang, Lin; Cadby, Ashley J.] Univ Sheffield, Dept Phys & Astron, Sheffield S3 7RH, S Yorkshire, England. [Ruban, Alexander V.] Queen Mary Univ London, Sch Biol & Chem Sci, London E1 4NS, England. RP Vasilev, C (reprint author), Univ Sheffield, Dept Mol Biol & Biotechnol, Western Bank, Sheffield S10 2TN, S Yorkshire, England. EM c.vasilev@sheffield.ac.uk RI Vasilev, Cvetelin/B-3937-2016; OI Vasilev, Cvetelin/0000-0002-0536-882X; Johnson, Matthew/0000-0002-1663-0205; Cadby, Ashley/0000-0002-5472-8625 FU BBSRC (U.K.); Leverhulme Trust; Krebs Institute at the University of Sheffield; Project Sunshine, University of Sheffield; Photosynthetic Antenna Research Center (PARC), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC 0001035]; PARC FX C.V. and C.N.H. gratefully acknowledge support from the BBSRC (U.K.), and M.P.J. was supported by a fellowship from the Leverhulme Trust, the Krebs Institute at the University of Sheffield, and Project Sunshine, University of Sheffield. This work was also supported as part of the Photosynthetic Antenna Research Center (PARC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award DE-SC 0001035. PARC's role was to fund L.W. and the fabrication of the master templates by E.G. and G.M. NR 53 TC 3 Z9 3 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 22 PY 2014 VL 30 IS 28 BP 8481 EP 8490 DI 10.1021/la501483s PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AL9LQ UT WOS:000339463000029 PM 24988144 ER PT J AU Luo, QL Foyevtsova, K Samolyuk, GD Reboredo, FA Dagotto, E AF Luo, Qinlong Foyevtsova, Kateryna Samolyuk, German D. Reboredo, Fernando A. Dagotto, Elbio TI Magnetic states of the five-orbital Hubbard model for one-dimensional iron-based superconductors SO PHYSICAL REVIEW B LA English DT Article ID PNICTIDES; SPIN; PSEUDOPOTENTIALS; CHALCOGENIDES; SEPARATION; LADDERS; TLFES2 AB The magnetic phase diagrams of models for quasi-one-dimensional compounds belonging to the iron-based-superconductor family are presented. The five-orbital Hubbard model and the real-space Hartree-Fock approximation are employed, supplemented by density functional theory to obtain the hopping amplitudes. Phase diagrams are constructed by varying the Hubbard U and Hund J couplings at zero temperature. The study is carried out at electronic density (electrons per iron) n = 5.0, which is of relevance for the already-known material T1FeSe(2), and also at n = 6.0, where representative compounds still need to be synthesized. At n = 5.0 there is a clear dominance of staggered spin order along the chain direction. At n = 6.0 and with the realistic Hund coupling J/U = 0.25, the phase diagram is far richer, including a variety of "block" states involving ferromagnetic clusters that are antiferromagnetically coupled, in qualitative agreement with recent density matrix renormalization group calculations for the three-orbital Hubbard model in a different context. These block states arise from the competition between ferromagnetic order (induced by double exchange and prevailing at large J/U) and antiferromagnetic order (dominating at small J/U). The density of states and orbital compositions of the many phases are also provided. C1 [Luo, Qinlong; Dagotto, Elbio] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Luo, Qinlong; Foyevtsova, Kateryna; Samolyuk, German D.; Reboredo, Fernando A.; Dagotto, Elbio] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Luo, QL (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. FU US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX We thank Julian Rincon for useful conversations. The work of the authors was supported by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. NR 54 TC 6 Z9 6 U1 1 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 22 PY 2014 VL 90 IS 3 AR 035128 DI 10.1103/PhysRevB.90.035128 PG 10 WC Physics, Condensed Matter SC Physics GA AL9SR UT WOS:000339481800001 ER PT J AU Adamson, P Anghel, I Aurisano, A Barr, G Bishai, M Blake, A Bock, GJ Bogert, D Cao, SV Castromonte, CM Childress, S Coelho, JAB Corwin, L Cronin-Hennessy, D de Jong, JK Devan, AV Devenish, NE Diwan, MV Escobar, CO Evans, JJ Falk, E Feldman, GJ Fields, TH Frohne, MV Gallagher, HR Gomes, RA Goodman, MC Gouffon, P Graf, N Gran, R Grzelak, K Habig, A Hahn, SR Hartnell, J Hatcher, R Holin, A Huang, J Hylen, J Irwin, GM Isvan, Z James, C Jensen, D Kafka, T Kasahara, SMS Koizumi, G Kordosky, M Kreymer, A Lang, K Ling, J Litchfield, PJ Lucas, P Mann, WA Marshak, ML Mathis, M Mayer, N McGivern, C Medeiros, MM Mehdiyev, R Meier, JR Messier, MD Miller, WH Mishra, SR Sher, SM Moore, CD Mualem, L Musser, J Naples, D Nelson, JK Newman, HB Nichol, RJ Nowak, JA O'Connor, J Orchanian, M Osprey, S Pahlka, RB Paley, J Patterson, RB Pawloski, G Perch, A Phan-Budd, S Plunkett, RK Poonthottathil, N Qiu, X Radovic, A Rebel, B Rosenfeld, C Rubin, HA Sanchez, MC Schneps, J Schreckenberger, A Schreiner, P Sharma, R Sousa, A Tagg, N Talaga, RL Thomas, J Thomson, MA Tian, X Timmons, A Tognini, SC Toner, R Torretta, D Urheim, J Vahle, P Viren, B Weber, A Webb, RC White, C Whitehead, L Whitehead, LH Wojcicki, SG Zwaska, R AF Adamson, P. Anghel, I. Aurisano, A. Barr, G. Bishai, M. Blake, A. Bock, G. J. Bogert, D. Cao, S. V. Castromonte, C. M. Childress, S. Coelho, J. A. B. Corwin, L. Cronin-Hennessy, D. de Jong, J. K. Devan, A. V. Devenish, N. E. Diwan, M. V. Escobar, C. O. Evans, J. J. Falk, E. Feldman, G. J. Fields, T. H. Frohne, M. V. Gallagher, H. R. Gomes, R. A. Goodman, M. C. Gouffon, P. Graf, N. Gran, R. Grzelak, K. Habig, A. Hahn, S. R. Hartnell, J. Hatcher, R. Holin, A. Huang, J. Hylen, J. Irwin, G. M. Isvan, Z. James, C. Jensen, D. Kafka, T. Kasahara, S. M. S. Koizumi, G. Kordosky, M. Kreymer, A. Lang, K. Ling, J. Litchfield, P. J. Lucas, P. Mann, W. A. Marshak, M. L. Mathis, M. Mayer, N. McGivern, C. Medeiros, M. M. Mehdiyev, R. Meier, J. R. Messier, M. D. Miller, W. H. Mishra, S. R. Sher, S. Moed Moore, C. D. Mualem, L. Musser, J. Naples, D. Nelson, J. K. Newman, H. B. Nichol, R. J. Nowak, J. A. O'Connor, J. Orchanian, M. Osprey, S. Pahlka, R. B. Paley, J. Patterson, R. B. Pawloski, G. Perch, A. Phan-Budd, S. Plunkett, R. K. Poonthottathil, N. Qiu, X. Radovic, A. Rebel, B. Rosenfeld, C. Rubin, H. A. Sanchez, M. C. Schneps, J. Schreckenberger, A. Schreiner, P. Sharma, R. Sousa, A. Tagg, N. Talaga, R. L. Thomas, J. Thomson, M. A. Tian, X. Timmons, A. Tognini, S. C. Toner, R. Torretta, D. Urheim, J. Vahle, P. Viren, B. Weber, A. Webb, R. C. White, C. Whitehead, L. Whitehead, L. H. Wojcicki, S. G. Zwaska, R. CA MINOS Collaboration TI Observation of muon intensity variations by season with the MINOS near detector SO PHYSICAL REVIEW D LA English DT Article ID ERA-INTERIM; PERFORMANCE; MWE AB A sample of 1.53 x 10(9) cosmic-ray-induced single muon events has been recorded at 225 m water equivalent using the MINOS near detector. The underground muon rate is observed to be highly correlated with the effective atmospheric temperature. The coefficient alpha(T), relating the change in the muon rate to the change in the vertical effective temperature, is determined to be 0.428 +/- 0.003(stat.) +/- 0.059(syst.). An alternative description is provided by the weighted effective temperature, introduced to account for the differences in the temperature profile and muon flux as a function of zenith angle. Using the latter estimation of temperature, the coefficient is determined to be 0.352 +/- 0.003(stat.) +/- 0.046(syst.). C1 [Anghel, I.; Fields, T. H.; Goodman, M. C.; Paley, J.; Phan-Budd, S.; Sanchez, M. C.; Schreiner, P.; Talaga, R. L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Bishai, M.; Diwan, M. V.; Isvan, Z.; Ling, J.; Viren, B.; Whitehead, L.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Mualem, L.; Newman, H. B.; Orchanian, M.; Patterson, R. B.] CALTECH, Lauritsen Lab, Pasadena, CA 91125 USA. [Blake, A.; Thomson, M. A.; Toner, R.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Coelho, J. A. B.; Escobar, C. O.] Univ Estadual Campinas, IFGW UNICAMP, BR-13083970 Campinas, SP, Brazil. [Aurisano, A.; Sousa, A.] Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA. [Adamson, P.; Bock, G. J.; Bogert, D.; Childress, S.; Hahn, S. R.; Hatcher, R.; Hylen, J.; James, C.; Jensen, D.; Koizumi, G.; Kreymer, A.; Lucas, P.; Sher, S. Moed; Moore, C. D.; Pahlka, R. B.; Plunkett, R. K.; Poonthottathil, N.; Rebel, B.; Sharma, R.; Torretta, D.; Zwaska, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Castromonte, C. M.; Gomes, R. A.; Medeiros, M. M.; Tognini, S. C.] Univ Fed Goias, Inst Fis, BR-74001970 Goiania, Go, Brazil. [Feldman, G. J.; Sousa, A.; Toner, R.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Frohne, M. V.] Coll Holy Cross, Notre Dame, IN 46556 USA. [Whitehead, L.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Graf, N.; Rubin, H. A.; White, C.] IIT, Dept Phys, Chicago, IL 60616 USA. [Corwin, L.; Mayer, N.; Messier, M. D.; Urheim, J.] Indiana Univ, Bloomington, IN 47405 USA. [Anghel, I.; Sanchez, M. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Holin, A.; Nichol, R. J.; O'Connor, J.; Perch, A.; Radovic, A.; Thomas, J.; Whitehead, L. H.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Evans, J. J.; Timmons, A.] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Cronin-Hennessy, D.; Kasahara, S. M. S.; Litchfield, P. J.; Marshak, M. L.; Meier, J. R.; Miller, W. H.; Nowak, J. A.; Pawloski, G.; Schreckenberger, A.] Univ Minnesota, Minneapolis, MN 55455 USA. [Gran, R.; Habig, A.] Univ Minnesota, Dept Phys, Duluth, MN 55812 USA. [Tagg, N.] Otterbein Coll, Westerville, OH 43081 USA. [Barr, G.; de Jong, J. K.; Osprey, S.; Weber, A.] Univ Oxford, Subdept Particle Phys, Oxford OX1 3RH, England. [Isvan, Z.; McGivern, C.; Naples, D.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Litchfield, P. J.; Weber, A.] Rutherford Appleton Lab, Sci & Technol Facil Council, Didcot OX11 0QX, Oxon, England. [Gouffon, P.] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. [Mishra, S. R.; Rosenfeld, C.; Tian, X.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Irwin, G. M.; Pawloski, G.; Qiu, X.; Wojcicki, S. G.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Devenish, N. E.; Falk, E.; Hartnell, J.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Webb, R. C.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Cao, S. V.; Huang, J.; Lang, K.; Mehdiyev, R.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Coelho, J. A. B.; Gallagher, H. R.; Kafka, T.; Mann, W. A.; Mayer, N.; Schneps, J.] Tufts Univ, Dept Phys, Medford, MA 02155 USA. [Grzelak, K.] Univ Warsaw, Dept Phys, PL-00681 Warsaw, Poland. [Devan, A. V.; Kordosky, M.; Mathis, M.; Nelson, J. K.; Vahle, P.] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. RP Adamson, P (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RI Coelho, Joao/D-3546-2013; Castromonte Flores, Cesar Manuel/O-6177-2014; Evans, Justin/P-4981-2014; Gomes, Ricardo/B-6899-2008; Gouffon, Philippe/I-4549-2012; Nowak, Jaroslaw/P-2502-2016; Osprey, Scott/P-6621-2016; Ling, Jiajie/I-9173-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; OI Cao, Son/0000-0002-9046-5324; Weber, Alfons/0000-0002-8222-6681; Castromonte Flores, Cesar Manuel/0000-0002-9559-3704; Evans, Justin/0000-0003-4697-3337; Gomes, Ricardo/0000-0003-0278-4876; Gouffon, Philippe/0000-0001-7511-4115; Nowak, Jaroslaw/0000-0001-8637-5433; Osprey, Scott/0000-0002-8751-1211; Ling, Jiajie/0000-0003-2982-0670; Corwin, Luke/0000-0001-7143-3821; Hartnell, Jeffrey/0000-0002-1744-7955 FU U.S. DOE; United Kingdom STFC; U.S. NSF; state of Minnesota; Brazil FAPESP; Brazil CNPq; Brazil CAPES; University of Minnesota FX This work was supported by the U.S. DOE, the United Kingdom STFC, the U.S. NSF, the state of Minnesota and University of Minnesota, and Brazil's FAPESP, CNPq and CAPES. We are grateful to the personnel of Fermilab for their contributions to the experiment. NR 25 TC 1 Z9 1 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 22 PY 2014 VL 90 IS 1 AR 012010 DI 10.1103/PhysRevD.90.012010 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AL9TA UT WOS:000339482900001 ER PT J AU Phelan, WA Koohpayeh, SM Cottingham, P Freeland, JW Leiner, JC Broholm, CL McQueen, TM AF Phelan, W. A. Koohpayeh, S. M. Cottingham, P. Freeland, J. W. Leiner, J. C. Broholm, C. L. McQueen, T. M. TI Correlation between Bulk Thermodynamic Measurements and the Low-Temperature-Resistance Plateau in Sm B-6 SO PHYSICAL REVIEW X LA English DT Article ID VALENCE SEMICONDUCTOR SMB6; SINGLE DIRAC CONE; TOPOLOGICAL INSULATORS; KONDO INSULATOR; NEUTRON-SCATTERING; CIRCULAR-DICHROISM; GROUND-STATE; SURFACE; GAP; LATTICE AB Topological insulators are materials characterized by dissipationless, spin-polarized surface states resulting from nontrivial band topologies. Recent theoretical models and experiments suggest that SmB6 is the first topological Kondo insulator, in which the topologically nontrivial band structure results from electron-electron interactions via Kondo hybridization. Here, we report that the surface conductivity of SmB6 increases systematically with bulk carbon content. Further, addition of carbon is linked to an increase in n-type carriers, larger low-temperature electronic contributions to the specific heat with a characteristic temperature scale of T* = 17 K, and a broadening of the crossover to the insulating state. Additionally, x-ray absorption spectroscopy shows a change in Sm valence at the surface. Our results highlight the importance of phonon dynamics in producing a Kondo insulating state and demonstrate a correlation between the bulk thermodynamic state and the low-temperature resistance of SmB6. C1 [Phelan, W. A.; Cottingham, P.; McQueen, T. M.] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. [Phelan, W. A.; Koohpayeh, S. M.; Cottingham, P.; Broholm, C. L.; McQueen, T. M.] Johns Hopkins Univ, Dept Phys & Astron, Inst Quantum Matter, Baltimore, MD 21218 USA. [Freeland, J. W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Leiner, J. C.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP McQueen, TM (reprint author), Johns Hopkins Univ, Dept Chem, Charles & 34Th St, Baltimore, MD 21218 USA. EM mcqueen@jhu.edu FU U.S. Department of Energy, office of Basic Energy Sciences, Division of Material Sciences and Engineering [DE-FG02-08ER46544]; David and Lucile Packard Foundation; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank J. Checkelsky, N. P. Armitage, and O. Tchernyshyov for useful discussions, C. L. Chien for providing some sample materials, N. Laurita for sample manipulations, and N. Hartman for assistance with the SEM data collection. The work at IQM was supported by the U.S. Department of Energy, office of Basic Energy Sciences, Division of Material Sciences and Engineering under Grant No. DE-FG02-08ER46544. T. M. M. acknowledges support from the David and Lucile Packard Foundation. Work at Argonne National Laboratory and use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. NR 58 TC 30 Z9 30 U1 7 U2 46 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2160-3308 J9 PHYS REV X JI Phys. Rev. X PD JUL 22 PY 2014 VL 4 IS 3 AR 031012 DI 10.1103/PhysRevX.4.031012 PG 10 WC Physics, Multidisciplinary SC Physics GA AL9TG UT WOS:000339483800001 ER PT J AU Yu, XH Zhu, JL Du, SY Xu, HW Vogel, SC Han, JT Germann, TC Zhang, JZ Jin, CQ Francisco, JS Zhao, YS AF Yu, Xiaohui Zhu, Jinlong Du, Shiyu Xu, Hongwu Vogel, Sven C. Han, Jiantao Germann, Timothy C. Zhang, Jianzhong Jin, Changqing Francisco, Joseph S. Zhao, Yusheng TI Crystal structure and encapsulation dynamics of ice II-structured neon hydrate SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article ID NEUTRON-DIFFRACTION; HIGH-PRESSURE; HYDROGEN; HELIUM AB Neon hydrate was synthesized and studied by in situ neutron diffraction at 480 MPa and temperatures ranging from 260 to 70 K. For the first time to our knowledge, we demonstrate that neon atoms can be enclathrated in water molecules to form ice II-structured hydrates. The guest Ne atoms occupy the centers of D2O channels and have substantial freedom of movement owing to the lack of direct bonding between guest molecules and host lattices. Molecular dynamics simulation confirms that the resolved structure where Ne dissolved in ice II is thermodynamically stable at 480 MPa and 260 K. The density distributions indicate that the vibration of Ne atoms is mainly in planes perpendicular to D2O channels, whereas their distributions along the channels are further constrained by interactions between adjacent Ne atoms. C1 [Yu, Xiaohui; Zhu, Jinlong; Jin, Changqing; Zhao, Yusheng] Chinese Acad Sci, Inst Phys, Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Zhu, Jinlong; Vogel, Sven C.; Han, Jiantao; Zhang, Jianzhong; Zhao, Yusheng] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr Div, Los Alamos, NM 87545 USA. [Du, Shiyu; Germann, Timothy C.] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Du, Shiyu] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Div Funct Mat & Nanodevices, Ningbo 315201, Zhejiang, Peoples R China. [Francisco, Joseph S.] Purdue Univ, Dept Chem, W Lafayette, IN 47906 USA. [Francisco, Joseph S.] Purdue Univ, Dept Earth & Atmospher Sci, W Lafayette, IN 47906 USA. [Zhu, Jinlong; Zhao, Yusheng] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Zhu, Jinlong; Zhao, Yusheng] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Zhu, JL (reprint author), Chinese Acad Sci, Inst Phys, Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. EM jlzhu04@iphy.ac.cn; dushiyu@nimte.ac.cn; francisc@purdue.edu; Yusheng.Zhao@unlv.edu RI han, jiantao/F-8021-2010; OI han, jiantao/0000-0002-9509-3785; Xu, Hongwu/0000-0002-0793-6923; Germann, Timothy/0000-0002-6813-238X; Zhang, Jianzhong/0000-0001-5508-1782; Vogel, Sven C./0000-0003-2049-0361 FU Department of Energy's Office of Basic Energy Sciences; Los Alamos National Laboratory [DEAC52-06NA25396]; Chinese Academy of Sciences [KJCX2-YW-W26, XDB07000000]; National Nuclear Security Administration under the Stewardship Science Academic Alliances program through Department of Energy [DE-NA0001982] FX This work has benefited from the use of the Lujan Neutron Scattering Center at Los Alamos Neutron Science Center, which is funded by the Department of Energy's Office of Basic Energy Sciences. This research was supported by Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under Department of Energy (DOE) Contract DEAC52-06NA25396. The work at Institute of Physics, Chinese Academy of Sciences was funded by the Chinese Academy of Sciences project under Contracts KJCX2-YW-W26 and XDB07000000. This research was sponsored in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through Department of Energy Cooperative Agreement DE-NA0001982. NR 23 TC 5 Z9 5 U1 6 U2 37 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 22 PY 2014 VL 111 IS 29 BP 10456 EP 10461 DI 10.1073/pnas.1410690111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL7JS UT WOS:000339310700028 PM 25002464 ER PT J AU Nobrega, RP Arora, K Kathuria, SV Graceffa, R Barrea, RA Guo, L Chakravarthy, S Bilsel, O Irving, TC Brooks, CL Matthews, CR AF Nobrega, R. Paul Arora, Karunesh Kathuria, Sagar V. Graceffa, Rita Barrea, Raul A. Guo, Liang Chakravarthy, Srinivas Bilsel, Osman Irving, Thomas C. Brooks, Charles L., III Matthews, C. Robert TI Modulation of frustration in folding by sequence permutation SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE CF-SAXS; Go models; CheY permutants; protein-folding intermediates ID ESCHERICHIA-COLI; ENERGY LANDSCAPE; TIM BARREL; PROTEIN; CHEY; APOFLAVODOXIN; SPECTROSCOPY; SIMULATION; MECHANISM; DYNAMICS AB Folding of globular proteins can be envisioned as the contraction of a random coil unfolded state toward the native state on an energy surface rough with local minima trapping frustrated species. These substructures impede productive folding and can serve as nucleation sites for aggregation reactions. However, little is known about the relationship between frustration and its underlying sequence determinants. Chemotaxis response regulator Y (CheY), a 129-amino acid bacterial protein, has been shown previously to populate an off-pathway kinetic trap in the microsecond time range. The frustration has been ascribed to premature docking of the N- and C-terminal subdomains or, alternatively, to the formation of an unproductive local-in-sequence cluster of branched aliphatic side chains, isoleucine, leucine, and valine (ILV). The roles of the subdomains and ILV clusters in frustration were tested by altering the sequence connectivity using circular permutations. Surprisingly, the stability and buried surface area of the intermediate could be increased or decreased depending on the location of the termini. Comparison with the results of small-angle X-ray-scattering experiments and simulations points to the accelerated formation of a more compact, on-pathway species for the more stable intermediate. The effect of chain connectivity in modulating the structures and stabilities of the early kinetic traps in CheY is better understood in terms of the ILV cluster model. However, the subdomain model captures the requirement for an intact N-terminal domain to access the native conformation. Chain entropy and aliphatic-rich sequences play crucial roles in biasing the early events leading to frustration in the folding of CheY. C1 [Nobrega, R. Paul; Kathuria, Sagar V.; Bilsel, Osman; Matthews, C. Robert] Univ Massachusetts, Sch Med, Dept Biochem & Mol Pharmacol, Worcester, MA 01605 USA. [Arora, Karunesh; Brooks, Charles L., III] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. [Arora, Karunesh; Brooks, Charles L., III] Univ Michigan, Biophys Program, Ann Arbor, MI 48109 USA. [Graceffa, Rita] Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany. [Barrea, Raul A.; Guo, Liang; Chakravarthy, Srinivas; Irving, Thomas C.] IIT, Ctr Synchrotron Radiat Res & Instrumentat, Biophys Collaborat Access Team, Chicago, IL 60616 USA. [Barrea, Raul A.; Guo, Liang; Chakravarthy, Srinivas; Irving, Thomas C.] IIT, Dept Biol & Chem Sci, Chicago, IL 60616 USA. RP Brooks, CL (reprint author), Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. EM brookscl@umich.edu; c.robert.matthews@umassmed.edu RI Kathuria, Sagar/A-7473-2008; ID, BioCAT/D-2459-2012; Graceffa, Rita/F-4073-2015 OI Graceffa, Rita/0000-0002-8815-8640 FU National Institutes of Health (NIH) through the Center for Multi-Scale Modeling Tools for Structural Biology Grant [RR012255]; National Science Foundation through the Center for Theoretical Biological Physics Grant [PHY0216576]; Division of Molecular and Cellular Biosciences Grant [MCB1121942]; National Center for Research Resources Grant [2P41RR008630-17]; NIH/National Institute of GeneralMedical Sciences Grant [9 P41 GM103622-17]; US DOE [DE-AC02-06CH11357]; National Institute of General Medical Sciences of the National Institutes of Health [9 P41 GM103622] FX We thank Jill Zitzewitz and Noah Cohen for helpful discussions, Ornella Bisceglia for helping with protein preparation, and Ronald Hills for help in revising the paper. This work was supported by the National Institutes of Health (NIH) through the Center for Multi-Scale Modeling Tools for Structural Biology Grant RR012255, the National Science Foundation through the Center for Theoretical Biological Physics Grant PHY0216576, the Division of Molecular and Cellular Biosciences Grant MCB1121942, National Center for Research Resources Grant 2P41RR008630-17, and NIH/National Institute of GeneralMedical Sciences Grant 9 P41 GM103622-17. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. This project was supported by Grant 9 P41 GM103622 from the National Institute of General Medical Sciences of the National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily reflect the official views of the National Institute of General Medical Sciences or the National Institutes of Health. NR 32 TC 10 Z9 10 U1 0 U2 16 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 22 PY 2014 VL 111 IS 29 BP 10562 EP 10567 DI 10.1073/pnas.1324230111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL7JS UT WOS:000339310700046 PM 25002512 ER PT J AU Jarmoskaite, I Bhaskaran, H Seifert, S Russell, R AF Jarmoskaite, Inga Bhaskaran, Hari Seifert, Soenke Russell, Rick TI DEAD-box protein CYT-19 is activated by exposed helices in a group I intron RNA SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE RNA folding; RNA misfolding; RNA tertiary structure; RNA unwinding; superfamily 2 helicase ID X-RAY-SCATTERING; SINGLE-MOLECULE ANALYSIS; TETRAHYMENA RIBOZYME; CHAPERONE ACTIVITY; CRYSTAL-STRUCTURE; STRUCTURAL BASIS; ATP HYDROLYSIS; RIBOSOMAL-RNA; GENERAL RNA; HELICASES AB DEAD-box proteins are nonprocessive RNA helicases and can function as RNA chaperones, but the mechanisms of their chaperone activity remain incompletely understood. The Neurospora crassa DEAD-box protein CYT-19 is a mitochondrial RNA chaperone that promotes group I intron splicing and has been shown to resolve misfolded group I intron structures, allowing them to refold. Building on previous results, here we use a series of tertiary contact mutants of the Tetrahymena group I intron ribozyme to demonstrate that the efficiency of CYT-19-mediated unfolding of the ribozyme is tightly linked to global RNA tertiary stability. Efficient unfolding of destabilized ribozyme variants is accompanied by increased ATPase activity of CYT-19, suggesting that destabilized ribozymes provide more productive interaction opportunities. The strongest ATPase stimulation occurs with a ribozyme that lacks all five tertiary contacts and does not form a compact structure, and small-angle X-ray scattering indicates that ATPase activity tracks with ribozyme compactness. Further, deletion of three helices that are prominently exposed in the folded structure decreases the ATPase stimulation by the folded ribozyme. Together, these results lead to a model in which CYT-19, and likely related DEAD-box proteins, rearranges complex RNA structures by preferentially interacting with and unwinding exposed RNA secondary structure. Importantly, this mechanism could bias DEAD-box proteins to act on misfolded RNAs and ribonucleoproteins, which are likely to be less compact and more dynamic than their native counterparts. C1 [Jarmoskaite, Inga; Bhaskaran, Hari; Russell, Rick] Univ Texas Austin, Dept Mol Biosci, Austin, TX 78712 USA. [Seifert, Soenke] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Russell, R (reprint author), Univ Texas Austin, Dept Mol Biosci, Austin, TX 78712 USA. EM rick_russell@cm.utexas.edu FU National Institute of General Medical Sciences Grant [GM070456]; Welch Foundation Grant [F-1563] FX We thank Dan Herschlag for providing the plasmid for the quintuple mutant and members of the R.R. laboratory for helpful comments and discussions. This work was supported by National Institute of General Medical Sciences Grant GM070456 (to R.R.) and Welch Foundation Grant F-1563. NR 65 TC 10 Z9 11 U1 2 U2 6 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 22 PY 2014 VL 111 IS 29 BP E2928 EP E2936 DI 10.1073/pnas.1404307111 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL7JS UT WOS:000339310700004 PM 25002474 ER PT J AU Chibucos, MC Mungall, CJ Balakrishnan, R Christie, KR Huntley, RP White, O Blake, JA Lewis, SE Giglio, M AF Chibucos, Marcus C. Mungall, Christopher J. Balakrishnan, Rama Christie, Karen R. Huntley, Rachael P. White, Owen Blake, Judith A. Lewis, Suzanna E. Giglio, Michelle TI Standardized description of scientific evidence using the Evidence Ontology (ECO) SO DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION LA English DT Article ID DATABASE; DOMAIN AB The Evidence Ontology (ECO) is a structured, controlled vocabulary for capturing evidence in biological research. ECO includes diverse terms for categorizing evidence that supports annotation assertions including experimental types, computational methods, author statements and curator inferences. Using ECO, annotation assertions can be distinguished according to the evidence they are based on such as those made by curators versus those automatically computed or those made via high-throughput data review versus single test experiments. Originally created for capturing evidence associated with Gene Ontology annotations, ECO is now used in other capacities by many additional annotation resources including UniProt, Mouse Genome Informatics, Saccharomyces Genome Database, PomBase, the Protein Information Resource and others. Information on the development and use of ECO can be found at http://evidenceontology.org. The ontology is freely available under Creative Commons license (CC BY-SA 3.0), and can be downloaded in both Open Biological Ontologies and Web Ontology Language formats at http://code.google.com/p/evidenceontology. Also at this site is a tracker for user submission of term requests and questions. ECO remains under active development in response to user-requested terms and in collaborations with other ontologies and database resources. C1 [Chibucos, Marcus C.; White, Owen; Giglio, Michelle] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA. [Chibucos, Marcus C.] Univ Maryland, Sch Med, Dept Microbiol & Immunol, Baltimore, MD 21201 USA. [Mungall, Christopher J.; Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Balakrishnan, Rama] Stanford Univ, Dept Genet, Saccharomyces Genome Database, Stanford, CA 94305 USA. [Christie, Karen R.] Jackson Lab, Bar Harbor, ME 04609 USA. [Huntley, Rachael P.] European Bioinformat Inst EMBL EBI, European Mol Biol Lab, Cambridge CB10 1SD, England. [White, Owen] Univ Maryland, Sch Med, Dept Epidemiol, Baltimore, MD 21201 USA. [Giglio, Michelle] Univ Maryland, Sch Med, Dept Med, Baltimore, MD 21201 USA. RP Chibucos, MC (reprint author), Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA. EM mchibucos@som.umaryland.edu RI Huntley, Rachael/R-1036-2016; OI Huntley, Rachael/0000-0001-6718-3559; Christie, Karen/0000-0001-5501-853X; Chibucos, Marcus/0000-0001-9586-0780 FU National Institutes of Health [R01 GM089636]; US National Human Genome Research Institute [U41-HG002223]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX National Institutes of Health (R01 GM089636), US National Human Genome Research Institute (U41-HG002223), and Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy (DE-AC02-05CH11231 to C.M. and S.L.). NR 21 TC 23 Z9 23 U1 1 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1758-0463 J9 DATABASE-OXFORD JI Database PD JUL 22 PY 2014 AR bau066 DI 10.1093/database/bau075 PG 11 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA AL8IQ UT WOS:000339382200001 ER PT J AU Piao, H Lachman, M Malfatti, S Sczyrba, A Knierim, B Auer, M Tringe, SG Mackie, RI Yeoman, CJ Hess, M AF Piao, Hailan Lachman, Medora Malfatti, Stephanie Sczyrba, Alexander Knierim, Bernhard Auer, Manfred Tringe, Susannah G. Mackie, Roderick I. Yeoman, Carl J. Hess, Matthias TI Temporal dynamics of fibrolytic and rnethanogenic rumen microorganisms during in situ incubation of switchgrass determined by 16S rRNA gene profiling SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE rumen microbiology; microbe-microbe interactions; cellulolytic bacteria; methanogenic archaea; interspecies H-2 transfer ID BOVINE RUMEN; RUMINOCOCCUS-FLAVEFACIENS; CELLULOLYTIC BACTERIA; PERENNIAL RYEGRASS; ANAEROBIC FUNGI; COLONIZATION; FERMENTATION; METHANOGENS; RUMINANTIUM; METABOLISM AB The rumen microbial ecosystem is known for its biomass-degrading and methane-producing phenotype. Fermentation of recalcitrant plant material, comprised of a multitude of interwoven fibers, necessitates the synergistic activity of diverse microbial taxonomic groups that inhabit the anaerobic rumen ecosystem. Although interspecies hydrogen (H-2) transfer, a process during which bacterially generated H2 is transferred to methanogenic Archaea, has obtained significant attention over the last decades, the temporal variation of the different taxa involved in in situ biomass-degradation, H2 transfer and the methanogenesis process remains to be established. Here we investigated the temporal succession of microbial taxa and its effect on fiber composition during rumen incubation using 16S rRNA amplicon sequencing. Switchgrass filled nylon bags were placed in the rumen of a cannulated cow and collected at nine time points for DNA extraction and 16S pyrotag profiling. The microbial community colonizing the air-dried and non-incubated (0 h) switchgrass was dominated by members of the Bacilli (recruiting 63% of the pyrotag reads). During in situ incubation of the switchgrass, two major shifts in the community composition were observed: Bacilli were replaced within 30 min by members belonging to the Bacteroidia and Clostridia, which recruited 34 and 25% of the 16S rRNA reads generated, respectively. A second significant shift was observed after 16h of rumen incubation, when members of the Spirochaetes and Fibrobacteria classes became more abundant in the fiber-adherent community. During the first 30 min of rumen incubation similar to 13% of the switchgrass dry matter was degraded, whereas little biomass degradation appeared to have occurred between 30 min and 4h after the switchgrass was placed in the rumen. Interestingly, methanogenic members of the Euryarchaeota (i.e., Methanobacteria) increased up to 3-fold during this period of reduced biomass-degradation, with peak abundance just before rates of dry matter degradation increased again. We hypothesize that during this period microbial-mediated fibrolysis was temporarily inhibited until H-2 was metabolized into CH4 by methanogens. Collectively, our results demonstrate the importance of inter-species interactions for the biomass-degrading and methane-producing phenotype of the rumen microbiome both microbially facilitated processes with global significance. C1 [Piao, Hailan; Hess, Matthias] Washington State Univ, Sch Mol Biosci, Syst Microbiol & Biotechnol Grp, Richland, WA 99354 USA. [Lachman, Medora; Yeoman, Carl J.] Montana State Univ, Dept Anim & Range Sci, Bozeman, MT 59717 USA. [Malfatti, Stephanie] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biosci & Biotechnol Div, Berkeley, CA 94720 USA. [Sczyrba, Alexander] Univ Bielefeld, Fac Technol, D-33615 Bielefeld, Germany. [Sczyrba, Alexander] Univ Bielefeld, Ctr Biotechnol, D-33615 Bielefeld, Germany. [Knierim, Bernhard; Auer, Manfred] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Tringe, Susannah G.; Hess, Matthias] DOE Joint Genome Inst, Prokaryote Super Program, Walnut Creek, CA USA. [Mackie, Roderick I.] Univ Illinois, Dept Anim Sci, Urbana, IL USA. [Mackie, Roderick I.] Univ Illinois, Inst Gen Biol, Urbana, IL USA. [Hess, Matthias] Pacific NW Natl Lab, Energy & Efficiency Div, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. RP Hess, M (reprint author), Washington State Univ, Sch Mol Biosci, Syst Microbiol & Biotechnol Grp, 2710 Crimson Way, Richland, WA 99354 USA. EM mhess@lbl.gov FU Office of Science of the US Department of Energy [DE-AC02-05CH11231]; Energy Biosciences Institute at the University of California, Berkeley FX The work conducted by the US Department of Energy Joint Genome Institute is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. MH was partially funded by the Energy Biosciences Institute at the University of California, Berkeley. We would like to thank Dr. Edward Rubin at the DOE Joint Genome Institute and Dr. Philip Hugenholtz at the University of Queensland for their help and guidance during this project as well as Dr. Anthony Yannarell at the University of Illinois Urbana-Champaign and Anna Engelbrektson for helping us with the DNA extraction and sample preparation. NR 31 TC 11 Z9 11 U1 3 U2 38 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 22 PY 2014 VL 5 AR 307 DI 10.3389/fmicb.2014.00307 PG 11 WC Microbiology SC Microbiology GA AL6XR UT WOS:000339277600001 PM 25101058 ER PT J AU Zhou, YG Li, SA Zhou, WL Zu, XT Gao, F AF Zhou, Yungang Li, Sean Zhou, Weilie Zu, Xiaotao Gao, Fei TI Evidencing the existence of intrinsic half-metallicity and ferromagnetism in zigzag gallium sulfide nanoribbons SO SCIENTIFIC REPORTS LA English DT Article ID GRAPHENE NANORIBBONS; MAGNETIC-PROPERTIES; MOS2 NANORIBBONS; BEHAVIOR; STRAIN; GAS; MONOLAYERS; STABILITY; FIELD AB The achievement of half-metallicity with ferromagnetic (FM) coupling has become a key technology for the development of one-dimensional (1D) nanoribbons for spintronic applications. Unfortunately, in previous studies, such a half-metallicity always occurs upon certain external constraints. Here we, for the first time, demonstrate, via density functional theory (DFT), that the recent experimentally realized gallium sulfide nanoribbons (GaSNRs) can display an intrinsic half-metallic character with FM coupling, raised from Ga-4s, Ga-4p and S-3p states at the Ga-dominated edge. Furthermore, the novel half-metallic behavior with FM coupling here is rather robust, especially for GaSNRs with large width and thickness, and can be sustained to the room temperature. Thus, our results accidentally disclose a new 1D spin nanomaterial, which allows us to go beyond the current scope limited to the graphene, boron nitride (BN), zinc oxide (ZnO) and molybdenum sulfide (MoS2) nanoribbons, toward more realistic spintronic applications. C1 [Zhou, Yungang; Zu, Xiaotao] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China. [Li, Sean] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. [Zhou, Weilie] Univ New Orleans, Adv Mat Res Inst, New Orleans, LA 70148 USA. [Zu, Xiaotao] Univ Elect Sci & Technol China, Inst Fundamental & Frontier Sci, Chengdu 610054, Peoples R China. [Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zhou, YG (reprint author), Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China. EM zhouyungang1@126.com; xtzu@uestc.edu.cn; Fei.Gao@pnnl.gov NR 38 TC 4 Z9 4 U1 9 U2 106 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 22 PY 2014 VL 4 AR 5773 DI 10.1038/srep05773 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL6KH UT WOS:000339240800001 PM 25047122 ER PT J AU Kutsaev, SV Mustapha, B Ostroumov, PN Barcikowski, A Schrage, D Rodnizki, J Berkovits, D AF Kutsaev, S. V. Mustapha, B. Ostroumov, P. N. Barcikowski, A. Schrage, D. Rodnizki, J. Berkovits, D. TI Design and multiphysics analysis of a 176 MHz continuous-wave radio-frequency quadrupole SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB We have developed a new design for a 176 MHz cw radio-frequency quadrupole (RFQ) for the SARAF upgrade project. At this frequency, the proposed design is a conventional four-vane structure. The main design goals are to provide the highest possible shunt impedance while limiting the required rf power to about 120 kW for reliable cw operation, and the length to about 4 meters. If built as designed, the proposed RFQ will be the first four-vane cw RFQ built as a single cavity (no resonant coupling required) that does not require pi-mode stabilizing loops or dipole rods. For this, we rely on very detailed 3D simulations of all aspects of the structure and the level of machining precision achieved on the recently developed ATLAS upgrade RFQ. A full 3D model of the structure including vane modulation was developed. The design was optimized using electromagnetic and multiphysics simulations. Following the choice of the vane type and geometry, the vane undercuts were optimized to produce a flat field along the structure. The final design has good mode separation and should not need dipole rods if built as designed, but their effect was studied in the case of manufacturing errors. The tuners were also designed and optimized to tune the main mode without affecting the field flatness. Following the electromagnetic (EM) design optimization, a multiphysics engineering analysis of the structure was performed. The multiphysics analysis is a coupled electromagnetic, thermal and mechanical analysis. The cooling channels, including their paths and sizes, were optimized based on the limiting temperature and deformation requirements. The frequency sensitivity to the RFQ body and vane cooling water temperatures was carefully studied in order to use it for frequency fine-tuning. Finally, an inductive rf power coupler design based on the ATLAS RFQ coupler was developed and simulated. The EM design optimization was performed using CST MICROWAVE STUDIO and the results were verified using both HFSS and ANSYS. The engineering analysis was performed using HFSS and ANSYS and most of the results were verified using the newly developed CST MULTIPHYSICS package. C1 [Kutsaev, S. V.; Mustapha, B.; Ostroumov, P. N.; Barcikowski, A.] ANL, Argonne, IL 60439 USA. [Schrage, D.] TechSource, Los Alamos, NM 87544 USA. [Rodnizki, J.; Berkovits, D.] Soreq NRC, IL-81800 Yavne, Israel. RP Kutsaev, SV (reprint author), ANL, Argonne, IL 60439 USA. EM kutsaev@anl.gov OI Kutsaev, Sergey/0000-0003-4996-2545 FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; ANL WFO [85Y47] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357 and ANL WFO No. 85Y47. NR 16 TC 2 Z9 2 U1 3 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD JUL 21 PY 2014 VL 17 IS 7 AR 072001 DI 10.1103/PhysRevSTAB.17.072001 PG 11 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CJ5VV UT WOS:000355561300002 ER PT J AU Shao, JH Chen, HB Du, YC Gai, W Huang, WH Jing, CG Shi, JR Tang, CX Wang, FY Yan, LX AF Shao, Jiahang Chen, Huaibi Du, Yingchao Gai, Wei Huang, Wenhui Jing, Chunguang Shi, Jiaru Tang, Chuanxiang Wang, Faya Yan, Lixin TI Observation of temporal evolution following laser triggered rf breakdown in vacuum SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB Radio frequency breakdown is one of the fundamental phenomena that limits the operational performance of most of high power and high gradient vacuum rf devices. We report on experimental results of rf breakdown in an S-band photocathode gun triggered by an intensity controlled laser. Through measurement and analysis of the time dependence of the collected current at the gun exit and the stored rf energy in the cavity, one can gain insight into the time evolution of the rf breakdown process. Multiple breakdowns were observed within one rf pulse due to power flow between cells after the initial emission. Similarities of the laser-triggered breakdowns to those occurring in the course of cavity conditioning and normal operation are found by comparing the postbreakdown signals in both cases. It is shown that an intense laser can offer a more controllable and flexible method for rf breakdown studies. C1 [Shao, Jiahang; Chen, Huaibi; Du, Yingchao; Huang, Wenhui; Shi, Jiaru; Tang, Chuanxiang; Yan, Lixin] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Shao, Jiahang; Gai, Wei; Jing, Chunguang] Argonne Natl Lab, Lemont, IL 60439 USA. [Jing, Chunguang] Euclid Techlabs, Solon, OH 44139 USA. [Wang, Faya] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. RP Shao, JH (reprint author), Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. EM shaojh07@mails.tsinghua.edu.cn; jingchg@anl.gov FU National Natural Science Foundation of China [11135004]; U.S. Department of Energy Early Career Research Program [LAB 11-572]; U.S. Department of Energy Office of Science [DE-AC02-06CH11357] FX We would like to thank Jin Yang, Dan Wang and Zhen Zhang from Tsinghua University and Sergey V. Baryshev from Euclid Techlabs LLC for their support during the experiment. The work at Tsinghua University is supported by National Natural Science Foundation of China under Grant No. 11135004. The work by Faya Wang is funded through the U.S. Department of Energy Early Career Research Program under project code LAB 11-572. The work by Wei Gai and Chunguang Jing is funded through the U.S. Department of Energy Office of Science under Contract No. DE-AC02-06CH11357. NR 33 TC 2 Z9 2 U1 3 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD JUL 21 PY 2014 VL 17 IS 7 AR 072002 DI 10.1103/PhysRevSTAB.17.072002 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CJ5VV UT WOS:000355561300003 ER PT J AU Rontsch, R Schulze, M AF Roentsch, Raoul Schulze, Markus TI Constraining couplings of top quarks to the Z boson in t(t)over-bar + Z production at the LHC SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE QCD Phenomenology; NLO Computations ID ONE-LOOP CALCULATIONS; STANDARD MODEL; LHC; DECAYS; HIGGS; AMPLITUDES; PHYSICS; LEVEL; MASS AB We study top quark pair production in association with a Z boson at the Large Hadron Collider (LHC) and investigate the prospects of measuring the couplings of top quarks to the Z boson. To date these couplings have not been constrained in direct measurements. Such a determination will be possible for the first time at the LHC. Our calculation improves previous coupling studies through the inclusion of next-to-leading order (NLO) QCD corrections in production and decays of all unstable particles. We treat top quarks in the narrow-width approximation and retain all NLO spin correlations. To determine the sensitivity of a coupling measurement we perform a binned log-likelihood ratio test based on normalization and shape information of the angle between the leptons from the Z boson decay. The obtained limits account for statistical uncertainties as well as leading theoretical systematics from residual scale dependence and parton distribution functions. We use current CMS data to place the first direct constraints on the t (t) over barZ couplings. We also consider the upcoming high-energy LHC run and find that with 300 fb(-1) of data at an energy of 13TeV the vector and axial t (t) over barZ coupling can be constrained at the 95% confidence level to C-V = 0.24(-0.85)(+0.39) and C-Lambda = -0.60(-0.18)(+0.14), where the central values are the Standard Model predictions. This is a reduction of uncertainties by 25% and 42%, respectively, compared to an analysis based on leading-order predictions. We also translate these results into limits on dimension-six operators contributing to the t _ tZ interactions beyond the Standard Model. C1 [Roentsch, Raoul] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. CERN, PH Dept, TH Unit, CH-1211 Geneva 23, Switzerland. RP Rontsch, R (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM rontsch@fnal.gov; markus.schulze@cern.ch FU United States Department of Energy [De-AC02-07CH11359]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge helpful conversations with P. Agrawal, J. Campbell, R. K. Ellis, Y. Gao and N. Tran. Fermilab is operated by Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359 with the United States Department of Energy. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 82 TC 15 Z9 15 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL 21 PY 2014 IS 7 AR 91 DI 10.1007/JHEP07(2014)091 PG 27 WC Physics, Particles & Fields SC Physics GA AY9PO UT WOS:000347883100001 ER PT J AU Zhang, F Anderson, S Zheng, X Roberts, E Qiu, Y Liao, R Zhang, X AF Zhang, F. Anderson, S. Zheng, X. Roberts, E. Qiu, Y. Liao, R. Zhang, X. TI Cell force mapping using a double-sided micropillar array based on the moire fringe method SO APPLIED PHYSICS LETTERS LA English DT Article ID MECHANICS AB The mapping of traction forces is crucial to understanding the means by which cells regulate their behavior and physiological function to adapt to and communicate with their local microenvironment. To this end, polymeric micropillar arrays have been used for measuring cell traction force. However, the small scale of the micropillar deflections induced by cell traction forces results in highly inefficient force analyses using conventional optical approaches; in many cases, cell forces may be below the limits of detection achieved using conventional microscopy. To address these limitations, the moire phenomenon has been leveraged as a visualization tool for cell force mapping due to its inherent magnification effect and capacity for whole-field force measurements. This Letter reports an optomechanical cell force sensor, namely, a double-sided micropillar array (DMPA) made of poly(dimethylsiloxane), on which one side is employed to support cultured living cells while the opposing side serves as a reference pattern for generating moire patterns. The distance between the two sides, which is a crucial parameter influencing moire pattern contrast, is predetermined during fabrication using theoretical calculations based on the Talbot effect that aim to optimize contrast. Herein, double-sided micropillar arrays were validated by mapping mouse embryo fibroblast contraction forces and the resulting force maps compared to conventional microscopy image analyses as the reference standard. The DMPA-based approach precludes the requirement for aligning two independent periodic substrates, improves moire contrast, and enables efficient moire pattern generation. Furthermore, the double-sided structure readily allows for the integration of moire-based cell force mapping into microfabricated cell culture environments or lab-on-a-chip devices. (C) 2014 AIP Publishing LLC. C1 [Zhang, F.; Roberts, E.; Zhang, X.] Boston Univ, Dept Mech Engn, Boston, MA 02215 USA. [Zhang, F.] Tsinghua Univ, Dept Precis Instrument, Beijing 100084, Peoples R China. [Anderson, S.] Boston Univ, Dept Radiol, Med Ctr, Boston, MA 02118 USA. [Zheng, X.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Qiu, Y.; Liao, R.] Brigham & Womens Hosp, Dept Med, Boston, MA 02115 USA. RP Zhang, X (reprint author), Boston Univ, Dept Mech Engn, Boston, MA 02215 USA. EM xinz@bu.edu RI Zhang, Xin/B-9244-2009 OI Zhang, Xin/0000-0002-4413-5084 FU National Science Foundation [CMMI-0826191, CBET-0933653]; China Scholarship Council (CSC); National Program for Significant Scientific Instruments Development of China [2011YQ030134]; National Natural Science Foundation of China [61071002, 51205223] FX This research was supported in part by National Science Foundation CMMI-0826191 and CBET-0933653. F.Z. also acknowledges the fellowship support from China Scholarship Council (CSC), and partial support from National Program for Significant Scientific Instruments Development of China (No. 2011YQ030134) and National Natural Science Foundation of China (No. 61071002, 51205223). NR 19 TC 5 Z9 5 U1 2 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 21 PY 2014 VL 105 IS 3 AR 033702 DI 10.1063/1.4891187 PG 5 WC Physics, Applied SC Physics GA AO2LA UT WOS:000341152300099 ER PT J AU Zhang, Y Liu, ZK Zhou, B Kim, Y Hussain, Z Shen, ZX Chen, YL Mo, SK AF Zhang, Yi Liu, Zhongkai Zhou, Bo Kim, Yeongkwan Hussain, Zahid Shen, Zhi-Xun Chen, Yulin Mo, Sung-Kwan TI Molecular beam epitaxial growth of a three-dimensional topological Dirac semimetal Na3Bi SO APPLIED PHYSICS LETTERS LA English DT Article ID GRAPHENE AB We report a molecular beam epitaxial growth of Na3Bi single-crystal thin films on two different substrates-epitaxial bilayer graphene terminated 6H-SiC(0001) and Si(111). Using reflection high-energy electron diffraction, we found that the lattice orientation of the grown Na3Bi thin film was rotated by 30 degrees respect to the surface lattice orientations of these two substrates. An in-situ angle-resolved photoemission spectroscopy clearly revealed the 3-dimensional Dirac-cone band structure in such thin films. Our approach of growing Na3Bi thin film provides a potential route for further studying its intriguing electronic properties and for fabricating it into practical devices in future. (C) 2014 AIP Publishing LLC. C1 [Zhang, Yi; Zhou, Bo; Kim, Yeongkwan; Hussain, Zahid; Mo, Sung-Kwan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhang, Yi; Liu, Zhongkai; Shen, Zhi-Xun] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Liu, Zhongkai; Zhou, Bo; Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Phys, Stanford, CA 94305 USA. [Liu, Zhongkai; Zhou, Bo; Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Appl Phys, Stanford, CA 94305 USA. [Zhou, Bo; Chen, Yulin] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. RP Zhang, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM YiZhang@lbl.gov; SKMo@lbl.gov RI Zhang, Yi/J-9025-2013; Mo, Sung-Kwan/F-3489-2013; Kim, Yeong Kwan/L-8207-2016 OI Zhang, Yi/0000-0003-1204-8717; Mo, Sung-Kwan/0000-0003-0711-8514; FU US DoE Office of Basic Energy Science [DE-AC02-05CH11231, DE-AC02-76SF00515]; DARPA MESO project [187 N66001-11-1-4105] FX The work at the ALS was supported by the US DoE Office of Basic Energy Science under Contract No. DE-AC02-05CH11231. The work at the SIMES and Stanford University was supported by the US DoE Office of Basic Energy Science under Contract No. DE-AC02-76SF00515. The work at Oxford University was supported from a DARPA MESO project (No. 187 N66001-11-1-4105). NR 25 TC 15 Z9 15 U1 7 U2 58 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 21 PY 2014 VL 105 IS 3 AR 031901 DI 10.1063/1.4890940 PG 5 WC Physics, Applied SC Physics GA AO2LA UT WOS:000341152300021 ER PT J AU Bereau, T von Lilienfeld, OA AF Bereau, Tristan von Lilienfeld, O. Anatole TI Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; POLARIZABLE MOLECULAR-MECHANICS; NONCOVALENT INTERACTIONS; INTERACTION ENERGIES; WATER CLUSTERS; INTERMOLECULAR INTERACTIONS; DIPOLE INTERACTION; FORCE-FIELDS; COMPLEXES; MODEL AB We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine-intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R-6 correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol. (C) 2014 AIP Publishing LLC. C1 [Bereau, Tristan] Max Planck Inst Polymer Res, D-55128 Mainz, Germany. [Bereau, Tristan] Univ Basel, Dept Chem, CH-4056 Basel, Switzerland. [von Lilienfeld, O. Anatole] Univ Basel, Inst Phys Chem, Dept Chem, CH-4056 Basel, Switzerland. [von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. RP Bereau, T (reprint author), Max Planck Inst Polymer Res, Ackermannweg 10, D-55128 Mainz, Germany. EM bereau@mpip-mainz.mpg.de RI MPIP, Theory/I-9884-2014; Bereau, Tristan/G-4987-2010; von Lilienfeld, O. Anatole/D-8529-2011 OI Bereau, Tristan/0000-0001-9945-1271; FU Swiss National Science Foundation (NSF(CH)) through NCCR-MUST [200021-117810]; Swiss National Science Foundation [PPOOP2_138932]; Office of Science of the (U.S.) Department of Energy (DOE) [DE-AC02-06CH11357] FX T.B. was partly supported by the Swiss National Science Foundation (NSF(CH)) through the NCCR-MUST and Grant No. 200021-117810. O.A.v.L. acknowledges support from the Swiss National Science Foundation Grant No. PPOOP2_138932. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the (U.S.) Department of Energy (DOE) under Contract No. DE-AC02-06CH11357. NR 74 TC 9 Z9 9 U1 0 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 21 PY 2014 VL 141 IS 3 AR 034101 DI 10.1063/1.4885339 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NL UT WOS:000340711300002 PM 25053295 ER PT J AU Hinckley, DM Lequieu, JP de Pablo, JJ AF Hinckley, Daniel M. Lequieu, Joshua P. de Pablo, Juan J. TI Coarse-grained modeling of DNA oligomer hybridization: Length, sequence, and salt effects SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HELIX-COIL TRANSITION; THERMAL RENATURATION; NUCLEIC-ACIDS; STRANDED-DNA; KINETICS; NANOTECHNOLOGY; SIMULATIONS; DEPENDENCE; MECHANISM; PATHWAYS AB A recently published coarse-grained DNA model [D. M. Hinckley, G. S. Freeman, J. K. Whitmer, and J. J. de Pablo, J. Chem. Phys. 139, 144903 (2013)] is used to study the hybridization mechanism of DNA oligomers. Forward flux sampling is used to construct ensembles of reactive trajectories from which the effects of sequence, length, and ionic strength are revealed. Heterogeneous sequences are observed to hybridize via the canonical zippering mechanism. In contrast, homogeneous sequences hybridize through a slithering mechanism, while more complex base pair displacement processes are observed for repetitive sequences. In all cases, the formation of non-native base pairs leads to an increase in the observed hybridization rate constants beyond those observed in sequences where only native base pairs are permitted. The scaling of rate constants with length is captured by extending existing hybridization theories to account for the formation of non-native base pairs. Furthermore, that scaling is found to be similar for oligomeric and polymeric systems, suggesting that similar physics is involved. (C) 2014 AIP Publishing LLC. C1 [Hinckley, Daniel M.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Lequieu, Joshua P.; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [de Pablo, Juan J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP de Pablo, JJ (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM depablo@uchicago.edu FU National Science Foundation (NSF) [DGE-1256259]; National Science Foundation through the UW-NSEC [DMR0832760] FX D.M.H. thanks Jonathan K. Whitmer and Gordon S. Freeman for helpful discussions. The University of Wisconsin-Madison Center for High Throughput Computing is gratefully acknowledged for providing resources and computer expertise. D.M.H. was funded by a Graduate Research Fellowship from the National Science Foundation (NSF) (Grant No. DGE-1256259). The development of the DNA model employed here was supported by the National Science Foundation through the UW-NSEC (DMR0832760). The development of the biased forward flux technique and the corresponding rate constant calculations was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. NR 59 TC 19 Z9 19 U1 7 U2 38 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 21 PY 2014 VL 141 IS 3 AR 035102 DI 10.1063/1.4886336 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NL UT WOS:000340711300048 PM 25053341 ER PT J AU Opalka, D Pham, TA Sprik, M Galli, G AF Opalka, Daniel Tuan Anh Pham Sprik, Michiel Galli, Giulia TI The ionization potential of aqueous hydroxide computed using many-body perturbation theory SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; LIQUID WATER; ENERGY; SPECTROSCOPY; BEHAVIOR AB The ionization potentials of electrolyte solutions provide important information about the electronic structure of liquids and solute-solvent interactions. We analyzed the positions of solute and solvent bands of aqueous hydroxide and the influence of the solvent environment on the ionization potential of hydroxide ions. We used the concept of a computational hydrogen electrode to define absolute band positions with respect to vacuum. We found that many-body perturbation theory in the G(0) W-0 approximation substantially improves the relative and absolute positions of the band edges of solute and solvent with respect to those obtained within Density Functional Theory, using semi-local functionals, yielding results in satisfactory agreement with recent experiments. (C) 2014 AIP Publishing LLC. C1 [Opalka, Daniel; Sprik, Michiel] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. [Tuan Anh Pham] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Tuan Anh Pham] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Galli, Giulia] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Opalka, D (reprint author), Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England. EM do293@cam.ac.uk FU Deutsche Forschungsgemeinschaft; [NSF-CHE-0802907] FX This work was supported by a research grant of the Deutsche Forschungsgemeinschaft (D.O.) and by NSF-CHE-0802907 (G.G.). Computing resources provided by the Leibniz Rechenzentrum of the Bavarian Academy of Sciences are gratefully acknowledged. NR 26 TC 18 Z9 18 U1 2 U2 20 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 21 PY 2014 VL 141 IS 3 AR 034501 DI 10.1063/1.4887259 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NL UT WOS:000340711300027 PM 25053320 ER PT J AU Sellberg, JA Kaya, S Segtnan, VH Chen, C Tyliszczak, T Ogasawara, H Nordlund, D Pettersson, LGM Nilsson, A AF Sellberg, Jonas A. Kaya, Sarp Segtnan, Vegard H. Chen, Chen Tyliszczak, Tolek Ogasawara, Hirohito Nordlund, Dennis Pettersson, Lars G. M. Nilsson, Anders TI Comparison of x-ray absorption spectra between water and ice: New ice data with low pre-edge absorption cross-section SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HYDROGEN-BOND NETWORK; PRINCIPAL COMPONENT ANALYSIS; OXYGEN K-EDGE; LIQUID WATER; TEMPERATURE-DEPENDENCE; FINE-STRUCTURE; AMBIENT WATER; STATISTICAL VARIABLES; STRUCTURAL MOTIFS; ISOSBESTIC POINTS AB The effect of crystal growth conditions on the O K-edge x-ray absorption spectra of ice is investigated through detailed analysis of the spectral features. The amount of ice defects is found to be minimized on hydrophobic surfaces, such as BaF2(111), with low concentration of nucleation centers. This is manifested through a reduction of the absorption cross-section at 535 eV, which is associated with distorted hydrogen bonds. Furthermore, a connection is made between the observed increase in spectral intensity between 544 and 548 eV and high-symmetry points in the electronic band structure, suggesting a more extended hydrogen-bond network as compared to ices prepared differently. The spectral differences for various ice preparations are compared to the temperature dependence of spectra of liquid water upon supercooling. A double-peak feature in the absorption cross-section between 540 and 543 eV is identified as a characteristic of the crystalline phase. The connection to the interpretation of the liquid phase O K-edge x-ray absorption spectrum is extensively discussed. (C) 2014 AIP Publishing LLC. C1 [Sellberg, Jonas A.; Pettersson, Lars G. M.; Nilsson, Anders] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden. [Sellberg, Jonas A.; Kaya, Sarp; Segtnan, Vegard H.; Chen, Chen; Nilsson, Anders] SLAC Natl Accelerator Lab, SUNCAT Ctr Interface Sci & Catalysis, Menlo Pk, CA 94025 USA. [Segtnan, Vegard H.] Nofima AS, N-1430 As, Norway. [Chen, Chen] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Tyliszczak, Tolek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Ogasawara, Hirohito; Nordlund, Dennis] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Stanford, CA 94309 USA. RP Sellberg, JA (reprint author), Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden. RI Sellberg, Jonas/C-6506-2009; Pettersson, Lars/J-4925-2013; Nordlund, Dennis/A-8902-2008; Kaya, Sarp/C-4001-2008; Nilsson, Anders/E-1943-2011; Ogasawara, Hirohito/D-2105-2009 OI Sellberg, Jonas/0000-0003-2793-5052; Pettersson, Lars/0000-0003-1133-9934; Nordlund, Dennis/0000-0001-9524-6908; Kaya, Sarp/0000-0002-2591-5843; Nilsson, Anders/0000-0003-1968-8696; Ogasawara, Hirohito/0000-0001-5338-1079 FU Swedish Research Council; Department of Energy through the SLAC Laboratory Directed Research and Development Program; Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences and Materials Sciences Division of the U.S. Department of Energy at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the Swedish Research Council and the Department of Energy through the SLAC Laboratory Directed Research and Development Program. The measurements were carried out at the Stanford Synchrotron Radiation Lightsource (SSRL) and the Advanced Light Source (ALS), both national user facilities operated by Stanford University and U.C. Berkeley, respectively, on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. The ALS and the MES beamline 11.0.2 are supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences and Materials Sciences Division of the U.S. Department of Energy at the Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. NR 112 TC 10 Z9 11 U1 5 U2 55 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 21 PY 2014 VL 141 IS 3 AR 034507 DI 10.1063/1.4890035 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AN6NL UT WOS:000340711300033 PM 25053326 ER PT J AU Brown, JL Knudson, MD Alexander, CS Asay, JR AF Brown, J. L. Knudson, M. D. Alexander, C. S. Asay, J. R. TI Shockless compression and release behavior of beryllium to 110GPa SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID STRAIN-RATE; CONSTITUTIVE MODEL; WAVE COMPRESSION; DEFORMATION; SOLIDS; TEXTURE AB A magnetohydrodynamic loading technique was used to shocklessly compress beryllium to peak longitudinal stresses of 19-110 GPa and, subsequently, unload in order to determine both the compressive response and also the shear stress supported upon release. Loading strain rates were on the order of 10(6) s(-1), while the unloading rates were nearly constant at 3 x 10(5) s(-1). Velocimetry was used to monitor the ramp and release behavior of a beryllium/lithium fluoride window interface. After applying window corrections to infer in situ beryllium velocities, a Lagrangian analysis was employed to determine the material response. The Lagrangian wavespeed-particle velocity response is integrated to generate the stress-strain path, average change in shear stress over the elastic unloading, and estimates of the shear modulus at peak compression. These data are used to infer the pressure dependence of the flow strength at the unloading rate. Comparisons to several strength models reveal good agreement to 45 GPa, but the data indicate 20%-30% higher strength near 100 GPa. (C) 2014 AIP Publishing LLC. C1 [Brown, J. L.; Knudson, M. D.; Alexander, C. S.; Asay, J. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brown, JL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We would like to thank D. Dalton, D. Romero, A. Romero, C. Meyer, and the rest of the Z-Team for their technical support in designing, fabricating, and conducting the experiments. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 44 TC 5 Z9 5 U1 2 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2014 VL 116 IS 3 AR 033502 DI 10.1063/1.4890232 PG 8 WC Physics, Applied SC Physics GA AN6ND UT WOS:000340710500009 ER PT J AU Fratanduono, DE Munro, DH Celliers, PM Collins, GW AF Fratanduono, D. E. Munro, D. H. Celliers, P. M. Collins, G. W. TI Hugoniot experiments with unsteady waves SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID HIGH-TEMPERATURES; HIGH-PRESSURES; ALUMINUM; EQUATION; COPPER; STATE; COMPRESSION; FACILITY; TANTALUM; METALS AB Recent development of transparent shock wave standard materials, such as quartz, enables continuous tracking of shock waves using optical velocimetry, providing information on shock wave steadiness and pressure perturbations in the target. From a first order perturbation analysis, we develop a set of analytical formulas that connect the pressure perturbations at the drive surface to the shock velocity perturbations observed in measurements. With targets that incorporate a calibrated transparent witness material, such as quartz, and with the analytical formulas describing the perturbation response, it is possible to determine the sound speed and Gruneisen coefficient of an unknown sample by using evolution of the non-steady perturbations as a probe. These formulas can also be used to improve the accuracy of traditional shock wave impedance match Hugoniot experiments of opaque samples driven with non-steady waves. (C) 2014 AIP Publishing LLC. C1 [Fratanduono, D. E.; Munro, D. H.; Celliers, P. M.; Collins, G. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Fratanduono, DE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 31 TC 4 Z9 4 U1 0 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2014 VL 116 IS 3 AR 033517 DI 10.1063/1.4890014 PG 12 WC Physics, Applied SC Physics GA AN6ND UT WOS:000340710500024 ER PT J AU Jager, T Romanyuk, YE Tiwari, AN Anders, A AF Jaeger, Timo Romanyuk, Yaroslav E. Tiwari, Ayodhya N. Anders, Andre TI Controlling ion fluxes during reactive sputter-deposition of SnO2:F SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNETIC MACROPARTICLE FILTERS; ARC PLASMAS; O-IONS; ENERGY; OXIDE; TRANSPORT; ATOMS AB Magnetron sputtering of fluorine-doped tin oxide (FTO) is a scalable deposition method for large-area transparent conducting films used in fenestration, photovoltaics, and other applications. The electrical conductivity of sputtered FTO is, however, lower than that of spray-pyrolized FTO because of the ion damage induced by high energy ions leading to a reduction of the crystal quality in sputtered FTO films. In this study, various ion species present during the reactive sputtering of a metallic tin target in a mixed Ar/O-2/CF4 atmosphere are systematically characterized by energy and mass spectrometry, and possible ways of controlling the ion fluxes are explored. Ion energy distribution functions (IEDFs) of the negative ions F- and O- exhibit large peaks at an energy corresponding to the full target voltage. Although the applied partial pressure of CF4 is about 1/30 than that of O-2, the obtained IEDFs of F- and O- have comparable peak height, which can be attributed to a higher electronegativity of F. The IEDFs of positively charged O+, O-2(+), Ar+, and Sn+ species have their peaks around 2-8 eV. To control ion fluxes a solenoid or permanent magnets were placed between the target and the mass spectrometer. The flux of positive ions could be varied by several orders of magnitude as a function of the applied current through the solenoid, whereas the high-energy (> 100 eV) negative F- and O- ions were not notably deflected. By using permanent magnets with the B-field orthogonal to the ion trajectory, the flux of O- ions could be decreased by two orders and the exposure to the high-energy F- ions was completely suppressed. (C) 2014 AIP Publishing LLC. C1 [Jaeger, Timo; Romanyuk, Yaroslav E.; Tiwari, Ayodhya N.] Empa Swiss Fed Labs Mat Sci & Technol, Lab Thin Films & Photovolta, CH-8600 Dubendorf, Switzerland. [Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Jager, T (reprint author), Empa Swiss Fed Labs Mat Sci & Technol, Lab Thin Films & Photovolta, Uberlandstr 129, CH-8600 Dubendorf, Switzerland. EM timo.jaeger@empa.ch RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 FU Swiss Commission for Technology and Innovation (CTI) [13708.1 PFFLR-IW]; US Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Joe Wallig for technical support. Proofreading by Michael Rawlence and art drawing by Bruno Jager are gratefully acknowledged. The work was partly supported by the Swiss Commission for Technology and Innovation (CTI) under project No. 13708.1 PFFLR-IW. The work at the Lawrence Berkeley National Laboratory was supported by the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 23 TC 5 Z9 6 U1 4 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2014 VL 116 IS 3 AR 033301 DI 10.1063/1.4887119 PG 7 WC Physics, Applied SC Physics GA AN6ND UT WOS:000340710500007 ER PT J AU Lohn, AJ Mickel, PR Marinella, MJ AF Lohn, Andrew J. Mickel, Patrick R. Marinella, Matthew J. TI Mechanism of electrical shorting failure mode in resistive switching SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB The electrical shorting failure mode in resistive switching is characterized by the inability to increase the resistance electrically and is one of the most common failures observed in these devices. We show that vacancy accumulation at the inert electrode is a likely cause of the electrical shorting failure mode. A detailed description is provided of the specific effect of injected oxygen vacancies from the reactive electrode and from the secondary reservoir that is formed at the inert electrode during an electrical shorting failure. We present quantitative theoretical and experimental analysis of the failure mechanism while suggesting approaches and conditions for prevention and recovery. The approach also provides an analytical description of sub-saturation vacancy injection during normal operation while experimentally showing the range of conditions where this behavior dominates. (C) 2014 AIP Publishing LLC. C1 [Lohn, Andrew J.; Mickel, Patrick R.; Marinella, Matthew J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lohn, AJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ajlohn@sandia.gov FU Sandia's Laboratory Directed Research and Development (LDRD) program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank James E. Stevens and the support of Sandia's MESA Fab as well as Seth A. Decker for measurement and characterization support. This work was funded by Sandia's Laboratory Directed Research and Development (LDRD) program. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 19 TC 1 Z9 1 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2014 VL 116 IS 3 AR 034506 DI 10.1063/1.4890635 PG 5 WC Physics, Applied SC Physics GA AN6ND UT WOS:000340710500084 ER PT J AU Rigg, PA Knudson, MD Scharff, RJ Hixson, RS AF Rigg, P. A. Knudson, M. D. Scharff, R. J. Hixson, R. S. TI Determining the refractive index of shocked [100] lithium fluoride to the limit of transmissibility SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ORTHOGONAL DISTANCE REGRESSION; FUSED-SILICA; FLYER PLATES; COMPRESSION; INTERFEROMETER; SAPPHIRE; VELOCITY AB Lithium fluoride (LiF) is a common window material used in shock-and ramp-compression experiments because it displays a host of positive attributes in these applications. Most commonly, it is used to maintain stress at an interface and velocimetry techniques are used to record the particle velocity at that interface. In this application, LiF remains transparent to stresses up to 200 GPa. In this stress range, LiF has an elastic-plastic response with a very low (<0.5 GPa) elastic precursor and exhibits no known solid-solid phase transformations. However, because the density dependence of the refractive index of LiF does not follow the Gladstone-Dale relation, the measured particle velocity at this interface is not the true particle velocity and must be corrected. For that reason, the measured velocity is often referred to as the apparent velocity in these types of experiments. In this article, we describe a series of shock-compression experiments that have been performed to determine the refractive index of LiF at the two most commonly used wavelengths (532 nm and 1550 nm) between 35 and 200 GPa to high precision. A modified form of the Gladstone-Dale relation was found to work best to fit the determined values of refractive index. In addition, we provide a direct relationship between the apparent and true particle velocity to correct experimentally obtained wave profiles by others using these velocimetry techniques. (C) 2014 Author(s). C1 [Rigg, P. A.; Scharff, R. J.; Hixson, R. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Knudson, M. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rigg, PA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM prigg@lanl.gov OI Scharff, Robert/0000-0002-1708-8964 FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; U.S. Department of Energy National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Mark Byers, Steve DiMarino, and Ruben Manzanares for assistance with building and fielding experiments on the 2-stage light gas gun at LANL. The authors also thank the large team at Sandia that contributed to the design and fabrication of the flyer plate loads and the fielding of the shock diagnostics. Los Alamos National Laboratory, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 36 TC 7 Z9 7 U1 3 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2014 VL 116 IS 3 AR 033515 DI 10.1063/1.4890714 PG 12 WC Physics, Applied SC Physics GA AN6ND UT WOS:000340710500022 ER PT J AU Staruch, M Sharma, V dela Cruz, C Ramprasad, R Jain, M AF Staruch, M. Sharma, V. dela Cruz, C. Ramprasad, R. Jain, M. TI Magnetic ordering in TbMn0.5Cr0.5O3 studied by neutron diffraction and first-principles calculations SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; RARE-EARTH; FERROELECTRICITY; TBMNO3 AB The structure and magnetic ordering of bulk TbMn0.5Cr0.5O3 was revealed through bulk magnetization and neutron diffraction measurements, and first-principles calculations, respectively. G-type antiferromagnetic ordering of Mn3+ and Cr3+ moments was observed in the neutron diffraction data below Neel temperature T-N similar to 84 K. In addition, below similar to 40 K, short-range magnetic ordering was identified correlating to a ferromagnetic component due to the canting of the moments along the c-axis. The spin configuration is consistent with the first-principles calculations. The magnetic structure revealed in the present TbMn0.5Cr0.5O3 sample is distinct from that observed for both end members TbMnO3 and TbCrO3. (C) 2014 AIP Publishing LLC. C1 [Staruch, M.; Jain, M.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Sharma, V.; Ramprasad, R.] Univ Connecticut, Storrs, CT 06269 USA. [Sharma, V.; Ramprasad, R.; Jain, M.] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA. [dela Cruz, C.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Staruch, M (reprint author), Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. RI sharma, Vinit/K-3407-2015; Staruch, Margo/M-9260-2015; dela Cruz, Clarina/C-2747-2013; OI Staruch, Margo/0000-0003-3088-2553; dela Cruz, Clarina/0000-0003-4233-2145; Jain, Menka/0000-0002-2264-6895 FU National Science Foundation [1310149]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The author M.J. is grateful for the financial support from National Science Foundation Grant DMR No. 1310149. The neutron diffraction measurements at the Oak Ridge National Laboratory's High Flux Isotope Reactor were sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Computational support by an allocation from XSEDE is also gratefully acknowledged. NR 31 TC 6 Z9 6 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2014 VL 116 IS 3 AR 033919 DI 10.1063/1.4890637 PG 5 WC Physics, Applied SC Physics GA AN6ND UT WOS:000340710500055 ER PT J AU Goldey, MB Head-Gordon, M AF Goldey, Matthew B. Head-Gordon, Martin TI Convergence of attenuated second order Moller-Plesset perturbation theory towards the complete basis set limit SO CHEMICAL PHYSICS LETTERS LA English DT Editorial Material ID MOLECULAR-ORBITAL METHODS; GAUSSIAN-BASIS SETS; INTERMOLECULAR INTERACTIONS; INTERACTION ENERGIES; DENSITY FUNCTIONALS; NONCOVALENT INTERACTIONS; CORRELATED CALCULATIONS; WAVE-FUNCTIONS; ACCURATE; DATABASE AB Attenuated second order Moller-Plesset theory (MP2) is parameterized for noncovalent interactions using basis sets that range as high as augmented triple (T) and quadruple (Q) zeta with T -> Q extrapolation towards the complete basis set (CBS) limit. By comparing training and testing performance as a function of basis set size, the effectiveness of attenuation as a function of basis set can be assessed. While attenuated MP2 with T -> Q extrapolation improves systematically over MP2, there are at most small improvements over attenuated MP2 in the aug-cc-pVTZ basis. Augmented functions are crucial for the success of attenuated MP2. (C) 2014 Elsevier B.V. All rights reserved. C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu NR 46 TC 2 Z9 2 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 EI 1873-4448 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD JUL 21 PY 2014 VL 608 BP 249 EP 254 DI 10.1016/j.cplett.2014.05.092 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AM9LH UT WOS:000340202600045 ER PT J AU Ming, J Kwak, WJ Park, JB Shin, CD Lu, J Curtiss, L Amine, K Sun, YK AF Ming, Jun Kwak, Won-Jin Park, Jin-Bum Shin, Chang-Dae Lu, Jun Curtiss, Larry Amine, Khalil Sun, Yang-Kook TI A Physical Pulverization Strategy for Preparing a Highly Active Composite of CoOx and Crushed Graphite for Lithium-Oxygen Batteries SO CHEMPHYSCHEM LA English DT Article DE batteries; cobalt; graphite; material science; synthetic methods ID RECHARGEABLE LI-O-2 BATTERIES; METAL-OXIDE NANOCRYSTALS; LI-AIR BATTERIES; POROUS-CARBON; MESOPOROUS CO3O4; ELECTRODE; CATALYSTS; NANOPARTICLES; CATHODE; ION AB A new physical pulverization strategy has been developed to prepare a highly active composite of CoOx and crushed graphite (CG) for the cathode in lithium-oxygen batteries. The effect of CoOx loading on the charge potential in the oxygen evolution reaction (Li2O2 -> 2Li(+) + O-2 + 2e(-)) was investigated in coin-cell tests. The CoOx (38.9 wt%)/CG composite showed a low charge potential of 3.92 V with a delivered capacity of 2 mAh cm(-2) under a current density of 0.2 mA cm(-2). The charge potential was 4.10 and 4.15 V at a capacity of 5 and 10 mAh cm(-2), respectively, with a current density of 0.5 mA cm(-2). The stability of the electrolyte and discharge product on the gas-diffusion layer after the cycling were preliminarily characterized by H-1 nuclear magnetic resonance spectroscopy, scanning electron microscopy, X-ray photoelectron spectroscopy, and X-ray diffraction. The high activity of the composite was further analyzed by electrochemical impedance spectroscopy, cyclic voltammetry, and potential-step chronoamperometry. The results indicate that our near-dry milling method is an effective and green approach to preparing a nanocomposite cathode with high surface area and porosity, while using less solvent. Its relative simplicity compared with the traditional solution method could facilitate its widespread application in catalysis, energy storage, and materials science. C1 [Ming, Jun; Kwak, Won-Jin; Park, Jin-Bum; Shin, Chang-Dae; Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Curtiss, Larry] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Amine, Khalil] King Abdulaziz Univ, Jeddah 21589, Saudi Arabia. RP Amine, K (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM amine@anl.gov; yksun@hanyang.ac.kr RI Ming, Jun/B-5193-2016 OI Ming, Jun/0000-0002-4085-5914 FU Human Resources Development program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) - Korean government's Ministry of Trade, Industry and Energy [20124010203290]; National Research Foundation of KOREA (NRF) - Korean government (MEST) [2009-0092780]; U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) FX This work was supported by the Human Resources Development program (20124010203290) of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korean government's Ministry of Trade, Industry and Energy. It was also supported by a National Research Foundation of KOREA (NRF) grant funded by the Korean government (MEST; 2009-0092780). This work was also funded by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the main support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). NR 61 TC 6 Z9 6 U1 5 U2 72 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD JUL 21 PY 2014 VL 15 IS 10 SI SI BP 2070 EP 2076 DI 10.1002/cphc.201400054 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AM9BT UT WOS:000340175300015 PM 24962019 ER PT J AU Assary, RS Lu, J Luo, XY Zhang, XY Ren, Y Wu, HM Albishri, HM Abd El-Hady, D Al-Bogami, AS Curtiss, LA Amine, K AF Assary, Rajeev S. Lu, Jun Luo, Xiangyi Zhang, Xiaoyi Ren, Yang Wu, Huiming Albishri, Hassan M. Abd El-Hady, D. Al-Bogami, A. S. Curtiss, Larry A. Amine, Khalil TI Molecular-Level Insights into the Reactivity of Siloxane-Based Electrolytes at a Lithium-Metal Anode SO CHEMPHYSCHEM LA English DT Article DE anodes; batteries; electrolytes; molecular-level studies; siloxane ID RECHARGEABLE LI-O-2 BATTERIES; LI-AIR BATTERIES; CARBONATE ELECTROLYTES; OXYGEN BATTERY; ETHER; REDUCTION; PERSPECTIVE; MECHANISMS; CHALLENGES; STABILITY AB A molecular-level understanding of the reactions that occur at the lithium-metal anode/electrolyte interphase is essential to improve the performance of Li-O-2 batteries. Experimental and computational techniques are applied to explore the reactivity of tri(ethylene glycol)-substituted trimethylsilane (1NM3), a siloxane-based ether electrolyte, at the lithium-metal anode. In situ/ex situ X-ray diffraction and Fourier-transform infrared spectroscopy studies provide evidence of the formation of lithium hydroxide and lithium carbonates at the anode upon gradual degradation of the metallic lithium anode and the solvent molecules in the presence of oxygen. Density functional calculations performed to obtain a mechanistic understanding of the reductive decomposition of 1NM3 indicate that the decomposition does not require any apparent barrier to produce lithium hydroxide and lithium carbonates when the reduced 1NM3 solvent molecules interact with the oxygen crossing over from the cathode. This study indicates that degradation may be more significant in the case of the 1NM3 solvent, compared to linear ethers such as tetraglyme or dioxalone, because of its relatively high electron affinity. Also, both protection of the lithium metal and prevention of oxygen crossover to the anode are essential for minimizing electrolyte and anode decomposition. C1 [Assary, Rajeev S.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Lu, Jun; Luo, Xiangyi; Wu, Huiming; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Luo, Xiangyi] Univ Utah, Salt Lake City, UT 84112 USA. [Zhang, Xiaoyi; Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Albishri, Hassan M.; Abd El-Hady, D.; Al-Bogami, A. S.; Amine, Khalil] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 80203, Saudi Arabia. [Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Curtiss, LA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM curtiss@anl.gov; amine@anl.gov RI Luo, Xiangyi/N-4709-2014; Al-Bogami, Abdullah/H-7774-2012; Luo, Xiangyi/K-6058-2015; Surendran Assary, Rajeev/E-6833-2012; Faculty of, Sciences, KAU/E-7305-2017 OI Luo, Xiangyi/0000-0002-4817-1461; Luo, Xiangyi/0000-0002-4817-1461; Surendran Assary, Rajeev/0000-0002-9571-3307; FU U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE); Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program under DOE [DE-AC05-06OR23100]; Deanship of Scientific research (DSR), King Abdulaziz University, Jeddah under the HiCi Project [11-130-1434HiCi]; DSR; U.S. Department of Energy Office of Science [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). J. Lu was supported by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE under DOE contract number DE-AC05-06OR23100. This work was also funded by the Deanship of Scientific research (DSR), King Abdulaziz University, Jeddah under the HiCi Project (grant No: 11-130-1434HiCi). The authors (HMA, DAE, ASA and KA) thank the DSR for their technical and financial support. Use of the Advanced Photon Source (APS) and Electron Microscope Center (EMC) at Argonne National Laboratory was supported by the U.S. Department of Energy Office of Science under Contract No. DE-AC02-06CH11357. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Also, we acknowledge grants of computer time from EMSL, a national scientific user facility located at the Pacific Northwest National Laboratory NR 50 TC 6 Z9 6 U1 8 U2 63 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD JUL 21 PY 2014 VL 15 IS 10 SI SI BP 2077 EP 2083 DI 10.1002/cphc.201402130 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AM9BT UT WOS:000340175300016 PM 24986260 ER PT J AU Parker, DSN Kaiser, RI Troy, TP Ahmed, M AF Parker, Dorian S. N. Kaiser, Ralf I. Troy, Tyler P. Ahmed, Musahid TI Hydrogen Abstraction/Acetylene Addition Revealed SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE combustion; gas-phase chemistry; mass spectrometry; polycyclic aromatic hydrocarbons; radicals ID POLYCYCLIC AROMATIC-HYDROCARBONS; DIFFUSE INTERSTELLAR BANDS; CIRCUMSTELLAR ENVELOPES; MOLECULES; ACETYLENE; NAPHTHALENE; CHEMISTRY; RADICALS; MATTER; FLAMES AB For almost half a century, polycyclic aromatic hydrocarbons (PAHs) have been proposed to play a key role in the astrochemical evolution of the interstellar medium (ISM) and in the chemistry of combustion systems. However, even the most fundamental reaction mechanism assumed to lead to the simplest PAH naphthalene-the hydrogen abstraction-acetylene addition (HACA) mechanism-has eluded experimental observation. Here, by probing the phenylacetylene (C8H6) intermediate together with naphthalene (C10H8) under combustion-like conditions by photo-ionization mass spectrometry, the very first direct experimental evidence for the validity of the HACA mechanism which so far had only been speculated theoretically is reported. C1 [Parker, Dorian S. N.; Kaiser, Ralf I.] Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA. [Troy, Tyler P.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA USA. RP Kaiser, RI (reprint author), Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA. EM ralfk@hawaii.edu RI Ahmed, Musahid/A-8733-2009 FU US Department of Energy, Basic Energy Sciences [DE-FG02-03ER15411]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy through the Chemical Sciences Division [DE-AC02-05CH11231] FX This work was supported by the US Department of Energy, Basic Energy Sciences (grant number DE-FG02-03ER15411 to the University of Hawaii). The authors MA and TPT, and the Advanced Light Source are supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract number DE-AC02-05CH11231, through the Chemical Sciences Division. NR 32 TC 17 Z9 17 U1 2 U2 62 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 21 PY 2014 VL 53 IS 30 BP 7740 EP 7744 DI 10.1002/anie.201404537 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA AM0UM UT WOS:000339562400005 PM 24953850 ER PT J AU DuChene, JS Sweeny, BC Johnston-Peck, AC Su, D Stach, EA Wei, WD AF DuChene, Joseph S. Sweeny, Brendan C. Johnston-Peck, Aaron C. Su, Dong Stach, Eric A. Wei, Wei David TI Prolonged Hot Electron Dynamics in Plasmonic-Metal/Semiconductor Heterostructures with Implications for Solar Photocatalysis SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE electron transfer; photoelectrochemistry; solar energy conversion; surface plasmon resonance; water splitting ID VISIBLE-LIGHT; GOLD NANOPARTICLES; CHARGE SEPARATION; PHOTOELECTROCHEMICAL CELLS; ENERGY-CONVERSION; SURFACE-PLASMONS; TIO2 NANOWIRES; WATER; SEMICONDUCTOR; METAL AB Ideal solar-to-fuel photocatalysts must effectively harvest sunlight to generate significant quantities of long-lived charge carriers necessary for chemical reactions. Here we demonstrate the merits of augmenting traditional photoelectrochemical cells with plasmonic nanoparticles to satisfy these daunting photocatalytic requirements. Electrochemical techniques were employed to elucidate the mechanics of plasmon-mediated electron transfer within Au/TiO2 heterostructures under visible-light (lambda > 515 nm) irradiation in solution. Significantly, we discovered that these transferred electrons displayed excited-state lifetimes two orders of magnitude longer than those of electrons photogenerated directly within TiO2 via UV excitation. These long-lived electrons further enable visible-light-driven H-2 evolution from water, heralding a new photocatalytic paradigm for solar energy conversion. C1 [DuChene, Joseph S.; Sweeny, Brendan C.; Wei, Wei David] Univ Florida, Dept Chem, Gainesville, FL 32611 USA. [DuChene, Joseph S.; Sweeny, Brendan C.; Wei, Wei David] Univ Florida, Ctr Nanostruct Elect Mat, Gainesville, FL 32611 USA. [Johnston-Peck, Aaron C.; Su, Dong; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Wei, WD (reprint author), Univ Florida, Dept Chem, Gainesville, FL 32611 USA. EM wei@chem.ufl.edu RI Stach, Eric/D-8545-2011; Su, Dong/A-8233-2013 OI Stach, Eric/0000-0002-3366-2153; Su, Dong/0000-0002-1921-6683 FU NSF [CHE-1038015]; CCI Center for Nanostructured Electronic Materials; ORAU; Sigma Xi; University of Florida; U.S. Department of Energy, Office of Basic Energy Sciences [BNL-CFN-31913, DE-AC01-98CH10886] FX W.D.W. acknowledges financial support from the NSF under grant number CHE-1038015, the CCI Center for Nanostructured Electronic Materials, ORAU, Sigma Xi, and the University of Florida. We thank W. Niu for SEM imaging and K. Farnell, Design Driven Media, Inc. for artwork. Research carried out in part at the Center for Functional Nanomaterials at Brookhaven National Lab through user proposal number BNL-CFN-31913, supported by the U.S. Department of Energy, Office of Basic Energy Sciences under contract number DE-AC01-98CH10886. NR 61 TC 81 Z9 82 U1 37 U2 323 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 21 PY 2014 VL 53 IS 30 BP 7887 EP 7891 DI 10.1002/anie.201404259 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA AM0UM UT WOS:000339562400036 PM 24920227 ER PT J AU Su, J Wang, ZM Pan, DQ Li, J AF Su, Jing Wang, Zheming Pan, Duoqiang Li, Jun TI Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution SO INORGANIC CHEMISTRY LA English DT Article ID LASER-INDUCED FLUORESCENCE; DENSITY-FUNCTIONAL THEORY; MOLECULAR-ORBITAL METHODS; ELECTRONIC-STRUCTURE; QUANTUM-CHEMISTRY; HYDRATION STRUCTURE; PERTURBATION-THEORY; SPECTROSCOPY TRLFS; URANYL COMPLEXES; CHARGE-TRANSFER AB The electronic absorption and emission spectra of free UO2F2 and its water solvated complexes below 32 000 cm(-1) are investigated at the levels of ab initio CASPT2 and CCSD(T) with inclusion of scalar relativistic and spin-orbit coupling effects. The influence of the water coordination on the electronic spectra of UO2F2 is explored by investigating the excited states of solvated complexes (H2O)(n)UO2F2 (n = 1-3). In these uranyl complexes, water coordination is found to have appreciable influence on the (3)Delta (Omega = l(g)) character of the luminescent state and on the electronic spectral shape. The simulated luminescence spectral curves based on the calculated spectral parameters of (H2O)UO2F2 from CCSD(T) approach agree well with experimental spectra in aqueous solution at both near-liquid-helium temperature and room temperature. The possible luminescence spectra of free UO2F2 in gas phase are predicted on the basis of CASPT2 and CCSD(T) results, respectively, by considering three symmetric vibration modes. The effect of competition between spin-orbit coupling and ligand field repulsion on the luminescent state properties is discussed. C1 [Su, Jing] Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat Sci & Engn, Shanghai 201800, Peoples R China. [Su, Jing] Chinese Acad Sci, Key Lab Nucl Radiat & Nucl Energy Technol, Shanghai 201800, Peoples R China. [Wang, Zheming; Pan, Duoqiang; Li, Jun] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Su, Jing; Li, Jun] Tsinghua Univ, Minist Educ, Dept Chem, Beijing 100084, Peoples R China. [Su, Jing; Li, Jun] Tsinghua Univ, Minist Educ, Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China. [Pan, Duoqiang] Lanzhou Univ, Sch Nucl Sci & Technol, Radiochem Lab, Lanzhou 730000, Gansu, Peoples R China. RP Su, J (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat Sci & Engn, Shanghai 201800, Peoples R China. EM sujing@sinap.ac.cn; zheming.wang@pnnl.gov; junli@tsinghua.edu.cn RI Li, Jun/E-5334-2011; Wang, Zheming/E-8244-2010 OI Li, Jun/0000-0002-8456-3980; Wang, Zheming/0000-0002-1986-4357 FU NSFC [91026003, 21201106]; Chinese Academy of Sciences [XDA02040104]; National Basic Research Program of China [2010CB934504]; US Department of Energy's Office of Biological and Environmental Research at the Pacific Northwest National Laboratory, USA FX The theoretical work was supported by NSFC (91026003, 21201106), the "Strategic Priority Research Program" of the Chinese Academy of Sciences (grant no. XDA02040104), and the National Basic Research Program of China (grant no. 2010CB934504). The calculations were performed at the Supercomputer Center of the Computer Network Information Center, Chinese Academy of Sciences, Tsinghua National Laboratory for Information Science and Technology, and Shanghai Supercomputing Center. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory, USA. NR 78 TC 3 Z9 3 U1 2 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 21 PY 2014 VL 53 IS 14 BP 7340 EP 7350 DI 10.1021/ic5006852 PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AL9PA UT WOS:000339472000035 PM 24965096 ER PT J AU McDougald, RN Chilukuri, B Jia, HP Perez, MR Rabaa, H Wang, XP Nesterov, VN Cundari, TR Gnade, BE Omary, MA AF McDougald, Roy N., Jr. Chilukuri, Bhaskar Jia, Huiping Perez, Michael R. Rabaa, Hassan Wang, Xiaoping Nesterov, Vladimir N. Cundari, Thomas R. Gnade, Bruce E. Omary, Mohammad A. TI Molecular and Electronic Structure of Cyclic Trinuclear Gold(I) Carbeniate Complexes: Insights for Structure/Luminescence/Conductivity Relationships SO INORGANIC CHEMISTRY LA English DT Article ID TOTAL-ENERGY CALCULATIONS; FIELD-EFFECT TRANSISTORS; AU-AU INTERACTIONS; WAVE BASIS-SET; CRYSTAL-STRUCTURE; CHARGE-TRANSPORT; INTERMOLECULAR INTERACTIONS; SUPRAMOLECULAR STRUCTURE; AUROPHILIC INTERACTIONS; ORGANIC SEMICONDUCTORS AB An experimental and computational study of correlations between solid-state structure and optical/electronic properties of cyclotrimeric gold(I) carbeniates, [Au-3(RN=COR')(3)] (R, R' = H, Me, Bu-n, or (c)Pe), is reported. Synthesis and structural and photophysical characterization of novel complexes [Au-3(MeN=(COBu)-Bu-n)(3)], [Au-3((BuN)-Bu-n=COMe)(3)], [Au-3((BuN)-Bu-n=(COBu)-Bu-n)(3)], and [Au-3((c)PeN=COMe)(3)] are presented. Changes in R and R' lead to distinctive variations in solid-state stacking, luminescence spectra, and conductive properties. Solid-state emission and excitation spectra for each complex display a remarkable dependence on the solid-state packing of the cyclotrimers. The electronic structure of [Au-3(RN=COR')(3)] was investigated via molecular and solid-state simulations. Calculations on [Au-3(HN=COH)(3)] models indicate that the infinitely extended chain of eclipsed structures with equidistant Au-Au intertrimer aurophilic bonding can have lower band gaps, smaller Stokes shifts, and reduced reorganization energies (lambda). The action of one cyclotrimer as a molecular nanowire is demonstrated via fabrication of an organic field effect transistor and shown to produce a p-type field effect. Hole transport for the same cyclotrimer-doped within a poly(9-vinylcarbazole) host-produced a colossal increase in current density from similar to 1 to similar to 1000 mA/cm(2). Computations and experiments thus delineate the complex relationships between solid-state morphologies, electronic structures, and optoelectronic properties of gold(I) carbeniates. C1 [McDougald, Roy N., Jr.; Chilukuri, Bhaskar; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Omary, Mohammad A.] Univ N Texas, Dept Chem, CART, Denton, TX 76203 USA. [McDougald, Roy N., Jr.; Chilukuri, Bhaskar; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Omary, Mohammad A.] Univ N Texas, CASCaM, Denton, TX 76203 USA. [Jia, Huiping; Perez, Michael R.; Gnade, Bruce E.] Univ Texas Dallas, Dept Mat Sci & Engn, Richardson, TX 75083 USA. [Jia, Huiping; Perez, Michael R.; Gnade, Bruce E.] Univ Texas Dallas, Erik Jonsson Sch Engn & Comp Sci, Richardson, TX 75083 USA. [Rabaa, Hassan] Ibn Tofail Univ, ESCTM, Dept Chem, Kenitra 14000, Morocco. [Wang, Xiaoping] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Cundari, TR (reprint author), Univ N Texas, Dept Chem, CART, Denton, TX 76203 USA. EM t@unt.edu; gnade@utdallas.edu; omary@unt.edu RI Wang, Xiaoping/E-8050-2012 OI Wang, Xiaoping/0000-0001-7143-8112 FU National Science Foundation [CHE-0911690, CHE-0741936, CHE-0701247]; Texas Higher Education Board's Norman Hackerman Advanced Research Program [009741-0089-2007]; Welch Foundation [B-1542]; U.S. Department of Energy, Office of Science [DE-AC05-00OR22725] FX The authors dedicate this paper to the memory of Prof. Oussama El-Bjeirami, who was a vital part of this research team and a special friend to the authors. M.A.O., T.R.C., and B.E.G. thank the National Science Foundation (CHE-0911690) and the Texas Higher Education Board's Norman Hackerman Advanced Research Program (009741-0089-2007) for support. Calculations employed the University of North Texas (UNT) computational chemistry resource, supported by the NSF through grant CHE-0741936. Partial support by the Welch Foundation (Grant B-1542 to M.A.O.) and NSF (Grant CHE-0701247 to T.R.C.) is also acknowledged. This research was also supported in part by a grant of supercomputer time to T.R.C. by the National Science Foundation through TeraGrid resources provided by the NCSA. H.R. acknowledges the UNT Department of Chemistry and the Moroccan government for travel support and the CASCaM facility for computing resources. X.W. acknowledges support by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC05-00OR22725 managed by UT Battelle, LLC. NR 82 TC 7 Z9 7 U1 6 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 21 PY 2014 VL 53 IS 14 BP 7485 EP 7499 DI 10.1021/ic500808q PG 15 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AL9PA UT WOS:000339472000048 PM 24961904 ER PT J AU Zhang, Q Arikawa, T Kato, E Reno, JL Pan, W Watson, JD Manfra, MJ Zudov, MA Tokman, M Erukhimova, M Belyanin, A Kono, J AF Zhang, Qi Arikawa, Takashi Kato, Eiji Reno, John L. Pan, Wei Watson, John D. Manfra, Michael J. Zudov, Michael A. Tokman, Mikhail Erukhimova, Maria Belyanin, Alexey Kono, Junichiro TI Superradiant Decay of Cyclotron Resonance of Two-Dimensional Electron Gases SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM-SYSTEMS; HETEROSTRUCTURES; OSCILLATIONS; LINEWIDTH; GAAS AB We report on the observation of collective radiative decay, or superradiance, of cyclotron resonance (CR) in high-mobility two-dimensional electron gases in GaAs quantum wells using time-domain terahertz magnetospectroscopy. The decay rate of coherent CR oscillations increases linearly with the electron density in a wide range, which is a hallmark of superradiant damping. Our fully quantum mechanical theory provides a universal formula for the decay rate, which reproduces our experimental data without any adjustable parameter. These results firmly establish the many-body nature of CR decoherence in this system, despite the fact that the CR frequency is immune to electron-electron interactions due to Kohn's theorem. C1 [Zhang, Qi; Arikawa, Takashi; Kono, Junichiro] Rice Univ, Dept Phys & Astron, Dept Elect & Comp Engn, Houston, TX 77005 USA. [Zhang, Qi; Arikawa, Takashi; Kono, Junichiro] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. [Kato, Eiji] Advantest Amer Inc, Princeton, NJ 08540 USA. [Reno, John L.] Sandia Natl Labs, CINT, Albuquerque, NM 87185 USA. [Pan, Wei] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Watson, John D.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Watson, John D.; Manfra, Michael J.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Manfra, Michael J.] Purdue Univ, Sch Elect & Comp Engn, Sch Mat Engn, Dept Phys, W Lafayette, IN 47907 USA. [Zudov, Michael A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Tokman, Mikhail; Erukhimova, Maria] Russian Acad Sci, Inst Appl Phys, Nizhnii Novgorod 603950, Russia. [Belyanin, Alexey] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. RP Kono, J (reprint author), Rice Univ, Dept Phys & Astron, Dept Elect & Comp Engn, Houston, TX 77005 USA. EM kono@rice.edu RI Arikawa, Takashi/E-2461-2011; Watson, John/L-4296-2016 FU National Science Foundation [DMR-1310138, OISE-0968405]; U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division; Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0006671]; DOE [DE-SC002567]; Russian Foundation for Basic Research [13-02-00376, 13-02-97039] FX We acknowledge support from the National Science Foundation (Grants No. DMR-1310138 and No. OISE-0968405). This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The work at Sandia was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. Work completed at Purdue was supported by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-SC0006671. M. A. Z. acknowledges support by DOE Grant No. DE-SC002567. M. T. and M. E. are supported by Russian Foundation for Basic Research through Grants No. 13-02-00376 and No. 13-02-97039. NR 35 TC 33 Z9 33 U1 1 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 21 PY 2014 VL 113 IS 4 AR 047601 DI 10.1103/PhysRevLett.113.047601 PG 6 WC Physics, Multidisciplinary SC Physics GA AL9EN UT WOS:000339442800010 PM 25105654 ER PT J AU Safronova, UI Safronova, AS Beiersdorfer, P AF Safronova, U. I. Safronova, A. S. Beiersdorfer, P. TI Multipole transitions to determine lifetimes and polarizabilities in Mg-like ions from Si2+ to Fm88+ SO PHYSICAL REVIEW A LA English DT Article ID MANY-BODY CALCULATIONS; BE-LIKE IONS; NICKEL-LIKE IONS; LOW-LYING LEVELS; ENERGY-LEVELS; NA-LIKE; RADIATIVE-LIFETIME; ELECTRIC-DIPOLE; AR-VIII; ISOELECTRONIC SEQUENCE AB The relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate the multipole (E1, M1, E2, M2, and E3) matrix elements to determine the 3s3p P-3(2) lifetime and multipole polarizabilities in Mg-like ions. The electric multipole matrix elements are determined in length and velocity forms. The calculations start from a 1s(2)2s(2)2p(6) Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients, and second-order RMBPT is used to calculate transition matrix elements. Contributions from negative-energy states are included in the second-order multipole matrix elements to ensure gauge independence of transition amplitudes. The details of our calculations of the multipole polarizabilities are illustrated for Mg-like Si2+, Fe14+, Kr24+, Mo30+, Xe42+, and W62+ ions. Our RMBPT results are compared with available theoretical results and experimental measurements. Trends of the line strengths, transition rates, and contributions in the ground-state multipole polarizabilities as functions of Z are illustrated graphically in Mg-like ions with Z = 14-100. C1 [Safronova, U. I.; Safronova, A. S.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [Beiersdorfer, P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. RP Safronova, UI (reprint author), Univ Nevada, Dept Phys, Reno, NV 89557 USA. FU U.S. DOE [DE-AC52-07NA27344] FX Work by the Lawrence Livermore National Laboratory was performed under the auspices of the U.S. DOE under Contract No. DE-AC52-07NA27344. NR 58 TC 4 Z9 4 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 EI 1094-1622 J9 PHYS REV A JI Phys. Rev. A PD JUL 21 PY 2014 VL 90 IS 1 AR 012519 DI 10.1103/PhysRevA.90.012519 PG 15 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA AL9EK UT WOS:000339442400009 ER PT J AU Nietiadi, ML Sandoval, L Urbassek, HM Moeller, W AF Nietiadi, Maureen L. Sandoval, Luis Urbassek, Herbert M. Moeller, Wolfhard TI Sputtering of Si nanospheres SO PHYSICAL REVIEW B LA English DT Article ID COMPUTER-SIMULATION; MOLECULAR-DYNAMICS; NANOPARTICLES; IONS; IRRADIATION; BOMBARDMENT; STATISTICS; CLUSTERS; TARGETS; SILICON AB Spherical objects, such as clusters, nanoparticles, or aerosol particles, are sputtered when exposed to energetic irradiation. We use Monte Carlo (MC) and molecular dynamics (MD) computer simulation to study this process, with 20 keV Ar impact on a-Si clusters as a prototypical example. The sputter yield is quantified as being influenced by oblique incidence and target curvature. Cluster radii R are scaled to the energy deposition depth, a. For large R (R/a > 5) sphere sputtering follows closely the sputtering of planar targets, if the variation of the incidence angle on the sphere surface is taken into account. For smaller radii, the yield increases due to the influence of curvature. For radii R/a less than or similar to 1 pronounced forward sputtering leads to a maximum in the sputter yield. For smaller R, sputter emission becomes isotropic, but decreases in magnitude since not all the projectile energy is deposited in the sphere. However, for all spheres studied (R >= 0.05a) the average sputter yield is larger than for infinitely large spheres (R -> infinity). A simple model based on linear collision cascade theory and assuming that the energy deposition profile is independent of the sphere size predicts sputtering for large spheres well, but fails for small spheres where it strongly underestimates sputtering. The MC data for the smaller spheres are supplemented by MD calculations, which indicate a significant additional contribution caused by spike sputtering. C1 [Nietiadi, Maureen L.; Urbassek, Herbert M.] Univ Kaiserslautern, Dept Phys, D-67663 Kaiserslautern, Germany. [Nietiadi, Maureen L.; Urbassek, Herbert M.] Univ Kaiserslautern, Res Ctr OPTIMAS, D-67663 Kaiserslautern, Germany. [Sandoval, Luis] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Moeller, Wolfhard] Helmholtz Zentrum Dresden Rossendorf, Inst Ion Beam Phys & Mat Res, D-01328 Dresden, Germany. RP Nietiadi, ML (reprint author), Univ Kaiserslautern, Dept Phys, Erwin Schrodinger Str, D-67663 Kaiserslautern, Germany. EM urbassek@rhrk.uni-kl.de RI Sandoval, Luis/B-2221-2009 OI Sandoval, Luis/0000-0002-1172-7972 FU Deutsche Forschungsgemeinschaft [845] FX This work has been supported by the Deutsche Forschungsgemeinschaft via the Research Unit 845 Self-organized nanostructures induced by low-energy ion beam erosion. NR 43 TC 16 Z9 16 U1 2 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 21 PY 2014 VL 90 IS 4 AR 045417 DI 10.1103/PhysRevB.90.045417 PG 9 WC Physics, Condensed Matter SC Physics GA AL9EX UT WOS:000339444100008 ER PT J AU Vaz, CAF Moyer, JA Arena, DA Ahn, CH Henrich, VE AF Vaz, C. A. F. Moyer, J. A. Arena, D. A. Ahn, C. H. Henrich, V. E. TI Magnetic and electronic structure of ultrathin La1-xSrxMnO3 films at half doping SO PHYSICAL REVIEW B LA English DT Article ID RAY-ABSORPTION-SPECTROSCOPY; PHASE-DIAGRAM; THIN-FILMS; OXIDE HETEROSTRUCTURES; TETRAGONAL MANGANITES; TRANSPORT-PROPERTIES; MANGANESE OXIDE; TRANSITION; MAGNETORESISTANCE; MAGNETOTRANSPORT AB The magnetic, transport, and electronic properties of ultrathin epitaxial La1-xSrxMnO3 (LSMO) films at near half doping (x = 0.47, 0.50, and 0.55), grown under different misfit strains on SrTiO3(001) and La0.18Sr0.82Al0.59Ta0.41O3(001) (LSAT) substrates, are investigated. We find that all films exhibit metallic behavior below the magnetic critical temperature, while the magnetic properties change markedly with both doping and strain. However, while increased doping favors antiferromagnetic ordering, strain is the driving mechanism for the change in the magnetic properties, where with increasing tensile strain the magnetic ground state changes from ferromagnetic to antiferromagnetic at a critical lattice misfit threshold of about -1%. The bulk magnetometry data are confirmed by x-ray magnetic circular dichroism spectroscopy, while x-ray magnetic linear dichroism measured at room temperature demonstrates a progressive change in the orbital occupancy with increasing misfit strain from out of plane to in-plane, leading to a preferred antiferromagnetic metallic state at larger tensile strains. C1 [Vaz, C. A. F.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Moyer, J. A.; Ahn, C. H.; Henrich, V. E.] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. [Moyer, J. A.; Ahn, C. H.; Henrich, V. E.] Yale Univ, CRISP, New Haven, CT 06520 USA. [Arena, D. A.] Natl Synchrotron Light Source, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Vaz, CAF (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland. EM carlos.vaz@cantab.net RI Vaz, Carlos/A-7240-2012 OI Vaz, Carlos/0000-0002-6209-8918 FU NSF DMR [1119826, 1309868]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Work at Yale was supported by the NSF DMR under Grants No. 1119826 (CRISP) and No. 1309868. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 65 TC 6 Z9 6 U1 12 U2 72 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 21 PY 2014 VL 90 IS 2 AR 024414 DI 10.1103/PhysRevB.90.024414 PG 8 WC Physics, Condensed Matter SC Physics GA AL9ES UT WOS:000339443400006 ER PT J AU Munshi, D Joudaki, S Coles, P Smidt, J Kay, ST AF Munshi, Dipak Joudaki, Shahab Coles, Peter Smidt, Joseph Kay, Scott T. TI Cross-correlating Sunyaev-Zel'dovich and weak lensing maps SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: analytical; methods: numerical; methods: statistical; cosmic background radiation; large-scale structure of Universe ID LARGE-SCALE STRUCTURE; DENSITY DISTRIBUTION FUNCTION; ATACAMA COSMOLOGY TELESCOPE; PROBABILITY-DISTRIBUTION FUNCTION; BACKGROUND POWER SPECTRUM; SOUTH-POLE TELESCOPE; SMALL ANGULAR SCALES; QUASI-LINEAR REGIME; LY-ALPHA FOREST; X-RAY-CLUSTERS AB We present novel statistical tools to cross-correlate frequency cleaned thermal Sunyaev-Zel'dovich (tSZ) maps and tomographic weak lensing (wl) convergence maps. Moving beyond the lowest order cross-correlation, we introduce a hierarchy of mixed higher order statistics, the cumulants and cumulant correlators, to analyse non-Gaussianity in real space, as well as corresponding polyspectra in the harmonic domain. Using these moments, we derive analytical expressions for the joint two-point probability distribution function for smoothed tSZ (y) and convergence (kappa) maps. The presence of tomographic information allows us to study the evolution of higher order mixed tSZ-wl statistics with redshift. We express the joint PDFs p(kappa y)(kappa, y) in terms of individual one-point PDFs [p(kappa)(kappa), p(y)(y)] and the relevant bias functions [b(kappa)(kappa), b(y)(y)]. Analytical results for two different regimes are presented that correspond to the small and large angular smoothing scales. Results are also obtained for corresponding hotspots in the tSZ and convergence maps. In addition to results based on hierarchical techniques and perturbative methods, we present results of calculations based on the lognormal approximation. The analytical expressions derived here are generic and applicable to cross-correlation studies of arbitrary tracers of large-scale structure including, e.g., that of tSZ and soft X-ray background. We provide detailed comparison of our analytical results against state of the art Millennium Gas Simulations with and without non-gravitational effects such as pre-heating and cooling. Comparison of these results with gravity only simulations, shows reasonable agreement and can be used to isolate effect of non-gravitational physics from observational data. C1 [Munshi, Dipak; Coles, Peter] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3AA, S Glam, Wales. [Munshi, Dipak; Coles, Peter] Univ Sussex, Sch Math & Phys Sci, Astron Ctr, Brighton BN1 9QH, E Sussex, England. [Joudaki, Shahab] Swinburne Univ Technol, Hawthorn, Vic 3122, Australia. [Joudaki, Shahab; Smidt, Joseph] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Smidt, Joseph] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Kay, Scott T.] Univ Manchester, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England. RP Munshi, D (reprint author), Cardiff Univ, Sch Phys & Astron, Queens Bldg,5 Parade, Cardiff CF24 3AA, S Glam, Wales. EM D.Munshi@sussex.ac.uk FU STFC at School of Physics and Astronomy at Cardiff University [ST/G002231/1]; US Department of Education through GAANN at UCI FX DM and PC acknowledge support from STFC standard grant ST/G002231/1 at School of Physics and Astronomy at Cardiff University where this work was completed. SJ and JS acknowledge support from the US Department of Education through GAANN at UCI. We thank Alan Heavens for useful discussions. It is also a pleasure for us to thank Martin Kilbinger for related collaboration. We thank Francis Bernardeau for supplying a copy of his code which was used to compute the bias and the PDF from hierarchical ansatz. NR 150 TC 3 Z9 3 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUL 21 PY 2014 VL 442 IS 1 BP 69 EP 91 DI 10.1093/mnras/stu794 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AK9RW UT WOS:000338765400007 ER PT J AU Sutter, PM Lavaux, G Hamaus, N Wandelt, BD Weinberg, DH Warren, MS AF Sutter, P. M. Lavaux, Guilhem Hamaus, Nico Wandelt, Benjamin D. Weinberg, David H. Warren, Michael S. TI Sparse sampling, galaxy bias, and voids SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: data analysis; methods: numerical; cosmology: theory; large-scale structure of Universe ID OSCILLATION SPECTROSCOPIC SURVEY; HALO OCCUPATION DISTRIBUTION; EXCURSION SET FORMALISM; DIGITAL SKY SURVEY; COSMIC VOIDS; REDSHIFT-SPACE; DARK-MATTER; DYNAMICAL PROPERTIES; MAGNETIC-FIELDS; SPHERICAL VOIDS AB To study the impact of sparsity and galaxy bias on void statistics, we use a single large-volume, high-resolution N-body simulation to compare voids in multiple levels of subsampled dark matter, halo populations, and mock galaxies from a halo occupation distribution model tuned to different galaxy survey densities. We focus our comparison on three key observational statistics: number functions, ellipticity distributions, and radial density profiles. We use the hierarchical tree structure of voids to interpret the impacts of sampling density and galaxy bias, and theoretical and empirical functions to describe the statistics in all our sample populations. We are able to make simple adjustments to theoretical expectations to offer prescriptions for translating from analytics to the void properties measured in realistic observations. We find that sampling density has a much larger effect on void sizes than galaxy bias. At lower tracer density, small voids disappear and the remaining voids are larger, more spherical, and have slightly steeper profiles. When a proper lower mass threshold is chosen, voids in halo distributions largely mimic those found in galaxy populations, except for ellipticities, where galaxy bias leads to higher values. We use the void density profile of Hamaus et al. to show that voids follow a self-similar and universal trend, allowing simple translations between voids studied in dark matter and voids identified in galaxy surveys. We have added the mock void catalogues used in this work to the Public Cosmic Void Catalog at http://www.cosmicvoids.net. C1 [Sutter, P. M.; Lavaux, Guilhem; Hamaus, Nico; Wandelt, Benjamin D.] Univ Paris 06, Sorbonne Univ, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. [Sutter, P. M.; Lavaux, Guilhem; Hamaus, Nico; Wandelt, Benjamin D.] CNRS, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. [Sutter, P. M.; Weinberg, David H.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Sutter, P. M.; Hamaus, Nico; Wandelt, Benjamin D.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Lavaux, Guilhem] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada. [Lavaux, Guilhem] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada. [Lavaux, Guilhem] Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Wandelt, Benjamin D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Warren, Michael S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Sutter, PM (reprint author), Univ Paris 06, Sorbonne Univ, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. EM sutter2@iap.fr OI WANDELT, Benjamin/0000-0002-5854-8269; Lavaux, Guilhem/0000-0003-0143-8891 FU NSF [NSF AST 09-08693 ARRA, AST-0908 902, AST-0708849, AST-1009505]; ANR Chaire d'Excellence [ANR-10-CEXC-004-01]; UPMC Chaire Internationale in Theoretical Cosmology; CITA National Fellowship; Government of Canada Post-Doctoral Research Fellowship; Government of Canada through Industry Canada; Province of Ontario through the Ministry of Research and Innovation; ANR within the Investissements d'Avenir programme [ANR-11-IDEX-0004-02, ANR-10-LABX-63] FX PMS, NH, and BDW acknowledge support from NSF Grant NSF AST 09-08693 ARRA. BDW also acknowledges funding from an ANR Chaire d'Excellence (ANR-10-CEXC-004-01), the UPMC Chaire Internationale in Theoretical Cosmology, and NSF Grants AST-0908 902 and AST-0708849. GL acknowledges support from CITA National Fellowship and financial support from the Government of Canada Post-Doctoral Research Fellowship. Research at Perimeter Institute is supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Research and Innovation. DW acknowledges support from NSF Grant AST-1009505. This work made in the ILP LABEX (under reference ANR-10-LABX-63) was supported by French state funds managed by the ANR within the Investissements d'Avenir programme under reference ANR-11-IDEX-0004-02. NR 68 TC 25 Z9 25 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUL 21 PY 2014 VL 442 IS 1 BP 462 EP 471 DI 10.1093/mnras/stu893 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AK9RW UT WOS:000338765400041 ER PT J AU Faran, T Poznanski, D Filippenko, AV Chornock, R Foley, RJ Ganeshalingam, M Leonard, DC Li, W Modjaz, M Nakar, E Serduke, FJD Silverman, JM AF Faran, T. Poznanski, D. Filippenko, A. V. Chornock, R. Foley, R. J. Ganeshalingam, M. Leonard, D. C. Li, W. Modjaz, M. Nakar, E. Serduke, F. J. D. Silverman, J. M. TI Photometric and spectroscopic properties of Type II-P supernovae SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE supernovae: general ID EXPANDING PHOTOSPHERE METHOD; EXTRAGALACTIC DISTANCE SCALE; STANDARDIZED CANDLE METHOD; CORE-COLLAPSE SUPERNOVAE; TO-GAS RATIO; LIGHT-CURVES; PLATEAU SUPERNOVAE; IA SUPERNOVAE; SN 2005CS; DUST EXTINCTION AB We study a sample of 23 Type II plateau supernovae (SNe II-P), all observed with the same set of instruments. Analysis of their photometric evolution confirms that their typical plateau duration is 100 d with little scatter, showing a tendency to get shorter for more energetic SNe. We examine the claimed correlation between the luminosity and the rise time from explosion to plateau. We analyse their spectra, measuring typical ejecta velocities, and confirm that they follow a well-behaved power-law decline. We find indications of high-velocity material in the spectra of six of our SNe. We test different dust-extinction correction methods by asking the following - does the uniformity of the sample increase after the application of a given method? A reasonably behaved underlying distribution should become tighter after correction. No method we tested made a significant improvement. C1 [Faran, T.; Poznanski, D.; Nakar, E.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Filippenko, A. V.; Ganeshalingam, M.; Li, W.; Serduke, F. J. D.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Chornock, R.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Foley, R. J.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Foley, R. J.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Ganeshalingam, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Leonard, D. C.] San Diego State Univ, Dept Astron, San Diego, CA 92182 USA. [Modjaz, M.] NYU, CCPP, New York, NY 10003 USA. [Silverman, J. M.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. RP Faran, T (reprint author), Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. EM tamar104@gmail.com FU W. M. Keck Foundation; NASA; Alon fellowship for outstanding young researchers; Raymond and Beverly Sackler Chair for young scientists; NSF grants [AST-1009571, AST-1210311]; NSF Astronomy and Astrophysics Postdoctoral Fellowship [AST-1302771]; Christopher R. Redlich Fund; Richard and Rhoda Goldman Fund; TABASGO Foundation; NSF [AST-0908886, AST-1211916] FX We thank D. Maoz I. Arcavi, and the referee for helpful comments on this manuscript. A. Barth, A. Coil, E. Gates, B. Swift, and D. Wong participated in the many observations that made this work possible, and we thank them for it. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration; it was made possible by the generous financial support of the W. M. Keck Foundation. We wish to recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. The Kast spectrograph on the Shane 3 m reflector at Lick Observatory resulted from a generous donation made by Bill and Marina Kast. We also thank the dedicated staffs of the Lick and Keck Observatories for their assistance. This research made use of the Weizmann interactive supernova data repository (www.weizmann.ac.il/astrophysics/wiserep), as well as the NASA/IPAC Extragalactic Database (NED) which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA.; KAIT (at Lick Observatory) and its ongoing operation were made possible by donations from Sun Microsystems, Inc., the Hewlett-Packard Company, AutoScope Corporation, Lick Observatory, the NSF, the University of California, the Sylvia & Jim Katzman Foundation, and the TABASGO Foundation. DP acknowledges support from the Alon fellowship for outstanding young researchers, and the Raymond and Beverly Sackler Chair for young scientists. DCL acknowledges support from NSF grants AST-1009571 and AST-1210311. JMS is supported by an NSF Astronomy and Astrophysics Postdoctoral Fellowship under award AST-1302771. AVF's group at UC Berkeley has received generous financial assistance from the Christopher R. Redlich Fund, the Richard and Rhoda Goldman Fund, the TABASGO Foundation, and the NSF (most recently through grants AST-0908886 and AST-1211916). NR 85 TC 31 Z9 31 U1 1 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUL 21 PY 2014 VL 442 IS 1 BP 844 EP 861 DI 10.1093/mnras/stu955 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AK9RW UT WOS:000338765400070 ER PT J AU Batygin, YK Draganic, IN Fortgang, CM Garnett, RW Kurennoy, SS McCrady, RC O'Hara, JF Rybarcyk, LJ AF Batygin, Y. K. Draganic, I. N. Fortgang, C. M. Garnett, R. W. Kurennoy, S. S. McCrady, R. C. O'Hara, J. F. Rybarcyk, L. J. TI Design of low energy beam transport for new LANSCE H+ injector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Beam; Transport; Low energy; Space-charge; Emittance AB The present LANSCE injector utilizes two 750-keV Cockcroft-Walton (CW) based injectors for simultaneous injection of H+ and H+ beams into 800-MeV accelerator. To reduce long-term operational risks, the new project to replace the existing H+ CW injector with a Radio-Frequency Quadrupole (RFQ) accelerator is underway M The new injector requires a Low-Energy Beam Transport (LEBT). An ion source and 2-solenoid magnetic LEBT have been designed and optimized to transport beams over a wide range of space charge neutralization and transverse emittance, while allowing sufficient space for diagnostics and a beam deflector. The design layout minimizes the beam size in the LEBT and potential emittance growth due to solenoid aberrations and nonlinear space charge forces. This paper describes the details of the LEBT design activity. (C) 2014 Elsevier B.V. All rights reserved. C1 [Batygin, Y. K.; Draganic, I. N.; Fortgang, C. M.; Garnett, R. W.; Kurennoy, S. S.; McCrady, R. C.; O'Hara, J. F.; Rybarcyk, L. J.] LANL, Los Alamos, NM 87544 USA. RP Batygin, YK (reprint author), LANL, Los Alamos, NM 87544 USA. EM batygin@lanl.gov OI Kurennoy, Sergey/0000-0003-2854-9647 NR 16 TC 2 Z9 2 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2014 VL 753 BP 1 EP 8 DI 10.1016/j.nima.2014.03.041 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AI0OR UT WOS:000336547500001 ER PT J AU Bezzubov, V Denisov, D Evdokimov, V Lipaev, V Shchukin, A Vasilyev, I AF Bezzubov, V. Denisov, D. Evdokimov, V. Lipaev, V. Shchukin, A. Vasilyev, I. TI The performance and long term stability of the D0 Run II forward muon scintillation counters SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE D0 experiment; Scintillation counters; Muon system; Monitoring ID SYSTEM; DETECTOR; CDF; BARS AB The performance of the D0 experiment forward muon scintillation counters system during Run II of the Tevatron from 2001 to 2011 is described. The system consists 014214 scintillation counters in six layers. The long term stability of the counters amplitude response determined using LED calibration system and muons produced in proton-antiproton collisions is presented. The averaged signal amplitude for counters of all layers has gradually decreased over ten years by 11%. The reference timing, determined using LED calibration, was stable within 0.26 ns. Averaged value of muon timing peak position was used for periodic D0 clock signal adjustments to compensate seasonal drift caused by temperature variations. Counters occupancy for different triggers in physics data collection runs and for minimum bias triggers are presented. The single muon yields versus time and the luminosity dependence of yields were stable for the forward muon system within 1% over 10 years. (C) 2014 Elsevier B.V. All rights reserved. C1 [Bezzubov, V.; Evdokimov, V.; Lipaev, V.; Shchukin, A.; Vasilyev, I.] Inst High Energy Phys, Protvino, Russia. [Denisov, D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Evdokimov, V (reprint author), Inst High Energy Phys, Protvino, Russia. EM Valery.Evdokimov@ihep.ru NR 15 TC 2 Z9 2 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2014 VL 753 BP 105 EP 115 DI 10.1016/j.nima.2014.03.014 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AI0OR UT WOS:000336547500014 ER PT J AU Warren, WJ Moro, EA Briggs, ME Flynn, EB AF Warren, Will J. Moro, Erik A. Briggs, Matthew E. Flynn, Eric B. TI Simulating translation-induced laser speckle dynamics in photon Doppler velocimetry SO APPLIED OPTICS LA English DT Article ID DIFFUSE OBJECT; STATISTICAL PROPERTIES; VELOCITY-MEASUREMENT AB Historically, single-beam optical velocimetry has been limited to measuring only the component of velocity along the beam. However, theoretical work and recent experimental results have shown that laser speckle dynamics may be exploited to measure lateral motion, thereby gaining information about surface dynamics across an additional degree of freedom. In the use of photon Doppler velocimetry (PDV), this new information is considered "free" in that it is already contained within the PDV signal, needing only to be extracted and interpreted correctly. In this manuscript, we relate speckle dynamics to the lateral motion of a planar scattering surface in the PDV coordinate system via the space-time correlation function of the diffracted electric field. Next, we relate the characteristic time scale of speckle intensity fluctuations in the PDV signal to the rate of lateral surface translation and to parameters characterizing the optical probe. Analytical results are compared with a numerical simulation and found to be in close agreement. (C) 2014 Optical Society of America C1 [Warren, Will J.; Moro, Erik A.; Briggs, Matthew E.; Flynn, Eric B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Warren, WJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM wwarren@lanl.gov OI Flynn, Eric/0000-0003-0965-7052 NR 18 TC 1 Z9 1 U1 0 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUL 20 PY 2014 VL 53 IS 21 BP 4661 EP 4668 DI 10.1364/AO.53.004661 PG 8 WC Optics SC Optics GA AM5BP UT WOS:000339870900005 PM 25090201 ER PT J AU Engstrom, AM Lim, E Reimer, JA Cairns, EJ AF Engstrom, Allison M. Lim, Eunhee Reimer, Jeffrey A. Cairns, Elton J. TI Anodic Oxidation of COads Derived from Methanol on Pt Electrocatalysts Linked to the Bonding Type and Adsorption Site SO ELECTROCHIMICA ACTA LA English DT Article DE Carbon monoxide; Methanol; Fuel cell; Butler-Volmer; Model; Oxidation kinetics ID SINGLE-CRYSTAL ELECTRODES; CO OXIDATION; FUEL-CELL; CARBON-MONOXIDE; PLATINUM-ELECTRODE; CATALYTIC-ACTIVITY; MONTE-CARLO; ADSORBED CO; ELECTROOXIDATION; KINETICS AB A newly formulated four-component modified Butler-Volmer model has been developed to evaluate global oxidation kinetic parameters for the various types of carbon monoxide adsorbates (COads) on a nanoparticle Pt surface determined by the type of bonding as well as the local structure of the adsorption site. Partial coverages of COads were prepared by potentiostatic adsorption of methanol followed by potentiostatic partial oxidation at various elevated potentials and for various durations. Anodic linear sweep voltammetry was then performed, and the COads oxidation peaks were fitted with the model to analyze the kinetics. According to the model, preferential oxidation with respect to COads bonding and Pt substrate structure can be achieved dependent upon the potential and extent of oxidation. Partial oxidation at 450 mV vs. RHE for 60 min. resulted in a majority population of linearly bonded COads on cubic-packed Pt sites; whereas partial oxidation at 650 mV vs. RHE for 220 sec. resulted in a majority population of bridged-bonded COads on close-packed Pt sites. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Engstrom, Allison M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Lim, Eunhee; Reimer, Jeffrey A.; Cairns, Elton J.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Lim, Eunhee; Reimer, Jeffrey A.; Cairns, Elton J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Cairns, EJ (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM allison.engstrom@berkeley.edu; limeunhee90@berkeley.edu; reimer@berkeley.edu; ejcairns@lbl.gov RI Cairns, Elton/E-8873-2012 OI Cairns, Elton/0000-0002-1179-7591 FU NSF graduate research fellowship; U.S. Army Research Laboratory; U.S. Army Research Office [48713CH] FX This work has been supported in part by an NSF graduate research fellowship and by the U.S. Army Research Laboratory and the U.S. Army Research Office under contract/grant number 48713CH. NR 42 TC 0 Z9 0 U1 0 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUL 20 PY 2014 VL 135 BP 249 EP 254 DI 10.1016/j.electacta.2014.05.006 PG 6 WC Electrochemistry SC Electrochemistry GA AM2PF UT WOS:000339692600034 ER PT J AU Polat, BD Abouimrane, A Sezgin, N Keles, O Amine, K AF Polat, B. D. Abouimrane, A. Sezgin, N. Keles, O. Amine, K. TI Use of Multilayered Ni-Sn and Ni-Sn-C Thin Film Anodes for Lithium-Ion Batteries SO ELECTROCHIMICA ACTA LA English DT Article DE Ni-Sn thin film anode; Carbon; Lithium-ion batteries; Electron beam evaporation ID STORAGE PROPERTIES; ALLOY; PERFORMANCE; ELECTRODES AB This study explores the electrochemical performance of Ni-Sn and Ni-Sn-C thin film anodes in rechargeable lithium-ion batteries. A new strategy of forming a Ni-Sn-C multilayered thin film is proposed here, where nickel-coated carbon powder is used as a source material to incorporate carbon atoms into the thin film in a controlled manner. Galvanostatic half-cell measurements demonstrated that the Ni-Sn thin film shows a gradually decreasing capacity with cycling, whereas the Ni-Sn-C thin film exhibits a longer cycle life with good capacity retention. The improved cycle performance of the Ni-Sn-C electrode is attributed to its high tolerance against electrode swelling, which is closely associated with the stress-buffering action of nickel and the homogeneous distribution on nanoparticles induced by carbon. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Polat, B. D.; Sezgin, N.; Keles, O.] Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. [Abouimrane, A.; Amine, K.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Technol Program, Argonne, IL 60439 USA. [Amine, K.] King Abdulaziz Univ, Fac Sci, Jeddah 80203, Saudi Arabia. RP Keles, O (reprint author), Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. EM ozgulkeles@itu.edu.tr RI Faculty of, Sciences, KAU/E-7305-2017 NR 26 TC 4 Z9 4 U1 4 U2 41 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUL 20 PY 2014 VL 135 BP 585 EP 593 DI 10.1016/j.electacta.2014.05.024 PG 9 WC Electrochemistry SC Electrochemistry GA AM2PF UT WOS:000339692600074 ER PT J AU An, HJ Kaspi, VM Beloborodov, AM Kouveliotou, C Archibald, RF Boggs, SE Christensen, FE Craig, WW Gotthelf, EV Grefenstette, BW Hailey, CJ Harrison, FA Madsen, KK Mori, K Stern, D Zhang, WW AF An, Hongjun Kaspi, Victoria M. Beloborodov, Andrei M. Kouveliotou, Chryssa Archibald, Robert F. Boggs, Steven E. Christensen, Finn E. Craig, William W. Gotthelf, Eric V. Grefenstette, Brian W. Hailey, Charles J. Harrison, Fiona A. Madsen, Kristin K. Mori, Kaya Stern, Daniel Zhang, William W. TI NuSTAR OBSERVATIONS OF X-RAY BURSTS FROM THE MAGNETAR 1E 1048.1-5937 SO ASTROPHYSICAL JOURNAL LA English DT Article DE pulsars: individual (1E 1048.1-5937); stars: magnetars; stars: neutron; X-rays: bursts ID SOFT GAMMA-REPEATERS; NEUTRON-STARS; SGR 1627-41; PULSAR; 1E-1048.1-5937; VARIABILITY; SGR-1900+14; QUIESCENCE; EMISSION; OUTBURST AB We report the detection of eight bright X-ray bursts from the 6.5 s magnetar 1E 1048.1-5937, during a 2013 July observation campaign with the Nuclear Spectroscopic Telescope Array. We study the morphological and spectral properties of these bursts and their evolution with time. The bursts resulted in count rate increases by orders of magnitude, sometimes limited by the detector dead time, and showed blackbody spectra with kT 6-8 keV in the T90 duration of 1-4 s, similar to earlier bursts detected from the source. We find that the spectra during the tail of the bursts can be modeled with an absorbed blackbody with temperature decreasing with flux. The burst flux decays followed a power law of index 0.8-0.9. In the burst tail spectra, we detect a 13 keV emission feature, similar to those reported in previous bursts from this source as well as from other magnetars observed with the Rossi X-ray Timing Explorer. We explore possible origins of the spectral feature such as proton cyclotron emission, which implies a magnetic field strength of B 2x10(15) G in the emission region. However, the consistency of the energy of the feature in different objects requires further explanation. C1 [An, Hongjun; Kaspi, Victoria M.; Archibald, Robert F.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Beloborodov, Andrei M.; Gotthelf, Eric V.; Hailey, Charles J.; Mori, Kaya] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Kouveliotou, Chryssa] NASA, George C Marshall Space Flight Ctr, Space Sci Off, Huntsville, AL 35812 USA. [Boggs, Steven E.; Craig, William W.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Christensen, Finn E.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Craig, William W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Grefenstette, Brian W.; Harrison, Fiona A.; Madsen, Kristin K.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Stern, Daniel] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, William W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP An, HJ (reprint author), McGill Univ, Dept Phys, 3600 Univ St, Montreal, PQ H3A 2T8, Canada. RI Boggs, Steven/E-4170-2015; OI Boggs, Steven/0000-0001-9567-4224; An, Hongjun/0000-0002-6389-9012; Madsen, Kristin/0000-0003-1252-4891 FU National Aeronautics and Space Administration; NSERC Discovery Grant; FQRNT Centre de Recherche Astrophysique du Quebec; R. Howard Webster Foundation Fellowship from the Canadian Institute for Advanced Research (CIFAR); Canada Research Chairs Program; Lorne Trottier Chair in Astrophysics and Cosmology; NASA [NNX10AI72G, NNX13AI34G] FX This work was supported under NASA Contract No. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). V. M. K. acknowledges support from an NSERC Discovery Grant, the FQRNT Centre de Recherche Astrophysique du Quebec, an R. Howard Webster Foundation Fellowship from the Canadian Institute for Advanced Research (CIFAR), the Canada Research Chairs Program, and the Lorne Trottier Chair in Astrophysics and Cosmology. A. M. B. acknowledges the support by NASA grants NNX10AI72G and NNX13AI34G. NR 37 TC 11 Z9 11 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUL 20 PY 2014 VL 790 IS 1 AR 60 DI 10.1088/0004-637X/790/1/60 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL0SK UT WOS:000338836800060 ER PT J AU Drlica-Wagner, A Gomez-Vargas, GA Hewitt, JW Linden, T Tibaldo, L AF Drlica-Wagner, Alex Gomez-Vargas, German A. Hewitt, John W. Linden, Tim Tibaldo, Luigi TI SEARCHING FOR DARK MATTER ANNIHILATION IN THE SMITH HIGH-VELOCITY CLOUD SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; gamma rays: general; gamma rays: ISM; ISM: clouds ID LARGE-AREA TELESCOPE; GAMMA-RAY EMISSION; MILKY-WAY; CO SURVEY; GALAXY; CONSTRAINTS; GAS; PROPAGATION; CATALOG; MODELS AB Recent observations suggest that some high-velocity clouds may be confined by massive dark matter halos. In particular, the proximity and proposed dark matter content of the Smith Cloud make it a tempting target for the indirect detection of dark matter annihilation. We argue that the Smith Cloud may be a better target than some Milky Way dwarf spheroidal satellite galaxies and use gamma-ray observations from the Fermi Large Area Telescope to search for a dark matter annihilation signal. No significant gamma-ray excess is found coincident with the Smith Cloud, and we set strong limits on the dark matter annihilation cross section assuming a spatially extended dark matter profile consistent with dynamical modeling of the Smith Cloud. Notably, these limits exclude the canonical thermal relic cross section (similar to 3 x 10(-26) cm(3) s(-1)) for dark matter masses less than or similar to 30 GeV annihilating via the b (b) over bar or tau(+)tau(-) channels for certain assumptions of the dark matter density profile; however, uncertainties in the dark matter content of the Smith Cloud may significantly weaken these constraints. C1 [Drlica-Wagner, Alex] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Gomez-Vargas, German A.] Pontificia Univ Catolica Chile, Dept Fis, Santiago 4860, Chile. [Gomez-Vargas, German A.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Hewitt, John W.] Univ Maryland, CRESST, Baltimore, MD 21250 USA. [Hewitt, John W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Linden, Tim] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Tibaldo, Luigi] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, WW Hansen Expt Phys Lab, Dept Phys, Stanford, CA 94305 USA. [Tibaldo, Luigi] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. RP Drlica-Wagner, A (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. RI Gomez-Vargas, German/C-7138-2015 FU NASA Fermi Guest Investigator Program [61330]; NASA through Einstein Postdoctoral Award [PF3-140110]; Conicyt Anillo [ACT1102]; Spanish MICINN's Consolider-Ingenio 2010 Programme [MultiDark CSD2009-00064, FPA2012-34694]; Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF) [DE-AC05-06OR23100]; National Aeronautics and Space Administration and the Department of Energy in the United States; Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France; Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy; Ministry of Education, Culture, Sports, Science and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan; K.A. Wallenberg Foundation; Swedish Research Council and the Swedish National Space Board in Sweden FX We would like to thank Luca Baldini, Seth Digel, Guolaugur Johannesson, and Miguel Sanchez-Conde for helpful discussions. This project is partially supported by the NASA Fermi Guest Investigator Program Cycle 6 No. 61330. T.L. is supported by NASA through Einstein Postdoctoral Award No. PF3-140110. The work of G.A.G.V. was supported by Conicyt Anillo grant ACT1102 and the Spanish MICINN's Consolider-Ingenio 2010 Programme under grant MultiDark CSD2009-00064 and grant FPA2012-34694. A.D.W. received partial support from the Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF) administered by ORISE-ORAU under Contract No. DE-AC05-06OR23100.; The Fermi-LAT Collaboration acknowledges generous ongoing support from a number of agencies and institutes that have supported both the development and the operation of the LAT as well as scientific data analysis. These include the National Aeronautics and Space Administration and the Department of Energy in the United States, the Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France, the Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy, the Ministry of Education, Culture, Sports, Science and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan, and the K.A. Wallenberg Foundation, the Swedish Research Council and the Swedish National Space Board in Sweden. NR 48 TC 12 Z9 12 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUL 20 PY 2014 VL 790 IS 1 AR 24 DI 10.1088/0004-637X/790/1/24 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL0SK UT WOS:000338836800024 ER PT J AU Saumon, D Holberg, JB Kowalski, PM AF Saumon, D. Holberg, J. B. Kowalski, P. M. TI NEAR-UV ABSORPTION IN VERY COOL DA WHITE DWARFS SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars: abundances; stars: atmospheres; stars: fundamental parameters; white dwarfs ID DIGITAL-SKY-SURVEY; MODEL ATMOSPHERE ANALYSIS; SPECTRAL IRRADIANCE CALIBRATION; NAVAL OBSERVATORY PARALLAXES; INFRARED ARRAY CAMERA; PROPER-MOTION STARS; LUMINOSITY FUNCTION; FAINT STARS; HELIUM-ATMOSPHERE; SPACE-TELESCOPE AB The atmospheres of very cool, hydrogen-rich white dwarfs (WDs) (T-eff < 6000 K) are challenging to model because of the increased complexity of the equation of state, chemical equilibrium, and opacity sources in a low-temperature, weakly ionized dense gas. In particular, many models that assume relatively simple models for the broadening of atomic levels and mostly ideal gas physics overestimate the flux in the blue part of their spectra. A solution to this problem that has met with some success is that additional opacity at short wavelengths comes for the extreme broadening of the Lyman a line of atomic H by collisions primarily with H-2. For the purpose of validating this model more rigorously, we acquired Hubble Space Telescope STIS spectra of eight very cool WDs (five DA and three DC stars). Combined with their known parallaxes, BVRIJHK, and Spitzer IRAC photometry, we analyze their entire spectral energy distribution (from 0.24 to 9.3 mu m) with a large grid of model atmospheres and synthetic spectra. We find that the red wing of the Lyman a line reproduces the rapidly decreasing near-UV flux of these very cool stars very well. We determine better constrained values of T-eff and gravity as well as upper limits to the helium abundance in their atmospheres. C1 [Saumon, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Holberg, J. B.] Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. [Kowalski, P. M.] Forschungszentrum Julich, Inst Energy & Climate Res IEK 6, D-52425 Julich, Germany. RP Saumon, D (reprint author), Los Alamos Natl Lab, POB 1663,Mail Stop F663, Los Alamos, NM 87545 USA. EM dsaumon@lanl.gov; holberg@argus.lpl.arizona.edu; p.kowalski@fz-juelich.de RI Kowalski, Piotr/L-7411-2013 OI Kowalski, Piotr/0000-0001-6604-3458 FU NASA from the Space Telescope Science Institute [HST-GO-12188.02-A]; NASA [NAS5-26555] FX We thank the referee, Pierre Bergeron, for his constructive comments and sharing his insights, and Gilles Fontaine for providing tables of WD evolution sequences. Support for this publication was provided by NASA through program number HST-GO-12188.02-A from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, under NASA contract NAS5-26555. This work is based in part on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. NR 69 TC 0 Z9 0 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUL 20 PY 2014 VL 790 IS 1 AR 50 DI 10.1088/0004-637X/790/1/50 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL0SK UT WOS:000338836800050 ER PT J AU Constantine, PG Phipps, ET Wildey, TM AF Constantine, P. G. Phipps, E. T. Wildey, T. M. TI Efficient uncertainty propagation for network multiphysics systems SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE uncertainty quantification; multiphysics systems; network coupling; polynomial chaos; stochastic Galerkin; reduced quadrature ID COUPLED PROBLEMS; BOUSSINESQ EQUATIONS; ELLIPTIC PROBLEMS; CHAOS AB We consider a multiphysics system with multiple component PDE models coupled together through network coupling interfaces, that is, a handful of scalars. If each component model contains uncertainties represented by a set of parameters, a straightforward uncertainty quantification study would collect all uncertainties into a single set and treat the multiphysics model as a black box. Such an approach ignores the rich structure of the multiphysics system, and the combined space of uncertainties can have a large dimension that prohibits the use of polynomial surrogate models. We propose an intrusive methodology that exploits the structure of the network coupled multiphysics system to efficiently construct a polynomial surrogate of the model output as a function of uncertain inputs. Using a nonlinear elimination strategy, we treat the solution as a composite function: the model outputs are functions of the coupling terms, which are functions of the uncertain parameters. The composite structure allows us to construct and employ a reduced polynomial basis that depends on the coupling terms. The basis can be constructed with many fewer PDE solves than the naive approach, which results in substantial computational savings. We demonstrate the method on an idealized model of a nuclear reactor. Copyright (C) 2014 John Wiley & Sons, Ltd. C1 [Constantine, P. G.] Colorado Sch Mines, Golden, CO 80211 USA. [Phipps, E. T.; Wildey, T. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Phipps, ET (reprint author), Sandia Natl Labs, Optimizat & Uncertainty Quantificat Dept, POB 5800,MS 1318, Albuquerque, NM 87185 USA. EM etphipp@sandia.gov RI Constantine, Paul/G-6394-2015 OI Constantine, Paul/0000-0003-3726-6307 FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 26 TC 2 Z9 2 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0029-5981 EI 1097-0207 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD JUL 20 PY 2014 VL 99 IS 3 BP 183 EP 202 DI 10.1002/nme.4667 PG 20 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA AJ6KL UT WOS:000337802700002 ER PT J AU Chen, D Gao, F Deng, HQ Liu, B Hu, WY Sun, X AF Chen Dong Gao Fei Deng Hui-Qiu Liu Bo Hu Wang-Yu Sun Xin TI Migration of defect clusters and xenon-vacancy clusters in uranium dioxide SO INTERNATIONAL JOURNAL OF MODERN PHYSICS B LA English DT Article DE Defect clusters; migration mechanism; minimum energy paths; vacancy-assisted mechanism ID SADDLE-POINTS; UO2; DIFFUSION; DYNAMICS; HELIUM; TEM; XE AB The possible transition states, minimum energy paths (MEPs) and migration mechanisms of defect clusters and xenon-vacancy defect clusters in uranium dioxide (UO2) have been investigated using the dimer and the nudged elastic-band (NEB) methods. The nearby O atom can easily hop into the oxygen vacancy position by overcoming a small energy barrier, which is much lower than that for the migration of a uranium vacancy. A simulation for a vacancy cluster consisting of two oxygen vacancies reveals that the energy barrier of the divacancy migration tends to decrease with increasing the separation distance of divacancy. For an oxygen interstitial, the migration barrier for the hopping mechanism is almost three times larger than that for the exchange mechanism. Xe moving between two interstitial sites is unlikely a dominant migration mechanism considering the higher energy barrier. A net migration process of a Xe-vacancy pair containing an oxygen vacancy and a xenon interstitial is identified by the NEB method. We expect the oxygen vacancy-assisted migration mechanism to possibly lead to a long distance migration of the Xe interstitials in UO2. The migration of defect clusters involving Xe substitution indicates that Xe atom migrating away from the uranium vacancy site is difficult. C1 [Chen Dong; Liu Bo] Henan Univ, Inst Photobiophys, Dept Phys & Elect, Kaifeng 475004, Peoples R China. [Chen Dong; Sun Xin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Chen Dong; Deng Hui-Qiu; Hu Wang-Yu] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China. RP Chen, D (reprint author), Henan Univ, Inst Photobiophys, Dept Phys & Elect, Kaifeng 475004, Peoples R China. EM dongchen@henu.edu.cn; fei.gao@pnl.gov RI Hu, Wangyu/B-5762-2009; Deng, Huiqiu/A-9530-2009 OI Hu, Wangyu/0000-0001-7416-3994; Deng, Huiqiu/0000-0001-8986-104X FU National Natural Science Foundation of China [10976009]; Program for Innovation Research Team (in Science and Technology) in University of Henan Province [13IRT-STHN017 F]; China Scholarship Council FX This research was supported by the National Natural Science Foundation of China under Contract No. 10976009 and Program for Innovation Research Team (in Science and Technology) in University of Henan Province under Contract No. 13IRT-STHN017 F. Gao and X. Sun were by the U.S. Department of Energy's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program at Pacific Northwest National Laboratory. D. C. would like to acknowledge the China Scholarship Council for providing financial support during her visit to PNNL. The calculations were performed on the supercomputers in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy, Office of Biological and Environmental Research located at PNNL. NR 24 TC 0 Z9 0 U1 2 U2 26 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-9792 EI 1793-6578 J9 INT J MOD PHYS B JI Int. J. Mod. Phys. B PD JUL 20 PY 2014 VL 28 IS 18 AR 1450120 DI 10.1142/S0217979214501203 PG 13 WC Physics, Applied; Physics, Condensed Matter; Physics, Mathematical SC Physics GA AI6DS UT WOS:000336961000009 ER PT J AU Kim, SH Kothari, S Patel, AB Bielicki, JK Narayanaswami, V AF Kim, Sea H. Kothari, Shweta Patel, Arti B. Bielicki, John K. Narayanaswami, Vasanthy TI A pyrene based fluorescence approach to study conformation of apolipoprotein E3 in macrophage-generated nascent high density lipoprotein SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE Macrophage; Apolipoprotein E3; Nascent HDL; Pyrene fluorescence; Cross-linking; Reverse cholesterol transport ID REVERSE CHOLESTEROL TRANSPORT; LDL RECEPTOR-BINDING; DOMAIN; PARTICLES; ORGANIZATION; ASSOCIATION; INSIGHTS; PROTEIN; EFFLUX; SCALE AB Apolipoprotein E3 (apoE3) is an anti-atherogenic apolipoprotein with the ability to exist in lipid-free and lipoprotein-associated states. During atherosclerosis, its function in promoting cholesterol efflux from macrophages via the ATP-binding cassette transporter A1 (ABCA1) takes a prominent role, leading to generation of nascent high density lipoprotein (nHDL) particles. The objective of this study is to understand the conformation adopted by apoE3 in macrophage-generated nHDL using a fluorescence spectroscopic approach involving pyrene. Pyrene-labeled recombinant human apoE3 displayed a robust ability to stimulate ABCA1-mediated cholesterol efflux from cholesterol-loaded J774 macrophages (which do not express apoE), comparable to that elicited by unlabeled apoE3. The nHDL recovered from the conditioned medium revealed the presence of apoE3 by immunoblot analysis. A heterogeneous population of nHDL bearing exogenously added apoE3 was generated with particle size varying from similar to 12 to similar to 19 nm in diameter, corresponding to molecular mass of similar to 450 to similar to 700 kDa. The lipid: apoE3 ratio varied from similar to 60:1 to 10:1. A significant extent of pyrene excimer emission was noted in nHDL, indicative of spatial proximity between Cys112 on neighboring apoE3 molecules similar to that noted in reconstituted HDL. Cross-linking analysis using Cys-specific cross-linkers revealed the predominant presence of dimers. Taken together the data indicate a double belt arrangement of apoE molecules on nHDL. A similar organization of the C-terminal tail of apoE on nHDL was noted when pyrene-apoEA277C(201-299) was used as the cholesterol acceptor. These studies open up the possibility of using exogenously labeled apoE3 to generate nHDL for structural and conformational analysis. (C) 2014 Elsevier Inc. All rights reserved. C1 [Kim, Sea H.; Kothari, Shweta; Patel, Arti B.; Narayanaswami, Vasanthy] Calif State Univ Long Beach, Dept Chem & Biochem, Long Beach, CA 90840 USA. [Bielicki, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Narayanaswami, V (reprint author), Calif State Univ Long Beach, Dept Chem & Biochem, 1250 Bellflower Blvd, Long Beach, CA 90840 USA. EM vas.narayanaswami@csulb.edu FU Maria Erlinda Co Sarno; McAbee-Overstreet Graduate Research award; [NIH-GM105561] FX This work was funded by NIH-GM105561, Maria Erlinda Co Sarno (SHK) and McAbee-Overstreet Graduate Research award (SK). NR 25 TC 0 Z9 0 U1 0 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X EI 1090-2104 J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD JUL 18 PY 2014 VL 450 IS 1 BP 124 EP 128 DI 10.1016/j.bbrc.2014.05.071 PG 5 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AR5RK UT WOS:000343641000021 PM 24866239 ER PT J AU Calderon, PF Morales, EH Acuna, LG Fuentes, DN Gil, F Porwollik, S McClelland, M Saavedra, CP Calderon, IL AF Calderon, Paulina F. Morales, Eduardo H. Acuna, Lillian G. Fuentes, Danitza N. Gil, Fernando Porwollik, S. McClelland, Michael Saavedra, Claudia P. Calderon, Ivan L. TI The small RNA RyhB homologs from Salmonella typhimurium participate in the response to S-nitrosoglutathione-induced stress SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE sRNA; RyhB; Nitrosative stress; GSNO; RNS ID ENTERICA SEROVAR TYPHIMURIUM; CYTOCHROME-C-OXIDASE; NITRIC-OXIDE; ESCHERICHIA-COLI; OXIDATIVE STRESS; EXPRESSION; FLAVOHEMOGLOBIN; IDENTIFICATION; HOMEOSTASIS; REGULATOR AB Typically, the expression of sRNAs is activated in response to environmental stimuli in order to regulate gene expression through post-transcriptional mechanisms. In the present work we show that the Salmonella typhimurium paralogous sRNAs RyhB-1 and RyhB-2 are induced in response to the nitrosating agent S-nitrosoglutathione (GSNO). Inactivation of these sRNAs decreased S. typhimuriurn resistance to GSNO and increased the levels of nitrosylated proteins. These results prompted us to evaluate a possible role of these sRNAs in nitrosative stress resistance. RNA profiling was used as a screen to identify novel RyhB-1 and RyhB-2 regulated targets. A subset of genes was filtered based on their potential role in the response to nitrosative stress and their expression was analyzed by quantitative RT-PCR in wild type, single and double mutant strains (Delta ryhB1, Delta ryhB2 and Delta ryhB1 Delta ryhB2) treated with GSNO. In response to GSNO RyhB-1 and RyhB-2 negatively regulate the expression of the genes cyoABC (cytochrome ho oxidase), cydB (cytochrome bd oxidase), cybC (cytochrome b-562), and positively regulate the nirBCD operon (nitrite reductase system). Together, these results suggest that RyhB-1 and RyhB-2 finely tune the expression of genes coding for cytochrome oxidases and the nitrate reductase system, allowing the cell to cope with GSNO-induced stress. (C) 2014 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/). C1 [Calderon, Paulina F.; Fuentes, Danitza N.; Gil, Fernando; Saavedra, Claudia P.; Calderon, Ivan L.] Univ Andres Bello, Fac Ciencias Biol, Lab Microbiol Mol, Santiago, Chile. [Morales, Eduardo H.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI USA. [Morales, Eduardo H.] Univ Wisconsin, Dept Biomol Chem, Madison, WI USA. [Acuna, Lillian G.] Fdn Ciencia & Vida, Lab Ecofisiol Microbiana, Santiago, Chile. [Porwollik, S.; McClelland, Michael] Univ Calif Irvine, Dept Microbiol & Mol Genet, Irvine, CA 92697 USA. RP Calderon, IL (reprint author), Univ Andres Bello, Fac Ciencias Biol, Lab Microbiol Mol, Republ 217, Santiago, Chile. EM pau.calderon@uandresbello.edu; emorales2@wisc.edu; lillian.gabriela@gmail.com; danit.fuentes@uandresbello.edu; fernandogil@unab.cl; sporwoll@uci.edu; mmcclell@uci.edu; csaavedra@unab.cl; lcalderon@unab.cl OI McClelland, Michael/0000-0003-1788-9347 FU FONDECYT [11110216]; UNAB [DI-340-13/R] FX This work received financial support from FONDECYT 11110216 and UNAB DI-340-13/R. NR 47 TC 6 Z9 6 U1 1 U2 10 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X EI 1090-2104 J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD JUL 18 PY 2014 VL 450 IS 1 BP 641 EP 645 DI 10.1016/j.bbrc.2014.06.031 PG 5 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AR5RK UT WOS:000343641000105 PM 24937451 ER PT J AU Mayer, KFX Rogers, J Dolezel, J Pozniak, C Eversole, K Feuillet, C Gill, B Friebe, B Lukaszewski, AJ Sourdille, P Endo, TR Dolezel, J Kubalakova, M Cihalikova, J Dubska, Z Vrana, J Sperkova, R Simkova, H Rogers, J Febrer, M Clissold, L McLay, K Singh, K Chhuneja, P Singh, NK Khurana, J Akhunov, E Choulet, F Sourdille, P Feuillet, C Alberti, A Barbe, V Wincker, P Kanamori, H Kobayashi, F Itoh, T Matsumoto, T Sakai, H Tanaka, T Wu, JZ Ogihara, Y Handa, H Pozniak, C Maclachlan, PR Sharpe, A Klassen, D Edwards, D Batley, J Olsen, OA Sandve, SR Lien, S Steuernagel, B Wulff, B Caccamo, M Ayling, S Ramirez-Gonzalez, RH Clavijo, BJ Steuernagel, B Wright, J Pfeifer, M Spannagl, M Mayer, KFX Martis, MM Akhunov, E Choulet, F Mayer, KFX Mascher, M Chapman, J Poland, JA Scholz, U Barry, K Waugh, R Rokhsar, DS Muehlbauer, GJ Stein, N Gundlach, H Zytnicki, M Jamilloux, V Quesneville, H Wicker, T Mayer, KFX Faccioli, P Colaiacovo, M Pfeifer, M Stanca, AM Budak, H Cattivelli, L Glover, N Martis, MM Choulet, F Feuillet, C Mayer, KFX Pfeifer, M Pingault, L Mayer, KFX Paux, E Spannagl, M Sharma, S Mayer, KFX Pozniak, C Appels, R Bellgard, M Chapman, B Pfeifer, M Pfeifer, M Sandve, SR Nussbaumer, T Bader, KC Choulet, F Feuillet, C Mayer, KFX Akhunov, E Paux, E Rimbert, H Wang, SC Poland, JA Knox, R Kilian, A Pozniak, C Alaux, M Alfama, F Couderc, L Jamilloux, V Guilhot, N Viseux, C Loaec, M Quesneville, H Rogers, J Dolezel, J Eversole, K Feuillet, C Keller, B Mayer, KFX Olsen, OA Praud, S AF Mayer, Klaus F. X. Rogers, Jane Dolezel, Jaroslav Pozniak, Curtis Eversole, Kellye Feuillet, Catherine Gill, Bikram Friebe, Bernd Lukaszewski, Adam J. Sourdille, Pierre Endo, Takashi R. Dolezel, Jaroslav Kubalakova, Marie Cihalikova, Jarmila Dubska, Zdenka Vrana, Jan Sperkova, Romana Simkova, Hana Rogers, Jane Febrer, Melanie Clissold, Leah McLay, Kirsten Singh, Kuldeep Chhuneja, Parveen Singh, Nagendra K. Khurana, Jitendra Akhunov, Eduard Choulet, Frederic Sourdille, Pierre Feuillet, Catherine Alberti, Adriana Barbe, Valerie Wincker, Patrick Kanamori, Hiroyuki Kobayashi, Fuminori Itoh, Takeshi Matsumoto, Takashi Sakai, Hiroaki Tanaka, Tsuyoshi Wu, Jianzhong Ogihara, Yasunari Handa, Hirokazu Pozniak, Curtis Maclachlan, P. Ron Sharpe, Andrew Klassen, Darrin Edwards, David Batley, Jacqueline Olsen, Odd-Arne Sandve, Simen Rod Lien, Sigbjorn Steuernagel, Burkhard Wulff, Brande Caccamo, Mario Ayling, Sarah Ramirez-Gonzalez, Ricardo H. Clavijo, Bernardo J. Steuernagel, Burkhard Wright, Jonathan Pfeifer, Matthias Spannagl, Manuel Mayer, Klaus F. X. Martis, Mihaela M. Akhunov, Eduard Choulet, Frederic Mayer, Klaus F. X. Mascher, Martin Chapman, Jarrod Poland, Jesse A. Scholz, Uwe Barry, Kerrie Waugh, Robbie Rokhsar, Daniel S. Muehlbauer, Gary J. Stein, Nils Gundlach, Heidrun Zytnicki, Matthias Jamilloux, Veronique Quesneville, Hadi Wicker, Thomas Mayer, Klaus F. X. Faccioli, Primetta Colaiacovo, Moreno Pfeifer, Matthias Stanca, Antonio Michele Budak, Hikmet Cattivelli, Luigi Glover, Natasha Martis, Mihaela M. Choulet, Frederic Feuillet, Catherine Mayer, Klaus F. X. Pfeifer, Matthias Pingault, Lise Mayer, Klaus F. X. Paux, Etienne Spannagl, Manuel Sharma, Sapna Mayer, Klaus F. X. Pozniak, Curtis Appels, Rudi Bellgard, Matthew Chapman, Brett Pfeifer, Matthias Pfeifer, Matthias Sandve, Simen Rod Nussbaumer, Thomas Bader, Kai Christian Choulet, Frederic Feuillet, Catherine Mayer, Klaus F. X. Akhunov, Eduard Paux, Etienne Rimbert, Helene Wang, Shichen Poland, Jesse A. Knox, Ron Kilian, Andrzej Pozniak, Curtis Alaux, Michael Alfama, Francoise Couderc, Loic Jamilloux, Veronique Guilhot, Nicolas Viseux, Claire Loaec, Mikael Quesneville, Hadi Rogers, Jane Dolezel, Jaroslav Eversole, Kellye Feuillet, Catherine Keller, Beat Mayer, Klaus F. X. Olsen, Odd-Arne Praud, Sebastien CA IWGSC TI A chromosome-based draft sequence of the hexaploid bread wheat (Triticum aestivum) genome SO SCIENCE LA English DT Article ID GENE-EXPRESSION; POLYPLOID WHEAT; AEGILOPS-TAUSCHII; A-GENOME; EVOLUTION; TRANSCRIPTOME; REVEALS; ARABIDOPSIS; RICE; ANNOTATION AB An ordered draft sequence of the 17-gigabase hexaploid bread wheat (Triticum aestivum) genome has been produced by sequencing isolated chromosome arms. We have annotated 124,201 gene loci distributed nearly evenly across the homeologous chromosomes and subgenomes. Comparative gene analysis of wheat subgenomes and extant diploid and tetraploid wheat relatives showed that high sequence similarity and structural conservation are retained, with limited gene loss, after polyploidization. However, across the genomes there was evidence of dynamic gene gain, loss, and duplication since the divergence of the wheat lineages. A high degree of transcriptional autonomy and no global dominance was found for the subgenomes. These insights into the genome biology of a polyploid crop provide a springboard for faster gene isolation, rapid genetic marker development, and precise breeding to meet the needs of increasing food demand worldwide. C1 [Mayer, Klaus F. X.; Pfeifer, Matthias; Spannagl, Manuel; Martis, Mihaela M.; Gundlach, Heidrun; Sharma, Sapna; Nussbaumer, Thomas; Bader, Kai Christian] Helmholtz Zentrum Munich, D-85764 Neuherberg, Germany. [Rogers, Jane; Eversole, Kellye] Eversole Associates, IWGSC, Bethesda, MD 20816 USA. [Dolezel, Jaroslav; Kubalakova, Marie; Cihalikova, Jarmila; Dubska, Zdenka; Vrana, Jan; Sperkova, Romana; Simkova, Hana] Ctr Plant Struct & Funct Genom, Inst Expt Bot, Olomouc 78371, Czech Republic. [Pozniak, Curtis; Maclachlan, P. Ron] Univ Saskatchewan, Ctr Crop Dev, Dept Plant Sci, Coll Agr & Bioresources, Saskatoon, SK S7N 0W0, Canada. [Feuillet, Catherine] Bayer Crop Sci, Morrisville, NC 27560 USA. [Gill, Bikram; Friebe, Bernd; Akhunov, Eduard; Wang, Shichen] Kansas State Univ, Dept Plant Pathol, Manhattan, KS 66506 USA. [Lukaszewski, Adam J.] Univ Calif Riverside, Coll Nat & Agr Sci Bot & Plant Sci, Riverside, CA 92521 USA. [Endo, Takashi R.] Kyoto Univ, Grad Sch Agr, Lab Plant Genet, Kyoto 6068502, Japan. [Febrer, Melanie] Univ Dundee, Genom Sequencing Unit, Dundee DD1 5EH, Scotland. [Clissold, Leah; McLay, Kirsten; Caccamo, Mario; Ayling, Sarah; Ramirez-Gonzalez, Ricardo H.; Clavijo, Bernardo J.; Wright, Jonathan] Genome Anal Ctr, Norwich NR4 7UH, Norfolk, England. [Singh, Kuldeep; Chhuneja, Parveen] Punjab Agr Univ, Sch Agrictural Biotechnol, Ludhiana 141004, Punjab, India. [Singh, Nagendra K.] Indian Agr Res Inst, Natl Res Ctr Plant Biotechnol, New Delhi 110012, India. [Khurana, Jitendra] Univ Delhi, Interdisciplinary Ctr Plant Genom, New Delhi 110021, India. [Khurana, Jitendra] Univ Delhi, Dept Plant Mol Biol, New Delhi 110021, India. [Sourdille, Pierre; Choulet, Frederic; Glover, Natasha; Pingault, Lise; Paux, Etienne; Guilhot, Nicolas] Univ Clermont Ferrand, INRA, Genet Divers & Ecophysiol Cereals UMR1095, F-63039 Clermont Ferrand, France. [Alberti, Adriana; Barbe, Valerie; Wincker, Patrick] Commissariat Energie Atom Genoscope, Ctr Natl Sequencage, F-91057 Evry, France. [Kanamori, Hiroyuki; Kobayashi, Fuminori; Itoh, Takeshi; Matsumoto, Takashi; Sakai, Hiroaki; Tanaka, Tsuyoshi; Wu, Jianzhong; Handa, Hirokazu] Natl Inst Agrobiol Sci, Plant Genome Res Unit, Tsukuba, Ibaraki 3058602, Japan. [Ogihara, Yasunari] Yokohama City Univ, Kihara Inst Biol Res, Totsuka Ku, Yokohama, Kanagawa 2440813, Japan. [Sharpe, Andrew; Klassen, Darrin] Natl Res Council Canada, Saskatoon, SK S7N 0W9, Canada. [Edwards, David; Batley, Jacqueline] Univ Queensland, Australian Ctr Plant Funct Genom, Sch Agr & Food Sci, St Lucia, Qld 4072, Australia. [Edwards, David; Batley, Jacqueline] Univ Western Australia, Sch Plant Biol, Nedlands, WA 6009, Australia. [Olsen, Odd-Arne; Sandve, Simen Rod] Norwegian Univ Life Sci, Dept Plant Sci, Ctr Integrat Genet CIGENE, N-1432 As, Norway. [Olsen, Odd-Arne] Hedmark Univ Coll, Dept Nat Sci & Technol, N-2318 Elverum, Norway. [Steuernagel, Burkhard; Wulff, Brande] Sainsbury Lab, Norwich NR4 7UH, Norfolk, England. [Mascher, Martin; Scholz, Uwe] Leibniz Inst Plant Genet & Crop Plant Res IPK, D-06466 Seeland Ot Gatersleben, Germany. [Chapman, Jarrod; Barry, Kerrie; Rokhsar, Daniel S.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Poland, Jesse A.] Kansas State Univ, USDA ARS, Hard Winter Wheat Genet Res Unit, Manhattan, KS 66506 USA. [Poland, Jesse A.] Kansas State Univ, Dept Agron, Manhattan, KS 66506 USA. [Waugh, Robbie] James Hutton Inst, Dundee DD2 5DA, Scotland. [Muehlbauer, Gary J.] Univ Minnesota, Dept Plant Biol, Dept Agron & Plant Genet, St Paul, MN 55108 USA. [Stein, Nils] Leibniz Inst Plant Genet & Crop Plant Res IPK, D-06466 Seeland Ot Gatersleben, Germany. [Zytnicki, Matthias; Jamilloux, Veronique; Quesneville, Hadi; Alaux, Michael; Alfama, Francoise; Couderc, Loic; Viseux, Claire; Loaec, Mikael] INRA, URGI Res Unit Genom Info UR1164, F-78026 Versailles, France. [Wicker, Thomas; Keller, Beat] Univ Zurich, Inst Plant Biol, CH-8008 Zurich, Switzerland. [Faccioli, Primetta; Colaiacovo, Moreno; Stanca, Antonio Michele; Cattivelli, Luigi] Genom Res Ctr, Consiglio Ric & Sperimentaz Agr, I-29017 Fiorenzuola Darda, Italy. [Budak, Hikmet] Sabanci Univ, Biol Sci & Bioengn Program, TR-34956 Istanbul, Turkey. [Appels, Rudi; Bellgard, Matthew; Chapman, Brett] Murdoch Univ, Ctr Comparat Genom, Perth, WA 6150, Australia. [Knox, Ron] Semiarid Prairie Agr Res Ctr, Swift Current, SK S9H 3X2, Canada. [Kilian, Andrzej] Divers Arrays Technol Pty Ltd, Yarralumla, ACT 2600, Australia. [Rimbert, Helene; Praud, Sebastien] Biogemma, Ctr Rech Chappes, F-63720 Chappes, France. [Lien, Sigbjorn] Norwegian Univ Life Sci, CIGENE, Dept Anim & Aquicultural Sci, N-1432 As, Norway. RP Mayer, KFX (reprint author), Helmholtz Zentrum Munich, Ingolstadter Landstr 1, D-85764 Neuherberg, Germany. EM k.mayer@helmholtz-muenchen.de; janerogersh@gmail.com; dolezel@ueb.cas.cz; curtis.pozniak@usask.ca; eversole@eversoleassociates.com; catherine.feuillet@bayer.com RI Dolezel, Jaroslav/B-7716-2008; Vrana, Jan/F-7306-2014; Wulff, Brande/N-4273-2013; Budak, Hikmet/F-4708-2010; HANDA, Hirokazu/C-9781-2009; Mayer, Klaus/M-7941-2015; Wang, Shichen/E-6213-2012; Wulff, Brande/C-7465-2013; OI Wright, Jonathan/0000-0001-6471-8749; Knox, Ron/0000-0002-2030-3899; Scholz, Uwe/0000-0001-6113-3518; Poland, Jesse/0000-0002-7856-1399; cattivelli, luigi/0000-0002-6067-4600; Clavijo, Bernardo J./0000-0002-7597-2774; Colaiacovo, Moreno/0000-0003-1320-0506; Dolezel, Jaroslav/0000-0002-6263-0492; Vrana, Jan/0000-0001-6171-8516; Budak, Hikmet/0000-0002-2556-2478; HANDA, Hirokazu/0000-0003-2985-2883; Mayer, Klaus/0000-0001-6484-1077; Wang, Shichen/0000-0003-1441-2252; Wulff, Brande/0000-0003-4044-4346; Ramirez Gonzalez, Ricardo Humberto/0000-0001-5745-7085; Steuernagel, Burkhard/0000-0002-8284-7728 FU Institut National de la Recherche Agronomique (INRA); International Center for Agricultural Research in the Dry Areas; Department of Biotechnology, Ministry of Science and Technology, Government of India [BT/IWGSC/03/TF/2008]; Biotechnology and Biological Sciences Research Council (BBSRC UK); 3A-U.S. Department of Agriculture Agriculture and Food Research Initiative (USDA AFRI) Triticeae-CAP [2011-68002-30029]; Kansas Wheat Commission; French National Research Agency [ANR-09-GENM-025 3BSEQ]; France Agrimer; Ministry of Agriculture, Forestry and Fisheries of Japan [KGS-1003,1004, NGB-1003]; Nisshin Flour Milling Incorporated; Genome Canada; Genome Prairie; University of Saskatchewan Ministry of Agriculture, Western Grains Research Foundation; Norwegian Research Council [199387]; Graminor AS; Czech Science foundation [P501/12/G090, P501/12/2554]; BBSRC (UK); German Ministry for Education and Research (BMBF) Plant2030; TRITEX; Deutsche Forschungsgemeinschaft (DFG) [SFB 924]; EC Transplant; IWGSC; Arcadia Biosciences; Australian Centre for Plant Functional Genomics; Biogemma; Bayer CropScience; Commonwealth Science and Industrial Research Organisation; Centro Internacional de Mejoramiento de Maiz y Trigo; Cereales Vallee; Dow AgroSciences; Dupont; Evogene; Florimond Desprez; Grains Research and Development Corporation; Graminor; Heartland Plant Innovation; INRA; KWS; Limagrain; Monsanto; RAGT; Syngenta; European Commission Marie Curie Actions (FP7-MC-IIF-Noncollinear Genes) FX The authors would like to thank Graminor AS; Biogemma; Institut National de la Recherche Agronomique (INRA); International Center for Agricultural Research in the Dry Areas; Department of Biotechnology, Ministry of Science and Technology, Government of India (chr. 2A; grant no. BT/IWGSC/03/TF/2008); and the Biotechnology and Biological Sciences Research Council (BBSRC UK) for funding the chromosome sequencing at the Genome Analysis Centre. Chromosome sequencing at other centers was funded by the following: chr. 3A-U.S. Department of Agriculture Agriculture and Food Research Initiative (USDA AFRI) Triticeae-CAP (2011-68002-30029) and the Kansas Wheat Commission; chr. 3B-grants from the French National Research Agency (ANR-09-GENM-025 3BSEQ) and France Agrimer; chr. 6B-grants from the Ministry of Agriculture, Forestry and Fisheries of Japan "Genomics for agricultural innovation KGS-1003,1004", "Genomics based technology for agricultural improvement, NGB-1003," and Nisshin Flour Milling Incorporated; chr. 6D and Triticum durum cv. Strongfield-grants from Genome Canada, Genome Prairie, University of Saskatchewan Ministry of Agriculture, Western Grains Research Foundation; chr. 7B-grant no. 199387 from the Norwegian Research Council and from Graminor AS; chr. 7A and 7D sequence reads were provided by D. E.. Chromosome flow sorting and DNA preparation was supported through grants P501/12/G090 and P501/12/2554 from the Czech Science foundation. Chromosome sequence assembly was supported by the BBSRC (UK). K. F. X. M. acknowledges grants from the German Ministry for Education and Research (BMBF) Plant2030, TRITEX, Deutsche Forschungsgemeinschaft (DFG) SFB 924, and EC Transplant. K. E. and J.R. are supported by sponsors of the IWGSC, which include Arcadia Biosciences, Australian Centre for Plant Functional Genomics, Biogemma, Bayer CropScience, Commonwealth Science and Industrial Research Organisation, Centro Internacional de Mejoramiento de Maiz y Trigo, Cereales Vallee, Dow AgroSciences, Dupont, Evogene, Florimond Desprez, Grains Research and Development Corporation, Graminor, Heartland Plant Innovation, INRA, KWS, Kansas Wheat Commission, Limagrain, Monsanto, RAGT, and Syngenta. N. G. is supported by European Commission Marie Curie Actions (FP7-MC-IIF-Noncollinear Genes). T. W. is supported by the Swiss National Foundation and P. F., M. C., A. M. S., and L. C. are supported by the Italian Ministry of Agriculture special project "MAPPA-5A." H. B. acknowledges funding from Sabanci University and the Scientific and Technological Research Council of Turkey. B. W. and B. S. were funded by the Gatsby Charitable Foundation and the BBSRC (UK) Grant BB/J003166/1. R. W. is a Trustee Director of TGAC, Norwich, UK, and A. K. is a shareholder of Diversity Arrays Technology Pty Ltd. The POPSeq analysis carried out by the U. S. Department of Energy Joint Genome Institute was supported by the Office of Science of the U. S. Department of Energy under contract no. DE-AC02-05CH11231. Additional support for the work was funded from the Triticeae-CAP, USDA AFRI (2011-68002-30029) to G.J.M.; the Scottish Government Rural and Environment Science and Analytical Services Division Research Programme to R. W.; and the German Ministry of Research and Education (BMBF TRITEX 0315954) to N.S. Sequence reads and assembled sequences are available at European Molecular Biology Laboratory/GenBank/DNA Data Bank of Japan short read archives and sequence repositories, respectively (PRJEB3955-whole-genome sequences of T. aestivum 'Chinese Spring,' T. urartu, Ae. speltoides, Ae.; tauschii, T. turgidum; SRP004490.3-whole-genome sequencing of T. monococcum; SRP004490-whole-genome sequencing of Ae. tauschii; PRJEB4849 -whole-genome sequences of Ae. sharonensis; PRJEB4750-T. aestivum RNA-seq data; SRP037990-T. aestivum SynOpDH mapping population; SRP037781-T. aestivum synthetic opata M85; SRP037994-T. aestivum synthetic W7984). All data can be accessed via the IWGSC repository at Unite de Rercherche Genomique Info: http://wheat-urgi.versailles.inra.fr/Seq-Repository/. NR 86 TC 148 Z9 150 U1 28 U2 174 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JUL 18 PY 2014 VL 345 IS 6194 SI SI AR 1251788 DI 10.1126/science.1251788 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AR2MB UT WOS:000343420300004 ER PT J AU Pratt, ST AF Pratt, Stephen T. TI Charge transfer goes the distance SO SCIENCE LA English DT Editorial Material ID DYNAMICS C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Pratt, ST (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM stpratt@anl.gov NR 12 TC 0 Z9 1 U1 2 U2 23 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JUL 18 PY 2014 VL 345 IS 6194 BP 267 EP 268 DI 10.1126/science.1255943 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL8PG UT WOS:000339400700027 PM 25035473 ER PT J AU Czarnecki, O Yang, J Wang, XP Wang, SC Muchero, W Tuskan, GA Chen, JG AF Czarnecki, Olaf Yang, Jun Wang, Xiaoping Wang, Shucai Muchero, Wellington Tuskan, Gerald A. Chen, Jin-Gui TI Characterization of MORE AXILLARY GROWTH Genes in Populus SO PLOS ONE LA English DT Article ID ARBUSCULAR MYCORRHIZAL FUNGI; TILLER BUD OUTGROWTH; PHOSPHATE DEFICIENCY; STRIGOLACTONE RESEARCH; PHOSPHORUS DEFICIENCY; PLANT DEVELOPMENT; ROOT PARASITES; ARABIDOPSIS; RICE; INHIBITION AB Background: Strigolactones are a new class of plant hormones that play a key role in regulating shoot branching. Studies of branching mutants in Arabidopsis, pea, rice and petunia have identified several key genes involved in strigolactone biosynthesis or signaling pathway. In the model plant Arabidopsis, MORE AXILLARY GROWTH1 (MAX1), MAX2, MAX3 and MAX4 are four founding members of strigolactone pathway genes. However, little is known about the strigolactone pathway genes in the woody perennial plants. Methodology/Principal Finding: Here we report the identification of MAX homologues in the woody model plant Populus trichocarpa. We identified the sequence homologues for each MAX protein in P. trichocarpa. Gene expression analysis revealed that Populus MAX paralogous genes are differentially expressed across various tissues and organs. Furthermore, we showed that Populus MAX genes could complement or partially complement the shoot branching phenotypes of the corresponding Arabidopsis max mutants. Conclusion/Significance: This study provides genetic evidence that strigolactone pathway genes are likely conserved in the woody perennial plants and lays a foundation for further characterization of strigolactone pathway and its functions in the woody perennial plants. C1 [Czarnecki, Olaf; Yang, Jun; Wang, Xiaoping; Muchero, Wellington; Tuskan, Gerald A.; Chen, Jin-Gui] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Yang, Jun] Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Plant Physiol & Ecol, Natl Key Lab Plant Mol Genet, Shanghai, Peoples R China. [Wang, Xiaoping; Wang, Shucai] NE Normal Univ, Inst Cytol & Genet, Key Lab Mol Epigenet MOE, Changchun, Peoples R China. RP Chen, JG (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM chenj@ornl.gov RI Chen, Jin-Gui/A-4773-2011; Tuskan, Gerald/A-6225-2011; OI Chen, Jin-Gui/0000-0002-1752-4201; Tuskan, Gerald/0000-0003-0106-1289; muchero, wellington/0000-0002-0200-9856 FU United States Department of Energy, Office of Science, Biological and Environmental Research; United States Department of Energy [DE-AC05-00OR22725]; Laboratory Directed Research and Development Program (Seed Money Fund) of Oak Ridge National Laboratory; Chinese Academy of Sciences [201019]; China Scholarship Council FX This work was supported by the Plant-Microbe Interfaces Scientific Focus Area (http://pmi.ornl.gov:8080/pmi/index.jsp) in the Genomic Science Program, United States Department of Energy, Office of Science, Biological and Environmental Research (http://science.energy.gov/ber/). Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the United States Department of Energy under contract DE-AC05-00OR22725. The early phase of this work was supported by the Laboratory Directed Research and Development Program (Seed Money Fund) of Oak Ridge National Laboratory (http://www.ornl.gov/). J.Y. was partially supported by a visiting scholarship from the Chinese Academy of Sciences (http://english.cas.cn/) (grant number: 201019). X.W. was partially supported by a visiting scholarship from the China Scholarship Council (http://en.csc.edu.cn/). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 56 TC 11 Z9 11 U1 1 U2 30 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 18 PY 2014 VL 9 IS 7 AR e102757 DI 10.1371/journal.pone.0102757 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AM1OC UT WOS:000339615200083 PM 25036388 ER PT J AU Zhong, RD Schneeloch, JA Liu, TS Camino, FE Tranquada, JM Gu, GD AF Zhong, R. D. Schneeloch, J. A. Liu, T. S. Camino, F. E. Tranquada, J. M. Gu, G. D. TI Superconductivity induced by In substitution into the topological crystalline insulator Pb0.5Sn0.5Te SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION; INDIUM; SNTE; )(0.84)IN0.16TE; TEMPERATURE; PBXSN1-XTE; DEPENDENCE AB Indium substitution turns the topological crystalline insulator (TCI) Pb0.5Sn0.5Te into a possible topological superconductor. To investigate the effect of the indium concentration on the crystal structure and superconducting properties of (Pb0.5Sn0.5)(1-x)InxTe, we have grown high-quality single crystals using a modified floating-zone method and have performed systematic studies for indium content in the range 0 <= x <= 0.35. We find that the single crystals retain the rocksalt structure up to the solubility limit of indium (x similar to 0.30). Experimental dependencies of the superconducting transition temperature (T-c) and the upper critical magnetic field (H-c2) on the indium content x have been measured. The maximum T-c is determined to be 4.7 K at x = 0.30, with mu H-0(c2)(T = 0) approximate to 5 T. C1 [Zhong, R. D.; Schneeloch, J. A.; Liu, T. S.; Tranquada, J. M.; Gu, G. D.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Zhong, R. D.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Schneeloch, J. A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Liu, T. S.] North Univ China, Sch Chem Engn & Environm, Shanxi 030051, Peoples R China. [Camino, F. E.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Zhong, RD (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM ggu@bnl.gov RI Tranquada, John/A-9832-2009; Zhong, Ruidan/D-5296-2013; OI Tranquada, John/0000-0003-4984-8857; Zhong, Ruidan/0000-0003-1652-9454; Schneeloch, John/0000-0002-3577-9574 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Center for Emergent Superconductivity an Energy Frontier Research Center - Office of Basic Energy Sciences FX Work at Brookhaven, including at the Center for Functional Nanomaterials, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-98CH10886. R.D.Z. and J.A.S. were supported by the Center for Emergent Superconductivity an Energy Frontier Research Center funded by the Office of Basic Energy Sciences. NR 34 TC 9 Z9 9 U1 2 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 18 PY 2014 VL 90 IS 2 AR 020505 DI 10.1103/PhysRevB.90.020505 PG 5 WC Physics, Condensed Matter SC Physics GA AL9FN UT WOS:000339446000001 ER PT J AU Deur, A Prok, Y Burkert, V Crabb, D Girod, FX Griffioen, KA Guler, N Kuhn, SE Kvaltine, N AF Deur, A. Prok, Y. Burkert, V. Crabb, D. Girod, F. -X. Griffioen, K. A. Guler, N. Kuhn, S. E. Kvaltine, N. TI High precision determination of the Q(2) evolution of the Bjorken sum SO PHYSICAL REVIEW D LA English DT Article ID SPIN STRUCTURE-FUNCTION; DEPENDENT STRUCTURE-FUNCTION; DEEP-INELASTIC-SCATTERING; STRUCTURE FUNCTIONS G(1)(P); STRUCTURE FUNCTIONS G(2); PROTON-SCATTERING; POLARIZED TARGET; ASYMMETRY A(2); DEUTERON; NEUTRON AB We present a significantly improved determination of the Bjorken sum for 0.6 <= Q(2) <= 4.8 GeV2 using precise new g(1)(p) and g(1)(d) data taken with the CLAS detector at Jefferson Lab. A higher-twist analysis of the Q(2) dependence of the Bjorken sum yields the twist-4 coefficient f(2)(p-n) -0.064 +/- 0.009 +/-(0.032)(0.036). This leads to the color polarizabilities chi(p-n)(E) -0.032 +/- 0.024 and chi(p-n)(B) 0.032 +/- 0.013. The strong force coupling is determined to be alpha((MS) over bar)(s) (M-Z(2)) 0.1123 +/- 0.0061, which has an uncertainty a factor of 1.5 smaller than earlier estimates using polarized deep inelastic scattering (DIS) data. This improvement makes the comparison between alpha(s) extracted from polarized DIS and other techniques a valuable test of QCD. C1 [Deur, A.; Prok, Y.; Burkert, V.; Girod, F. -X.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Prok, Y.; Guler, N.; Kuhn, S. E.] Old Dominion Univ, Norfolk, VA 23529 USA. [Crabb, D.; Kvaltine, N.] Univ Virginia, Charlottesville, VA 22904 USA. [Griffioen, K. A.] Coll William & Mary, Williamsburg, VA 23187 USA. RP Deur, A (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. FU U.S. Department of Energy (DOE) [DE-FG02-96ER40960, DE-FG02-96ER41003]; U.S. National Science Foundation; Jefferson Science Associates operate the Thomas Jefferson National Accelerator Facility for the DOE [DE-AC05-84ER40150] FX We thank J. Soffer and R. S. Pasechnik for providing the curves from [28], J. Bluemlein and H. Boettcher for pointing out the importance of threshold matching in the evolution of as, and P. Bosted for reading the manuscript and for useful discussions. This work is supported by the U.S. Department of Energy (DOE) and the U.S. National Science Foundation. The Jefferson Science Associates operate the Thomas Jefferson National Accelerator Facility for the DOE under Contract No. DE-AC05-84ER40150, with additional support from DOE Grants No. DE-FG02-96ER40960 (S. K., N. G., Y. P.) and No. DE-FG02-96ER41003 (K. G.). NR 79 TC 6 Z9 6 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 18 PY 2014 VL 90 IS 1 AR 012009 DI 10.1103/PhysRevD.90.012009 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AM0VG UT WOS:000339564900002 ER PT J AU Zastrau, U Sperling, P Becker, A Bornath, T Bredow, R Doppner, T Dziarzhytski, S Fennel, T Fletcher, LB Forster, E Fortmann, C Glenzer, SH Gode, S Gregori, G Harmand, M Hilbert, V Holst, B Laarmann, T Lee, HJ Ma, T Mithen, JP Mitzner, R Murphy, CD Nakatsutsumi, M Neumayer, P Przystawik, A Roling, S Schulz, M Siemer, B Skruszewicz, S Tiggesbaumker, J Toleikis, S Tschentscher, T White, T Wostmann, M Zacharias, H Redmer, R AF Zastrau, U. Sperling, P. Becker, A. Bornath, T. Bredow, R. Doeppner, T. Dziarzhytski, S. Fennel, T. Fletcher, L. B. Forster, E. Fortmann, C. Glenzer, S. H. Goede, S. Gregori, G. Harmand, M. Hilbert, V. Holst, B. Laarmann, T. Lee, H. J. Ma, T. Mithen, J. P. Mitzner, R. Murphy, C. D. Nakatsutsumi, M. Neumayer, P. Przystawik, A. Roling, S. Schulz, M. Siemer, B. Skruszewicz, S. Tiggesbaeumker, J. Toleikis, S. Tschentscher, T. White, T. Woestmann, M. Zacharias, H. Redmer, R. TI Equilibration dynamics and conductivity of warm dense hydrogen SO PHYSICAL REVIEW E LA English DT Article ID X-RAY-SCATTERING; FREE-ELECTRON LASER; THOMSON SCATTERING; PLASMAS; APPROXIMATION; MATTER; WATER AB We investigate subpicosecond dynamics of warm dense hydrogen at the XUV free-electron laser facility (FLASH) at DESY (Hamburg). Ultrafast impulsive electron heating is initiated by a <= 300-fs short x-ray burst of 92-eV photon energy. A second pulse probes the sample via x-ray scattering at jitter-free variable time delay. We show that the initial molecular structure dissociates within (0.9 +/- 0.2) ps, allowing us to infer the energy transfer rate between electrons and ions. We evaluate Saha and Thomas-Fermi ionization models in radiation hydrodynamics simulations, predicting plasma parameters that are subsequently used to calculate the static structure factor. A conductivity model for partially ionized plasma is validated by two-temperature density-functional theory coupled to molecular dynamic simulations and agrees with the experimental data. Our results provide important insights and the needed experimental data on transport properties of dense plasmas. C1 [Zastrau, U.; Forster, E.; Hilbert, V.] Univ Jena, Inst Opt & Quantenelekt, D-07743 Jena, Germany. [Zastrau, U.; Fletcher, L. B.; Glenzer, S. H.; Goede, S.; Lee, H. J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Sperling, P.; Becker, A.; Bornath, T.; Bredow, R.; Fennel, T.; Goede, S.; Holst, B.; Skruszewicz, S.; Tiggesbaeumker, J.; Redmer, R.] Univ Rostock, Inst Phys, D-18051 Rostock, Germany. [Doeppner, T.; Fortmann, C.; Ma, T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Dziarzhytski, S.; Harmand, M.; Laarmann, T.; Przystawik, A.; Schulz, M.; Toleikis, S.] Deutsches Elektronen Synchrotron, D-22607 Hamburg, Germany. [Forster, E.] Helmholtz Inst Jena, D-07743 Jena, Germany. [Gregori, G.; Mithen, J. P.; Murphy, C. D.; White, T.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Laarmann, T.] Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany. [Mitzner, R.; Roling, S.; Siemer, B.; Woestmann, M.; Zacharias, H.] Univ Munster, Inst Phys, D-48149 Munster, Germany. [Nakatsutsumi, M.; Tschentscher, T.] European XFEL, D-22761 Hamburg, Germany. [Neumayer, P.] GSI Helmholtzzentrum Schwerionenforsch, Extreme Matter Inst, D-64291 Darmstadt, Germany. RP Zastrau, U (reprint author), Univ Jena, Inst Opt & Quantenelekt, Max Wien Pl 1, D-07743 Jena, Germany. EM ulf.zastrau@uni-jena.de RI Ma, Tammy/F-3133-2013; harmand, marion/Q-1248-2016; OI Ma, Tammy/0000-0002-6657-9604; harmand, marion/0000-0003-0713-5824; Zastrau, Ulf/0000-0002-3575-4449 FU UK EPSRC [EP/G007187/1]; French Agence Nationale de la Recherche [IRONFEL - ANR-12-PDOC-0011]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LDRD [11-ERD-050]; US DOE Office of Science, Fusion Energy Sciences [FWP 100182] FX The authors thank the FLASH machine and experiment team for their great support. The assistance of the Bundesministerium fur Bildung und Forschung within the priority research area FSP 301 FLASH, the Deutsche Forschungsgemeinschaft within the SFB 652, CUI, and the VolkswagenStiftung is acknowledged. This work received partial funding from UK EPSRC through Grant No. EP/G007187/1 and from the French Agence Nationale de la Recherche under Grant No. IRONFEL - ANR-12-PDOC-0011. This work was partially performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 and was supported by LDRD through Grant No. 11-ERD-050. It was partially supported by the US DOE Office of Science, Fusion Energy Sciences under Grant No. FWP 100182. Density-functional theory MD simulations were performed at the North-German Supercomputing Alliance (HLRN). Supporting simulations were performed at the John von Neumann-Institut for computing. NR 51 TC 5 Z9 5 U1 5 U2 36 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD JUL 18 PY 2014 VL 90 IS 1 AR 013104 DI 10.1103/PhysRevE.90.013104 PG 10 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AM0VJ UT WOS:000339565200009 PM 25122398 ER PT J AU Metodiev, EM Huang, KL Semertzidis, YK Morse, WM AF Metodiev, E. M. Huang, K. L. Semertzidis, Y. K. Morse, W. M. TI Fringe electric fields of flat and cylindrical deflectors in electrostatic charged particle storage rings SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB Analytic expressions for the potentials and fields of flat and cylindrical plates, including the fringe fields, are given. The present analysis extends and simplifies the current expression for the fields of flat plates and develops expressions for the fringe fields of cylindrical plates in terms of polar coordinates. The development of a FORTRAN program to output the field strength at a given location within the Proton Electric Dipole Moment (Proton EDM) ring is then described. Fourth-order Runge-Kutta integration is used to investigate the effect of fringe fields on particle and spin dynamics with precision tracking in the proposed Proton EDM experiment. C1 [Metodiev, E. M.; Huang, K. L.; Semertzidis, Y. K.; Morse, W. M.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Metodiev, E. M.; Huang, K. L.] Harvard Univ, Harvard Coll, Cambridge, MA 02138 USA. [Metodiev, E. M.; Semertzidis, Y. K.] Inst for Basic Sci Korea, Ctr Axion & Precis Phys Res, Taejon 305701, South Korea. [Metodiev, E. M.; Semertzidis, Y. K.] Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea. RP Metodiev, EM (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. FU Department of Energy and Brookhaven National Laboratory; High School Research Program and the Supplemental Undergraduate Research Program FX We would like to thank Ian D'Silva, Marina Fandaros, Brian Gilbert, Danny Huang, Arjun Mehrotra, Divij Sharma, and Andreas Stamatakis for their encouragement and enthusiasm, and Brian Levy for his mathematical discussions. We would also like to thank the Department of Energy and Brookhaven National Laboratory for their continued support of the High School Research Program and the Supplemental Undergraduate Research Program, without which this work would not have been possible. We especially thank the Storage Ring EDM Collaboration. NR 14 TC 2 Z9 2 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD JUL 18 PY 2014 VL 17 IS 7 AR 074002 DI 10.1103/PhysRevSTAB.17.074002 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AM0VL UT WOS:000339565400002 ER PT J AU Kong, T Budko, SL Jesche, A McArthur, J Kreyssig, A Goldman, AI Canfield, PC AF Kong, Tai Budko, Sergey L. Jesche, Anton McArthur, John Kreyssig, Andreas Goldman, Alan I. Canfield, Paul C. TI Magnetic and transport properties of i-R-Cd icosahedral quasicrystals (R=Y, Gd-Tm) SO PHYSICAL REVIEW B LA English DT Article ID EARTH RHODIUM BORIDES; SPIN-GLASS; SYMMETRY; SYSTEMS; ORDER; MODEL; FIELD; SUSCEPTIBILITY; TEMPERATURES; DIFFRACTION AB We present a detailed characterization of the recently discovered i-R-Cd (R = Y, Gd-Tm) binary quasicrystals by means of x-ray diffraction, temperature-dependent dc and ac magnetization, temperature-dependent resistance, and temperature-dependent specific heat measurements. Structurally, the broadening of x-ray diffraction peaks found for i-R-Cd is dominated by frozen-in phason strain, which is essentially independent of R. i-Y-Cd is weakly diamagnetic and manifests a temperature-independent susceptibility. i-Gd-Cd can be characterized as a spin glass below 4.6 K via dc magnetization cusp, a third order nonlinear magnetic susceptibility peak, a frequency-dependent freezing temperature, and a broad maximum in the specific heat. i-R-Cd (R = Ho-Tm) is similar to i-Gd-Cd in terms of features observed in thermodynamic measurements. i-Tb-Cd and i-Dy-Cd do not show a clear cusp in their zero-field-cooled dc magnetization data, but instead show a more rounded, broad local maximum. The resistivity for i-R-Cd is of order 300 mu Omega cm and weakly temperature dependent. The characteristic freezing temperatures for i-R-Cd (R = Gd-Tm) deviate from the de Gennes scaling, in a manner consistent with crystal electric field splitting induced local moment anisotropy. C1 [Kong, Tai; Budko, Sergey L.; Jesche, Anton; Kreyssig, Andreas; Goldman, Alan I.; Canfield, Paul C.] Iowa State Univ, Dept Phys & Astron, US DOE, Ames, IA 50011 USA. [Kong, Tai; Budko, Sergey L.; Jesche, Anton; Kreyssig, Andreas; Goldman, Alan I.; Canfield, Paul C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [McArthur, John] Quantum Design Japan, Toshima Ku, Tokyo 1710042, Japan. RP Canfield, PC (reprint author), Iowa State Univ, Dept Phys & Astron, US DOE, Ames, IA 50011 USA. EM canfield@ameslab.gov OI Kong, Tai/0000-0002-5064-3464 FU US Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; US DOE by Iowa State University [DE-AC02-07CH11358] FX We would like to thank A. Sapkota, M. Ramazanoglu, and D. Robinson for the helpwith the high-energy x-ray diffraction measurement. This work was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames Laboratory, which is operated for the US DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 55 TC 6 Z9 6 U1 2 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 18 PY 2014 VL 90 IS 1 AR 014424 DI 10.1103/PhysRevB.90.014424 PG 13 WC Physics, Condensed Matter SC Physics GA AL9FP UT WOS:000339446200002 ER PT J AU McGuire, MA Garlea, VO May, AF Sales, BC AF McGuire, Michael A. Garlea, V. Ovidiu May, Andrew F. Sales, Brian C. TI Competing magnetic phases and field-induced dynamics in DyRuAsO SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; ZRCUSIAS TYPE-STRUCTURE; LA-ND; EARTH; GD; SM; SUBSTITUTION; PNICTIDES; METAL AB Analysis of neutron diffraction, dc magnetization, ac magnetic susceptibility, heat capacity, and electrical resistivity for DyRuAsO in an applied magnetic field are presented at temperatures near and below those at which the structural distortion (T-S = 25 K) and subsequent magnetic ordering (T-N = 10.5 K) take place. Powder neutron diffraction is used to determine the antiferromagnetic order of Dy moments of magnitude 7.6(1)mu(B) in the absence of a magnetic field, and demonstrate the reorientation of the moments into a ferromagnetic configuration upon application of a magnetic field. Dy magnetism is identified as the driving force for the structural distortion. The magnetic structure of analogous TbRuAsO is also reported. Competition between the two magnetically ordered states in DyRuAsO is found to produce unusual physical properties in applied magnetic fields at low temperature. An additional phase transition near T* = 3 K is observed in heat capacity and other properties in fields greater than or similar to 3 T. Magnetic fields of this magnitude also induce spin-glass-like behavior including thermal and magnetic hysteresis, divergence of zero-field-cooled and field-cooled magnetization, frequency dependent anomalies in ac magnetic susceptibility, and slow relaxation of the magnetization. This is remarkable since DyRuAsO is a stoichiometric material with no disorder detected by neutron diffraction, and suggests analogies with spin-ice compounds and related materials with strong geometric frustration. C1 [McGuire, Michael A.; Garlea, V. Ovidiu; May, Andrew F.; Sales, Brian C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP McGuire, MA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Garlea, Vasile/A-4994-2016 OI McGuire, Michael/0000-0003-1762-9406; May, Andrew/0000-0003-0777-8539; Garlea, Vasile/0000-0002-5322-7271 FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Scientific User Facilities Division, Basic Energy Sciences, U.S. Department of Energy FX Research sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. Neutron scattering at the High Flux Isotope Reactor was supported by the Scientific User Facilities Division, Basic Energy Sciences, U.S. Department of Energy. The authors thank J.-Q. Yan for helpful discussions. NR 48 TC 2 Z9 2 U1 2 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 18 PY 2014 VL 90 IS 1 AR 014425 DI 10.1103/PhysRevB.90.014425 PG 11 WC Physics, Condensed Matter SC Physics GA AL9FP UT WOS:000339446200003 ER PT J AU Xu, CY Singh, J Zappala, JC Bailey, KG Dietrich, MR Greene, JP Jiang, W Lemke, ND Lu, ZT Mueller, P O'Connor, TP AF Xu, C. -Y. Singh, J. Zappala, J. C. Bailey, K. G. Dietrich, M. R. Greene, J. P. Jiang, W. Lemke, N. D. Lu, Z. -T. Mueller, P. O'Connor, T. P. TI Measurement of the Hyperfine Quenching Rate of the Clock Transition in Yb-171 SO PHYSICAL REVIEW LETTERS LA English DT Article ID SPONTANEOUS EMISSION; LIFETIMES; PHYSICS; GASES; ATOMS AB We report the first experimental determination of the hyperfine quenching rate of the 6s(2) S-1(0)(F = 1/2) - 6s6p P-3(0)(F = 1/2) transition in Yb-171 with nuclear spin I = 1/2. This rate determines the natural linewidth and the Rabi frequency of the clock transition of a Yb optical frequency standard. Our technique involves spectrally resolved fluorescence decay measurements of the lowest lying P-3(0,1) levels of neutral Yb atoms embedded in a solid Ne matrix. The solid Ne provides a simple way to trap a large number of atoms as well as an efficient mechanism for populating P-3(0). The decay rates in solid Ne are modified by medium effects including the index-of-refraction dependence. We find the P-3(0) hyperfine quenching rate to be (4.42 +/- 0.35) x 10(-2) s(-1) for free Yb-171, which agrees with recent ab initio calculations. C1 [Xu, C. -Y.; Singh, J.; Zappala, J. C.; Bailey, K. G.; Dietrich, M. R.; Greene, J. P.; Jiang, W.; Lemke, N. D.; Lu, Z. -T.; Mueller, P.; O'Connor, T. P.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Xu, C. -Y.; Zappala, J. C.; Lu, Z. -T.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Xu, C. -Y.; Zappala, J. C.; Lu, Z. -T.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Xu, CY (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Jiang, Wei/E-5582-2011; Singh, Jaideep/H-2346-2013; Lemke, Nathan/L-9059-2013; Mueller, Peter/E-4408-2011 OI Singh, Jaideep/0000-0002-4810-4824; Lemke, Nathan/0000-0003-4165-0715; Mueller, Peter/0000-0002-8544-8191 FU Argonne Director's postdoctoral fellowship; Department of Energy, Office of Nuclear Physics [DEAC02-06CH11357] FX We would like to thank T. Oka, S. T. Pratt, and R. W. Dunford for helpful discussions and the use of their equipment. This work is supported by Department of Energy, Office of Nuclear Physics, under Contract No. DEAC02-06CH11357. J. S. and N. D. L. are supported by Argonne Director's postdoctoral fellowship. NR 32 TC 1 Z9 1 U1 2 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 18 PY 2014 VL 113 IS 3 AR 033003 DI 10.1103/PhysRevLett.113.033003 PG 5 WC Physics, Multidisciplinary SC Physics GA AL9EL UT WOS:000339442500002 PM 25083643 ER PT J AU Peng, Q Ji, W Lian, J Chen, XJ Huang, HC Gao, F De, S AF Peng, Qing Ji, Wei Lian, Jie Chen, Xiao-Jia Huang, Hanchen Gao, Fei De, Suvranu TI Pressure effect on stabilities of self-Interstitials in HCP-Zirconium SO SCIENTIFIC REPORTS LA English DT Article ID EQUATION-OF-STATE; DENSITY-FUNCTIONAL THEORY; AB-INITIO; IRRADIATION GROWTH; UNIVERSAL EQUATION; PHASE-TRANSITION; ALPHA-ZIRCONIUM; DEFECT; ZR; SOLIDS AB The self-interstitial atoms (SIAs) mediate the evolution of micro-structures which is crucial in understanding the instabilities of hexagonal close packed (HCP) structures. Taking zirconium as a prototype, we investigate the pressure effect on the stabilities of SIAs using first-principles calculations based on density-functional theory. We found that the pressure greatly affects the stability of the SIAs. The SIAs in basal planes are more stable under pressure. The SIA configuration of the lowest formation energy changes from basal octahedral (BO) to octahedral (O) at a pressure of 21 GPa. The lowest formation enthalpy configuration switches from BO to S (split-dumbbell) at the pressure of 30 GPa. The formation volumes of SIAs decrease monotonically in response to an increase in pressure. Our results reveal that it is important to take pressure effects into account when predicting the micro-structural evolution of HCP structures. C1 [Peng, Qing; Ji, Wei; Lian, Jie; De, Suvranu] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. [Chen, Xiao-Jia] Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China. [Huang, Hanchen] Northeastern Univ, Dept Mech & Ind Engn, Boston, MA 02115 USA. [Gao, Fei] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Peng, Q (reprint author), Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. EM qpeng.org@gmail.com RI Huang, Hanchen/A-9323-2008; Peng, Qing/F-4246-2010 OI Peng, Qing/0000-0002-8281-8636 FU Defense Threat Reduction Agency (DTRA) [BRBAA08-C-2-0130, HDTRA1-13-1-0025]; U.S. Nuclear Regulatory Commission Faculty Development Program [NRC-38-08-950, NRC-38-09-954]; U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) [DE-NE0000325]; US Department of Energy, Office of Nuclear Energy (Nuclear Energy University Program) [DE-AC06-76RLO 1830] FX Q. P. and S. D. would like to acknowledge the generous financial support from the Defense Threat Reduction Agency (DTRA) Grant # BRBAA08-C-2-0130 and # HDTRA1-13-1-0025. W.J. thanks the U.S. Nuclear Regulatory Commission Faculty Development Program under contract # NRC-38-08-950 and # NRC-38-09-954, and U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) Grant # DE-NE0000325 for support of this work. F. Gao is grateful for the support by the US Department of Energy, Office of Nuclear Energy (Nuclear Energy University Program), under Contract DE-AC06-76RLO 1830. NR 49 TC 3 Z9 3 U1 3 U2 22 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 18 PY 2014 VL 4 AR 5735 DI 10.1038/srep05735 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL5EA UT WOS:000339155100002 PM 25034791 ER PT J AU Williams, RJ Howe, A Hofmockel, KS AF Williams, Ryan J. Howe, Adina Hofmockel, Kirsten S. TI Demonstrating microbial co-occurrence pattern analyses within and between ecosystems SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE co-occurrence; microbial communities; network theory; community assembly; MGRAST ID COMMUNITY STRUCTURE; ASSOCIATION NETWORKS; ECOLOGICAL COHERENCE; BACTERIAL; DYNAMICS; SOIL; COEXISTENCE; ARCHAEAL; GENES; NICHE AB Co-occurrence patterns are used in ecology to explore interactions between organisms and environmental effects on coexistence within biological communities. Analysis of co-occurrence patterns among microbial communities has ranged from simple pairwise comparisons between all community members to direct hypothesis testing between focal species. However, co-occurrence patterns are rarely studied across multiple ecosystems or multiple scales of biological organization within the same study. Here we outline an approach to produce co-occurrence analyses that are focused at three different scales: co-occurrence patterns between ecosystems at the community scale, modules of co-occurring microorganisms within communities, and co-occurring pairs within modules that are nested within microbial communities. To demonstrate our co-occurrence analysis approach, we gathered publicly available 16S rRNA amplicon datasets to compare and contrast microbial co-occurrence at different taxonomic levels across different ecosystems. We found differences in community composition and co-occurrence that reflect environmental filtering at the community scale and consistent pairwise occurrences that may be used to infer ecological traits about poorly understood microbial taxa. However, we also found that conclusions derived from applying network statistics to microbial relationships can vary depending on the taxonomic level chosen and criteria used to build co-occurrence networks. We present our statistical analysis and code for public use in analysis of co-occurrence patterns across microbial communities. C1 [Williams, Ryan J.; Hofmockel, Kirsten S.] Iowa State Univ, Dept Ecol Evolut & Organismal Biol, Ames, IA 50011 USA. [Howe, Adina] Argonne Natl Lab, Argonne, IL 60439 USA. [Howe, Adina] Michigan State Univ, E Lansing, MI 48824 USA. RP Hofmockel, KS (reprint author), Iowa State Univ, Dept Ecol Evolut & Organismal Biol, 251 Bessey Hall, Ames, IA 50011 USA. EM khof@iastate.edu NR 58 TC 23 Z9 24 U1 22 U2 118 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 18 PY 2014 VL 5 AR 358 DI 10.3389/fmicb.2014.00358 PG 10 WC Microbiology SC Microbiology GA AL4RM UT WOS:000339120300001 PM 25101065 ER PT J AU Ravel, J Blaser, MJ Braun, J Brown, E Bushman, FD Chang, EB Davies, J Dewey, KG Dinan, T Dominguez-Bello, M Erdman, SE Finlay, BB Garrett, WS Huffnagle, GB Huttenhower, C Jansson, J Jeffery, IB Jobin, C Khoruts, A Kong, HH Lampe, JW Ley, RE Littman, DR Mazmanian, SK Mills, DA Neish, AS Petrof, E Relman, DA Rhodes, R Turnbaugh, PJ Young, VB Knight, R White, O AF Ravel, Jacques Blaser, Martin J. Braun, Jonathan Brown, Eric Bushman, Frederic D. Chang, Eugene B. Davies, Julian Dewey, Kathryn G. Dinan, Timothy Dominguez-Bello, Maria Erdman, Susan E. Finlay, B. Brett Garrett, Wendy S. Huffnagle, Gary B. Huttenhower, Curtis Jansson, Janet Jeffery, Ian B. Jobin, Christian Khoruts, Alexander Kong, Heidi H. Lampe, Johanna W. Ley, Ruth E. Littman, Dan R. Mazmanian, Sarkis K. Mills, David A. Neish, Andrew S. Petrof, Elaine Relman, David A. Rhodes, Rosamond Turnbaugh, Peter J. Young, Vincent B. Knight, Rob White, Owen TI Human microbiome science: vision for the future, Bethesda, MD, July 24 to 26, 2013 SO MICROBIOME LA English DT Article ID HUMAN GUT VIROME; DISEASE; INFLAMMATION; METABOLISM; AMERINDIANS; INSIGHTS; PROJECT; NUMBER; OMICS; FLORA AB A conference entitled 'Human microbiome science: Vision for the future' was organized in Bethesda, MD from July 24 to 26, 2013. The event brought together experts in the field of human microbiome research and aimed at providing a comprehensive overview of the state of microbiome research, but more importantly to identify and discuss gaps, challenges and opportunities in this nascent field. This report summarizes the presentations but also describes what is needed for human microbiome research to move forward and deliver medical translational applications. C1 [Ravel, Jacques] Univ Maryland, Sch Med, Dept Microbiol & Immunol, Inst Genome Sci, Baltimore, MD 21201 USA. [Blaser, Martin J.; Dominguez-Bello, Maria] NYU, Langone Med Ctr, Dept Microbiol, Human Microbiome Program, New York, NY 10016 USA. [Braun, Jonathan] Univ Calif Los Angeles, David Geffen Sch Med, Dept Pathol & Lab Med, Los Angeles, CA 90095 USA. [Brown, Eric] Univ British Columbia, Michael Smith Labs, Vancouver, BC V6T 1Z4, Canada. [Brown, Eric] Univ British Columbia, Dept Microbiol & Immunol, Vancouver, BC V6T 1Z4, Canada. [Bushman, Frederic D.; Finlay, B. Brett] Univ Penn, Perelman Sch Med, Dept Microbiol, Philadelphia, PA 19104 USA. [Chang, Eugene B.] Univ Chicago, Knapp Ctr Biomed Discovery, Chicago, IL 60637 USA. [Davies, Julian] Univ British Columbia, Dept Microbiol & Immunol, Life Sci Ctr, Vancouver, BC V6T 1Z3, Canada. [Dewey, Kathryn G.] Univ Calif Davis, Dept Nutr, Davis, CA 95616 USA. [Dinan, Timothy] Cork Univ Hosp, GF Unity, Dept Psychiat, Cork, Wilton, Ireland. [Erdman, Susan E.] MIT, Div Comparat Med, Cambridge, MA 02139 USA. [Garrett, Wendy S.] Harvard Univ, Sch Publ Hlth, Dept Immunol & Infect Dis, Boston, MA 02115 USA. [Huffnagle, Gary B.; Young, Vincent B.] Univ Michigan, Sch Med, Dept Internal Med Infect Dis, Immunol, Ann Arbor, MI 48109 USA. [Huffnagle, Gary B.; Young, Vincent B.] Univ Michigan, Sch Med, Dept Microbiol, Immunol, Ann Arbor, MI 48109 USA. [Huttenhower, Curtis] Harvard Univ, Sch Publ Hlth, Dept Biostat, Boston, MA 02115 USA. [Jansson, Janet] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Jeffery, Ian B.] Univ Coll, Alimentary Pharmabiot Ctr, Dept Microbiol, Cork, Ireland. [Jobin, Christian] Univ Florida, Coll Med, Dept Infect Dis & Pathol, Gainesville, FL 32611 USA. [Jobin, Christian] Univ Florida, Dept Med, Div Gastroenterol Hepatol & Nutr, Gainesville, FL 32611 USA. [Khoruts, Alexander] Ctr Immunol, Dept Med, Minneapolis, MN 55416 USA. [Kong, Heidi H.] NCI, Ctr Canc Res, NIH, Dermatol Branch, Bethesda, MD 20814 USA. [Lampe, Johanna W.] Fred Hutchinson Canc Res Ctr, Div Publ Hlth Sci, Canc Prevent Program, Seattle, WA 98109 USA. [Ley, Ruth E.] Cornell Univ, Dept Microbiol, Ithaca, NY 14853 USA. [Littman, Dan R.] Skirball Inst, Dept Pathol, Mol Pathogenesis, New York, NY 10016 USA. [Littman, Dan R.] Skirball Inst, Dept Microbiol, Mol Pathogenesis, New York, NY 10016 USA. [Mazmanian, Sarkis K.] CALTECH, Div Biol & Biol Engn, Pasadena, CA 91125 USA. [Mills, David A.] Univ Calif Davis, Dept Food Sci & Technol, Davis, CA 95616 USA. [Mills, David A.] Univ Calif Davis, Dept Viticulture & Enol, Davis, CA 95616 USA. [Neish, Andrew S.] Emory Univ, Sch Med, Dept Pathol, Atlanta, GA 30322 USA. [Petrof, Elaine] Queens Univ, Gastrointestinal Dis Res Unit, Dept Med Infect Dis, Kingston, ON K7L 2V7, Canada. [Petrof, Elaine] Kingston Gen Hosp, Kingston, ON K7L 2V7, Canada. [Relman, David A.] Stanford Univ, Dept Microbiol & Immunol, Stanford, CA 94305 USA. [Relman, David A.] Stanford Univ, Dept Med, Stanford, CA 94305 USA. [Rhodes, Rosamond] Icahn Sch Med Mt Sinai, Dept Med Educ, New York, NY 10029 USA. [Turnbaugh, Peter J.] Harvard Univ, FAS Ctr Syst Biol, Cambridge, MA 02138 USA. [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Dept Chem & Biochem, Boulder, CO 80309 USA. [White, Owen] Univ Maryland, Sch Med, Dept Epidemiol & Publ Hlth, Inst Genome Sci, Baltimore, MD 21201 USA. RP Ravel, J (reprint author), Univ Maryland, Sch Med, Dept Microbiol & Immunol, Inst Genome Sci, 801 W Baltimore St, Baltimore, MD 21201 USA. EM jravel@som.umaryland.edu RI Ley, Ruth/M-8542-2014; Knight, Rob/D-1299-2010; OI Ley, Ruth/0000-0002-9087-1672; Braun, Jonathan/0000-0003-1646-2974; Turnbaugh, Peter/0000-0002-0888-2875; Ravel, Jacques/0000-0002-0851-2233; Jeffery, Ian/0000-0001-9183-7292 FU National Human Genomics Research Institute, National Institutes of Health [U01HG004866]; Roche; Qiagen; Illumina; Life Technologies; MoBio; Metabolon; BioMed Central journal Microbiome FX The authors would like to thank Lita Proctor (NHGRI/NIH), for conceiving this idea to evaluate the status of microbiome research across the NIH, as well as Christopher Wellington, Nicholas Digiacomo, Sue Dilli, and Michele Giglio for their invaluable contributions to the organization of the scientific program and the logistics of the meeting. The conference was supported in part by grant U01HG004866 from the National Human Genomics Research Institute, National Institutes of Health. The conference organizers are grateful to Roche, Qiagen, Illumina, Life Technologies, MoBio, Metabolon, and the BioMed Central journal Microbiome for their financial support of the meeting. NR 53 TC 7 Z9 7 U1 5 U2 10 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 2049-2618 J9 MICROBIOME JI Microbiome PD JUL 18 PY 2014 VL 2 AR 16 DI 10.1186/2049-2618-2-16 PG 11 WC Microbiology SC Microbiology GA CU0FO UT WOS:000363191700001 ER PT J AU Hovde, BT Starkenburg, SR Hunsperger, HM Mercer, LD Deodato, CR Jha, RK Chertkov, O Monnat, RJ Cattolico, RA AF Hovde, Blake T. Starkenburg, Shawn R. Hunsperger, Heather M. Mercer, Laina D. Deodato, Chloe R. Jha, Ramesh K. Chertkov, Olga Monnat, Raymond J., Jr. Cattolico, Rose Ann TI The mitochondrial and chloroplast genomes of the haptophyte Chrysochromulina tobin contain unique repeat structures and gene profiles SO BMC GENOMICS LA English DT Article DE Haptophytes; Chloroplast genome; Mitochondrial genome; Repeat structure; Repeat function; Chrysochromulina ID NITROGEN METABOLITE REPRESSION; PROTEIN-STRUCTURE PREDICTION; PLASTID GENOMES; MESSENGER-RNA; INVERTED REPEAT; DNA-SEQUENCES; CHLAMYDOMONAS-REINHARDTII; CHROMALVEOLATE HYPOTHESIS; SECONDARY ENDOSYMBIOSIS; PHYLOGENOMIC EVIDENCE AB Background: Haptophytes are widely and abundantly distributed in both marine and freshwater ecosystems. Few genomic analyses of representatives within this taxon have been reported, despite their early evolutionary origins and their prominent role in global carbon fixation. Results: The complete mitochondrial and chloroplast genome sequences of the haptophyte Chrysochromulina tobin (Prymnesiales) provide insight into the architecture and gene content of haptophyte organellar genomes. The mitochondrial genome (similar to 34 kb) encodes 21 protein coding genes and contains a complex, 9 kb tandem repeat region. Similar to other haptophytes and rhodophytes, but not cryptophytes or stramenopiles, the mitochondrial genome has lost the nad7, nad9 and nad11 genes. The similar to 105 kb chloroplast genome encodes 112 protein coding genes, including ycf39 which has strong structural homology to NADP-binding nitrate transcriptional regulators; a divergent 'CheY-like' two-component response regulator (ycf55) and Tic/Toc (ycf60 and ycf80) membrane transporters. Notably, a zinc finger domain has been identified in the rpl36 ribosomal protein gene of all chloroplasts sequenced to date with the exception of haptophytes and cryptophytes - algae that have gained (via lateral gene transfer) an alternative rpl36 lacking the zinc finger motif. The two C. tobin chloroplast ribosomal RNA operon spacer regions differ in tRNA content. Additionally, each ribosomal operon contains multiple single nucleotide polymorphisms (SNPs) - a pattern observed in rhodophytes and cryptophytes, but few stramenopiles. Analysis of small (<200 bp) chloroplast encoded tandem and inverted repeats in C. tobin and 78 other algal chloroplast genomes show that repeat type, size and location are correlated with gene identity and taxonomic clade. Conclusion: The Chrysochromulina tobin organellar genomes provide new insight into organellar function and evolution. These are the first organellar genomes to be determined for the prymnesiales, a taxon that is present in both oceanic and freshwater systems and represents major primary photosynthetic producers and contributors to global ecosystem stability. C1 [Hovde, Blake T.; Monnat, Raymond J., Jr.] Univ Washington, Dept Genome Sci, Seattle, WA 98195 USA. [Starkenburg, Shawn R.; Jha, Ramesh K.; Chertkov, Olga] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Hunsperger, Heather M.; Deodato, Chloe R.; Cattolico, Rose Ann] Univ Washington, Dept Biol, Seattle, WA 98195 USA. [Mercer, Laina D.] Univ Washington, Dept Stat, Seattle, WA 98195 USA. [Monnat, Raymond J., Jr.] Univ Washington, Dept Pathol, Seattle, WA 98195 USA. RP Cattolico, RA (reprint author), Univ Washington, Dept Biol, Seattle, WA 98195 USA. EM racat@uw.edu OI Jha, Ramesh/0000-0001-5904-3441 FU Interdisciplinary Training in Genomic Sciences NHGRI [T32 HG00035]; NSF [DGE-0718124, DGE-1256082]; DTRA [CBCALL12-LS6-1-0622]; WSYN_BIO; NIH [1RL1CA133831]; US Department of Energy [DE-EE0003046]; Sea Grant [NA07OAR-4170007] FX BTH was supported by Interdisciplinary Training in Genomic Sciences NHGRI T32 HG00035. HMH was supported by the NSF Graduate Research Fellowship Program DGE-0718124 and DGE-1256082. RKJ was supported by DTRA grant CBCALL12-LS6-1-0622 and Los Alamos computing resource grant WSYN_BIO. RJM Jr was supported by NIH Award 1RL1CA133831. RAC, CRD, and SRS were supported by the US Department of Energy under contract DE-EE0003046 to the National Alliance for Advanced Biofuels and Bioproducts. RAC was also supported by Sea Grant NA07OAR-4170007. NR 109 TC 5 Z9 5 U1 2 U2 19 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD JUL 17 PY 2014 VL 15 AR 604 DI 10.1186/1471-2164-15-604 PG 23 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA AO4QF UT WOS:000341324900001 PM 25034814 ER PT J AU Goodrich, JK Di Rienzi, SC Poole, AC Koren, O Walters, WA Caporaso, JG Knight, R Ley, RE AF Goodrich, Julia K. Di Rienzi, Sara C. Poole, Angela C. Koren, Omry Walters, William A. Caporaso, J. Gregory Knight, Rob Ley, Ruth E. TI Conducting a Microbiome Study SO CELL LA English DT Article ID HUMAN GUT MICROBIOTA; MULTIPLE DISPLACEMENT AMPLIFICATION; HIGH-THROUGHPUT; INTESTINAL MICROBIOTA; BACTERIAL; MICE; HOST; DIVERSITY; SEQUENCES; CLASSIFICATION AB Human microbiome research is an actively developing area of inquiry, with ramifications for our lifestyles, our interactions with microbes, and how we treat disease. Advances depend on carefully executed, controlled, and reproducible studies. Here, we provide a Primer for researchers from diverse disciplines interested in conducting microbiome research. We discuss factors to be considered in the design, execution, and data analysis of microbiome studies. These recommendations should help researchers to enter and contribute to this rapidly developing field. C1 [Goodrich, Julia K.; Di Rienzi, Sara C.; Poole, Angela C.; Koren, Omry; Ley, Ruth E.] Cornell Univ, Dept Mol Biol & Genet, Ithaca, NY 14853 USA. [Goodrich, Julia K.; Di Rienzi, Sara C.; Poole, Angela C.; Koren, Omry; Ley, Ruth E.] Cornell Univ, Dept Microbiol, Ithaca, NY 14853 USA. [Walters, William A.] Univ Colorado, Dept Mol Cellular & Dev Biol, Boulder, CO 80309 USA. [Walters, William A.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. [Caporaso, J. Gregory] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Knight, Rob] Univ Colorado, BioFrontiers Inst, Boulder, CO 80309 USA. [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA. RP Ley, RE (reprint author), Cornell Univ, Dept Mol Biol & Genet, Ithaca, NY 14853 USA. EM rel222@cornell.edu RI Ley, Ruth/M-8542-2014; Knight, Rob/D-1299-2010; OI Ley, Ruth/0000-0002-9087-1672; Koren, Omry/0000-0002-7738-1337 FU NHGRI NIH HHS [R01 HG004872]; NIDDK NIH HHS [P01 DK078669]; NIGMS NIH HHS [T32 GM008759]; NIMHD NIH HHS [R01 MD011389] NR 98 TC 78 Z9 80 U1 12 U2 116 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 EI 1097-4172 J9 CELL JI Cell PD JUL 17 PY 2014 VL 158 IS 2 BP 250 EP 262 DI 10.1016/j.cell.2014.06.037 PG 13 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA AN9QU UT WOS:000340943600007 PM 25036628 ER PT J AU Cimermancic, P Medema, MH Claesen, J Kurita, K Brown, LCW Mavrommatis, K Pati, A Godfrey, PA Koehrsen, M Clardy, J Birren, BW Takano, E Sali, A Linington, RG Fischbach, MA AF Cimermancic, Peter Medema, Marnix H. Claesen, Jan Kurita, Kenji Brown, Laura C. Wieland Mavrommatis, Konstantinos Pati, Amrita Godfrey, Paul A. Koehrsen, Michael Clardy, Jon Birren, Bruce W. Takano, Eriko Sali, Andrej Linington, Roger G. Fischbach, Michael A. TI Insights into Secondary Metabolism from a Global Analysis of Prokaryotic Biosynthetic Gene Clusters SO CELL LA English DT Article ID POLYMERASE EXTENSION CLONING; NATURAL-PRODUCT DISCOVERY; GENOMICS-DRIVEN DISCOVERY; IN-VITRO RECONSTITUTION; STAPHYLOCOCCUS-AUREUS; ESCHERICHIA-COLI; POLYKETIDE; SEQUENCE; COMPLEX; IDENTIFICATION AB Although biosynthetic gene clusters (BGCs) have been discovered for hundreds of bacterial metabolites, our knowledge of their diversity remains limited. Here, we used a novel algorithm to systematically identify BGCs in the extensive extant microbial sequencing data. Network analysis of the predicted BGCs revealed large gene cluster families, the vast majority uncharacterized. We experimentally characterized the most prominent family, consisting of two subfamilies of hundreds of BGCs distributed throughout the Proteobacteria; their products are aryl polyenes, lipids with an aryl head group conjugated to a polyene tail. We identified a distant relationship to a third subfamily of aryl polyene BGCs, and together the three subfamilies represent the largest known family of biosynthetic gene clusters, with more than 1,000 members. Although these clusters are widely divergent in sequence, their small molecule products are remarkably conserved, indicating for the first time the important roles these compounds play in Gram-negative cell biology. C1 [Cimermancic, Peter; Claesen, Jan; Sali, Andrej; Fischbach, Michael A.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94158 USA. [Cimermancic, Peter; Claesen, Jan; Sali, Andrej; Fischbach, Michael A.] Univ Calif San Francisco, Calif Inst Quantitat Biosci, San Francisco, CA 94158 USA. [Medema, Marnix H.; Takano, Eriko] Univ Groningen, Groningen Biomol Sci & Biotechnol Inst, Dept Microbial Physiol, NL-9747 AG Groningen, Netherlands. [Medema, Marnix H.] Univ Groningen, Groningen Bioinformat Ctr, Groningen Biomol Sci & Biotechnol Inst, NL-9747 AG Groningen, Netherlands. [Kurita, Kenji; Linington, Roger G.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. [Brown, Laura C. Wieland] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Mavrommatis, Konstantinos; Pati, Amrita] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Godfrey, Paul A.; Koehrsen, Michael; Birren, Bruce W.] Broad Inst, Cambridge, MA 02142 USA. [Sali, Andrej] Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, Boston, MA 02115 USA. RP Fischbach, MA (reprint author), Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94158 USA. EM fischbach@fischbachgroup.org OI Linington, Roger/0000-0003-1818-4971; Claesen, Jan/0000-0002-0755-7974; Takano, Eriko/0000-0002-6791-3256; Medema, Marnix/0000-0002-2191-2821 FU HHMI Predoctoral Fellowship; Boehringer Ingelheim Fonds; GenBiotics programme of the Dutch Technology Foundation STW [10463]; NIH [TW006634, OD007290, AI101018, AI101722, GM081879]; James and Eleanor Delfino Charitable Trust; Medical Research Program Grant from the W.M. Keck Foundation; David and Lucile Packard Foundation; DARPA [HR0011-12-C-0067]; National Institute of Allergy and Infectious Diseases, NIH, Department of Health and Human Services [HHSN272200900018C] FX We thank members of the Fischbach lab for helpful discussions and Rainer Breitling and an anonymous reviewer for constructive feedback on the manuscript. We thank Edward Ruby (University of Wisconsin) for providing us with V. fischeri ES114, Didier Mazel (Institut Pasteur) for plasmid pSW8197, and Mervyn Bibb (John Innes Centre) for plasmids pIJ773, pIJ790 and pIJ10257. This work was supported by an HHMI Predoctoral Fellowship (P.C.), a Boehringer Ingelheim Fonds travel grant (M.H.M.), Grant 10463 from the GenBiotics programme of the Dutch Technology Foundation STW to ET (M.H.M.), NIH grant TW006634 (R.G.L.), the James and Eleanor Delfino Charitable Trust (K.K.), a Medical Research Program Grant from the W.M. Keck Foundation (M.A.F.), a Fellowship for Science and Engineering from the David and Lucile Packard Foundation (M.A.F.), DARPA award HR0011-12-C-0067 (M.A.F.), and NIH grants OD007290, AI101018, AI101722, and GM081879 (M.A.F.). This project has been funded in part with federal funds from the National Institute of Allergy and Infectious Diseases, NIH, Department of Health and Human Services, under Contract No.: HHSN272200900018C. M.A.F. is on the scientific advisory board of Warp Drive Bio. NR 68 TC 112 Z9 113 U1 9 U2 78 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 EI 1097-4172 J9 CELL JI Cell PD JUL 17 PY 2014 VL 158 IS 2 BP 412 EP 421 DI 10.1016/j.cell.2014.06.034 PG 10 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA AN9QU UT WOS:000340943600019 PM 25036635 ER PT J AU Hurt, RA Robeson, MS Shakya, M Moberly, JG Vishnivetskaya, TA Gu, BH Elias, DA AF Hurt, Richard A., Jr. Robeson, Michael S., II Shakya, Migun Moberly, James G. Vishnivetskaya, Tatiana A. Gu, Baohua Elias, Dwayne A. TI Improved Yield of High Molecular Weight DNA Coincides with Increased Microbial Diversity Access from Iron Oxide Cemented Sub-Surface Clay Environments SO PLOS ONE LA English DT Article ID MEDIATED FENTON REACTIONS; ORGANIC-MATTER; COMPETITIVE ADSORPTION; MINERAL PARTICLES; HUMIC ACIDS; SOILS; RNA; EXTRACTION; RECOVERY; COMMUNITIES AB Despite over three decades of progress, extraction of high molecular weight (HMW) DNA from high clay soils or iron oxide cemented clay has remained challenging. HMW DNA is desirable for next generation sequencing as it yields the most comprehensive coverage. Several DNA extraction procedures were compared from samples that exhibit strong nucleic acid adsorption. pH manipulation or use of alternative ion solutions offered no improvement in nucleic acid recovery. Lysis by liquid N-2 grinding in concentrated guanidine followed by concentrated sodium phosphate extraction supported HMW DNA recovery from clays high in iron oxides. DNA recovered using 1 M sodium phosphate buffer (PB) as a competitive desorptive wash was 15.22 +/- 2.33 mu g DNA/g clay, with most DNA consisting of >20 Kb fragments, compared to 2.46 +/- 0.25 mu g DNA/g clay with the Powerlyzer system (MoBio). Increasing PB concentration in the lysis reagent coincided with increasing DNA fragment length during initial extraction. Rarefaction plots of 16S rRNA (V1-V3 region) pyrosequencing from A-horizon and clay soils showed an similar to 80% and similar to 400% larger accessed diversity compared to the Powerlyzer soil DNA system, respectively. The observed diversity from the Firmicutes showed the strongest increase with >3-fold more operational taxonomic units (OTU) recovered. C1 [Hurt, Richard A., Jr.; Robeson, Michael S., II; Moberly, James G.; Elias, Dwayne A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37830 USA. [Shakya, Migun; Vishnivetskaya, Tatiana A.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Elias, DA (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37830 USA. EM eliasda@ornl.gov RI Gu, Baohua/B-9511-2012; OI Gu, Baohua/0000-0002-7299-2956; Moberly, James/0000-0003-0950-0952; Vishnivetskaya, Tatiana/0000-0002-0660-023X; Robeson, Michael/0000-0001-7119-6301 FU U.S. Department of Energy, Office of Science, Biological and Environmental Research [DE-AC05-00OR22725, DE-AC02-05CH11231]; U.S. Department of Energy [DEAC05-00OR22725] FX This work was conducted by the Oak Ridge National Laboratory Mercury Subsurface Science Focus Area and ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies (http://enigma.lbl.gov), a Scientific Focus Area Program at Lawrence Berkeley National Laboratory. Support was provided by the U.S. Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC05-00OR22725 for ORNL and DE-AC02-05CH11231 for LBNL. ORNL is managed by UT-Battelle LLC for the U.S. Department of Energy under contract DEAC05-00OR22725. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 55 TC 3 Z9 4 U1 3 U2 26 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 17 PY 2014 VL 9 IS 7 AR e102826 DI 10.1371/journal.pone.0102826 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL8VR UT WOS:000339418300099 PM 25033199 ER PT J AU Achtyl, JL Vlassiouk, IV Surwade, SP Fulvio, PF Dai, S Geiger, FM AF Achtyl, Jennifer L. Vlassiouk, Ivan V. Surwade, Sumedh P. Fulvio, Pasquale F. Dai, Sheng Geiger, Franz M. TI Interaction of Magnesium Ions with Pristine Single-Layer and Defected Graphene/Water Interfaces Studied by Second Harmonic Generation SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID FUSED SILICA/WATER INTERFACES; DOWNSTREAM PLASMA TREATMENTS; 2ND HARMONIC-GENERATION; RAMAN-SPECTROSCOPY; WATER-INTERFACE; AQUEOUS/SOLID INTERFACES; URANYL ADSORPTION; METAL IONS; OLIGONUCLEOTIDES; SPECIATION AB This work reports thermodynamic and electrostatic parameters for fused silica/water interfaces containing cm(2)-sized graphene ranging from a single layer of pristine graphene to defected graphene. Second harmonic generation (SHG) measurements carried out at pH 7 indicate that the surface charge density of the fused silica/water interface containing the defected graphene (-0.009(3) to -0.010(3) C/m(2)) is between that of defect-free single layer graphene (-0.0049(8) C/m(2)) and bare fused silica (-0.013(6) C/m(2)). The interfacial free energy of the fused silica/water interface calculated from the Lippmann equation is reduced by a factor of 7 in the presence of single-layer pristine graphene, while defected graphene reduces it only by a factor of at most 2. Subsequent SHG adsorption isotherm studies probing the Mg2+ adsorption at the fused silica/water interface result in fully reversible metal ion interactions and observed binding constants, K-ads, of 4(1) - 5(1) x 10(3) M-1 for pristine graphene and 3(1) - 4(1) x 10(3) M-1 for defected graphene, corresponding to adsorption free energies, Delta G(ads), referenced to the 55.5 molarity of water, of -30(1) to -31.1(7) kJ/mol for both interfaces, comparable to Mg2+ adsorption at the bare fused silica/water interface. Maximum Mg2+ ion densities are obtained from Gouy-Chapman model fits to the Langmuir adsorption isotherms and found to range from 1.1(5) - 1.5(4) X 10(12) ions adsorbed per cm(2) for pristine graphene and 2(1) - 3.1(5) x 10(12) ions adsorbed per cm(2) for defected graphene, slightly smaller than those of for Mg2+ adsorption at the bare fused silica/water interface ((2-4) x 10(12) ions adsorbed per cm(2)), assuming the magnesium ions are bound as divalent species. We conclude that the presence of defects in the graphene sheet, which we estimate here to be around 1.3 X 10(11) cm(2), imparts only subtle changes in the thermodynamic and electrostatic parameters quantified here. C1 [Achtyl, Jennifer L.; Geiger, Franz M.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Vlassiouk, Ivan V.] Oak Ridge Natl Lab, Measurement Sci & Syst Engn Div, Oak Ridge, TN 37931 USA. [Surwade, Sumedh P.; Fulvio, Pasquale F.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Geiger, FM (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM geigerf@chem.northwestern.edu RI Fulvio, Pasquale/B-2968-2014; Vlassiouk, Ivan/F-9587-2010; Dai, Sheng/K-8411-2015 OI Fulvio, Pasquale/0000-0001-7580-727X; Vlassiouk, Ivan/0000-0002-5494-0386; Dai, Sheng/0000-0002-8046-3931 FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; W. M. Keck Foundation; Northwestern's Institute for Nanotechnology's NSF [EEC-0118025/003]; National Science Foundation; State of Illinois; Northwestern University FX This work was supported by the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. This work made use of the Keck-II facility (NUANCE Center - Northwestern University), which has received support from the W. M. Keck Foundation, Northwestern's Institute for Nanotechnology's NSF-sponsored Nanoscale Science & Engineering Center (EEC-0118025/003), both programs of the National Science Foundation, the State of Illinois, and Northwestern University. NR 111 TC 5 Z9 5 U1 3 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 7739 EP 7749 DI 10.1021/jp410298e PG 11 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800007 PM 24517192 ER PT J AU Annapureddy, HVR Dang, LX AF Annapureddy, Harsha V. R. Dang, Liem X. TI Water Exchange Rates and Molecular Mechanism around Aqueous Halide Ions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID HYDRATION SHELL; POLAR-SOLVENT; NA+-CL; DYNAMICS; PAIR; ASSOCIATION; SIMULATIONS; INTERFACE; MOBILITY; LIQUID AB Molecular dynamics simulations were performed to systematically study the water-exchange mechanism around aqueous chloride, bromide, and iodide ions. Transition state theory, Grote-Hynes theory, and the reactive flux method were employed to compute water exchange rates. We computed the pressure dependence of rate constants and the corresponding activation volumes to investigate the mechanism of the solvent exchange event. The activation volumes obtained using the transition state theory rate constants are negative for all the three anions, thus indicating an associative mechanism. Contrary to the transition state theory results, activation volumes obtained using rate constants from Grote-Hynes theory and the reactive flux method are positive, thus indicating a dissociative mechanism. C1 [Annapureddy, Harsha V. R.; Dang, Liem X.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM liem.dang@pnnl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the U.S. Department of Energy (DOE) FX The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the U.S. Department of Energy (DOE) funded this work. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES. NR 30 TC 7 Z9 7 U1 3 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 7886 EP 7891 DI 10.1021/jp500402j PG 6 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800023 PM 24601598 ER PT J AU Smith, RS Li, ZJ Chen, L Dohnalek, Z Kay, BD AF Smith, R. Scott Li, Zhenjun Chen, Long Dohnalek, Zdenek Kay, Bruce D. TI Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on TiO2(110) SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID N-ALKANES; WATER; SURFACES; PHYSISORPTION; DYNAMICS; MGO(100) AB The adsorption, desorption, and displacement kinetics of H2O and CO2 on TiO2(110) are investigated using temperature programmed desorption (TPD) and molecular beam techniques. The TPD spectra for both H2O and CO2 have well-resolved peaks corresponding to desorption from bridge-bonded oxygen (Oh), Ti-5c, and defect sites in order of increasing peak temperature. Analysis of the saturated surface spectrum for both species reveals that the corresponding adsorption energies on all sites are greater for H2O than for CO2. Sequential dosing of H2O and CO2 reveals that, independent of the dose order, H2O molecules will displace CO2 in order to occupy the highest energy binding sites available. Isothermal experiments show that the displacement of CO2 by H2O occurs between 75 and 80 K. C1 [Smith, R. Scott] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Smith, RS (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM Scott.Smith@PNNL.gov; Bruce.Kay@PNNL.gov RI Smith, Scott/G-2310-2015 OI Smith, Scott/0000-0002-7145-1963 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; DOE's Office of Biological and Environmental Research at Pacific Northwest National Laboratory; DOE [DE-AC05-76RL01830] FX This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The research was performed using EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle operated for the DOE under Contract No. DE-AC05-76RL01830. NR 20 TC 15 Z9 15 U1 2 U2 61 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 8054 EP 8061 DI 10.1021/jp501131v PG 8 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800042 PM 24645910 ER PT J AU Roslyak, O Cherqui, C Dunlap, DH Piryatinski, A AF Roslyak, Oleksiy Cherqui, Charles Dunlap, David H. Piryatinski, Andrei TI Effect of Localized Surface-Plasmon Mode on Exciton Transport and Radiation Emission in Carbon Nanotubes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID QUANTUM-DOT; SINGLE; NANOSTRUCTURES; NANOWIRES; MOLECULES AB We report on a general theoretical approach to study exciton transport and emission in a single-walled carbon nanotube (SWNT) in the presence of a localized surface-plasmon (SP) mode within a metal nanoparticle interacting via near-field coupling. We derive a set of quantum mechanical equations of motion and approximate rate equations that account for the exciton, SP, and the environmental degrees of freedom. The material equations are complemented by an expression for the radiated power that depends on the exciton and SP populations and coherences, allowing for an examination of the angular distribution of the emitted radiation that would be measured in experiment. Numerical simulations for a (6,5) SWNT and cone-shaped Ag metal tip (MT) have been performed using this methodology. Comparison with physical parameters shows that the near-field interaction between the exciton-SP occurs in a weak coupling regime, with the diffusion processes being much faster than the exciton-SP population exchange. In such a case, the effect of the exciton population transfer to the MT with its subsequent dissipation (i.e., the Forster energy transfer) is to modify the exciton steady state distribution while reducing the equilibration time for excitons to reach a steady sate distribution. We find that the radiation distribution is dominated by SP emission for a SWNT-MT separation of a few tens of nanometers due to the fast SP emission rate, whereas the exciton-SP coherences can cause its rotation. C1 [Roslyak, Oleksiy] Los Alamos Natl Lab, Div Theoret, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. [Roslyak, Oleksiy; Cherqui, Charles; Piryatinski, Andrei] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA. [Cherqui, Charles; Dunlap, David H.] Univ New Mexico, Dept Phys, Albuquerque, NM 87131 USA. RP Dunlap, DH (reprint author), Univ New Mexico, Dept Phys, Albuquerque, NM 87131 USA. EM dunlap@unm.edu; apiryat@lanl.gov RI Piryatinski, Andrei/B-5543-2009 FU Los Alamos National Laboratory Directed Research and Development (LDRD) Funds; Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences (OBES) user facility; Center for Nonlinear Studies (CNLS) FX This work was supported by Los Alamos National Laboratory Directed Research and Development (LDRD) Funds. O.R. acknowledges the support provided by the Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences (OBES) user facility. C.C. also acknowledges the support provided by the Center for Nonlinear Studies (CNLS). We thank Jared Crochet, Han Htoon, and Stephen Doom for stimulating discussions. NR 46 TC 3 Z9 3 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 8070 EP 8080 DI 10.1021/jp501144s PG 11 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800044 PM 24666158 ER PT J AU Yoshida, T Farone, WA Xantheas, SS AF Yoshida, Tomoki Farone, William A. Xantheas, Sotiris S. TI Isomers and Conformational Barriers of Gas-Phase Nicotine, Nornicotine, and Their Protonated Forms SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ACETYLCHOLINE-RECEPTORS; TOBACCO ALKALOIDS; DRUG DISCOVERY; HYDROGEN-BOND; BASIS-SETS; BINDING; MUSCARINE; POPULATION; PYRIDINE; RAT AB We report extensive conformational searches of the gas-phase neutral nicotine, nornicotine, and their protonated analogs and the pathways and barriers for the interconversion between their various isomers that are based on ab initio second-order Moller-Plesset perturbation (MP2) electronic structure calculations. Initial searches were performed with the 6-31G(d,p), and the energetics of the most important structures were further refined from geometry optimizations with the larger aug-cc-pVTZ basis set. On the basis of the calculated free energies at T = 298 K for the gas-phase molecules, neutral nicotine has two dominant trans conformers, whereas neutral nornicotine is a mixture of several conformers. For nicotine, the protonation on both the pyridine and the pyrrolidine sites is energetically competitive, whereas nornicotine prefers protonation on the pyridine nitrogen. The protonated form of nicotine is mainly a mixture of two pyridine-protonated trans conformers and two pyrrolidine-protonated trans conformers, whereas the protonated form of nornicotine is a mixture of four pyridine-protonated trans conformers. Nornicotine is conformationally more flexible than nicotine; however, it is less protonated at the biologically important pyrrolidine nitrogen site. The lowest energy isomers for each case were found to interconvert via low (<6 kcal/mol) rotational barriers around the pyridine-pyrrolidine bond. These barriers are much lower than previous estimates based on lower levels of theory obtained without relaxation of the structure along the path. Nicotine was found to bind more strongly to tryptophan (Trp) than nornicotine, a finding that is consistent with nicotine's enhanced affinity in the nicotinic acetylcholide receptor. C1 [Yoshida, Tomoki] Hiroshima Univ, Ctr Quantum Life Sci, Higashihiroshima 7398526, Japan. [Yoshida, Tomoki] Hiroshima Univ, Dept Chem, Grad Sch Sci, Higashihiroshima 7398526, Japan. [Farone, William A.] Appl Power Concepts Inc, Anaheim, CA 92801 USA. [Xantheas, Sotiris S.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Xantheas, SS (reprint author), Pacific NW Natl Lab, Div Phys Sci, 902 Battelle Blvd,POB 999,MS K1-83, Richland, WA 99352 USA. EM sotiris.xantheas@pnnl.gov RI Xantheas, Sotiris/L-1239-2015; OI Xantheas, Sotiris/0000-0002-6303-1037 FU Japan Society for the Promotion of Science (JSPS); U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX T.Y. acknowledges support from the Japan Society for the Promotion of Science (JSPS) through the Strategic Young Researcher Overseas Visits Program for Accelerating Brain Circulation. S.S.X. acknowledges support from the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 48 TC 3 Z9 3 U1 1 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 8273 EP 8285 DI 10.1021/jp501646p PG 13 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800065 PM 24654683 ER PT J AU Baer, MD Kuo, IFW Tobias, DJ Mundy, CJ AF Baer, Marcel D. Kuo, I-Feng W. Tobias, Douglas J. Mundy, Christopher J. TI Toward a Unified Picture of the Water Self-Ions at the Air-Water Interface: A Density Functional Theory Perspective SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID INITIO MOLECULAR-DYNAMICS; HYDRATED EXCESS PROTON; LIQUID-VAPOR INTERFACE; AIR/WATER INTERFACE; AQUEOUS ACID; NITRIC-ACID; HYDROPHOBIC INTERFACES; NEAT WATER; SURFACE; SOLVATION AB The propensities of the water self-ions, H3O+ and OH-, for the air-water interface have implications for interfacial acid-base chemistry. Despite numerous experimental and computational studies, no consensus has been reached on the question of whether or not H3O+ and/or OH- prefer to be at the water surface or in the bulk. Here we report a molecular dynamics simulation study of the bulk vs interfacial behavior of H3O+ and OH- that employs forces derived from density functional theory with a generalized gradient approximation exchange-correlation functional (specifically, BLYP) and empirical dispersion corrections. We computed the potential of mean force (PMF) for H3O+ as a function of the position of the ion in the vicinity of an air-water interface. The PMF suggests that H3O+ has equal propensity for the interface and the bulk. We compare the PMF for H3O+ to our previously computed PMF for OH- adsorption, which contains a shallow minimum at the interface, and we explore how differences in solvation of each ion at the interface vs in the bulk are connected with interfacial propensity. We find that the solvation shell of H3O+ is only slightly dependent on its position in the water slab, while OH- partially desolvates as it approaches the interface, and we examine how this difference in solvation behavior is manifested in the electronic structure and chemistry of the two ions. C1 [Baer, Marcel D.; Mundy, Christopher J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Kuo, I-Feng W.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94550 USA. [Tobias, Douglas J.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. RP Mundy, CJ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM chris.mundy@pnnl.gov RI Tobias, Douglas/B-6799-2015 FU National Science Foundation [CHE-0909227]; U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; Office of Science of the U.S. Department of Energy under Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL FX D.J.T. was supported by National Science Foundation grant CHE-0909227. C.J.M. was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by Battelle. I-F.W.K. performed this work under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. The potential of mean force required resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. The remaining simulations and analysis used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. M.D.B. is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL. NR 77 TC 29 Z9 29 U1 2 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 8364 EP 8372 DI 10.1021/jp501854h PG 9 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800071 PM 24762096 ER PT J AU DeVol, RT Metzler, RA Kabalah-Amitai, L Pokroy, B Politi, Y Gal, A Addadi, L Weiner, S Fernandez-Martinez, A Demichelis, R Gale, JD Ihli, J Meldrum, FC Blonsky, AZ Killian, CE Salling, CB Young, AT Marcus, MA Scholl, A Doran, A Jenkins, C Bechtel, HA Gilbert, PUPA AF DeVol, Ross T. Metzler, Rebecca A. Kabalah-Amitai, Lee Pokroy, Boaz Politi, Yael Gal, Assaf Addadi, Lia Weiner, Steve Fernandez-Martinez, Alejandro Demichelis, Raffaella Gale, Julian D. Ihli, Johannes Meldrum, Fiona C. Blonsky, Adam Z. Killian, Christopher E. Salling, C. B. Young, Anthony T. Marcus, Matthew A. Scholl, Andreas Doran, Andrew Jenkins, Catherine Bechtel, Hans A. Gilbert, Pupa U. P. A. TI Oxygen Spectroscopy and Polarization-Dependent Imaging Contrast (PIC)-Mapping of Calcium Carbonate Minerals and Biominerals SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; URCHIN LARVAL SPICULE; K-EDGE SPECTRA; CRYSTAL-STRUCTURES; VATERITE CACO3; ATRINA-RIGIDA; ORIENTATION; PHASE; SHELLS; GROWTH AB X-ray absorption near-edge structure (XANES) spectroscopy and spectromicroscopy have been extensively used to characterize biominerals. Using either Ca or C spectra, unique information has been obtained regarding amorphous biominerals and nanocrystal orientations. Building on these results, we demonstrate that recording XANES spectra of calcium carbonate at the oxygen K-edge enables polarization-dependent imaging contrast (PIC) mapping with unprecedented contrast, signal-to-noise ratio, and magnification. O and Ca spectra are presented for six calcium carbonate minerals: aragonite, calcite, vaterite, monohydrocalcite, and both hydrated and anhydrous amorphous calcium carbonate. The crystalline minerals reveal excellent agreement of the extent and direction of polarization dependences in simulated and experimental XANES spectra due to X-ray linear dichroism. This effect is particularly strong for aragonite, calcite, and vaterite. In natural biominerals, oxygen PIC-mapping generated high-magnification maps of unprecedented clarity from nacre and prismatic structures and their interface in Mytilus californianus shells. These maps revealed blocky aragonite crystals at the nacre-prismatic boundary and the narrowest calcite needle-prisms. In the tunic spicules of Herdmania momus, O PIC-mapping revealed the size and arrangement of some of the largest vaterite single crystals known. O spectroscopy therefore enables the simultaneous measurement of chemical and orientational information in CaCO3 biominerals and is thus a powerful means for analyzing these and other complex materials. As described here, PIC-mapping and spectroscopy at the O K-edge are methods for gathering valuable data that can be carried out using spectromicroscopy beamlines at most synchrotrons without the expense of additional equipment. C1 [DeVol, Ross T.; Blonsky, Adam Z.; Killian, Christopher E.; Salling, C. B.; Gilbert, Pupa U. P. A.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Metzler, Rebecca A.] Colgate Univ, Dept Phys & Astron, Hamilton, NY 13346 USA. [Kabalah-Amitai, Lee; Pokroy, Boaz] Technion Israel Inst Technol, Dept Mat Sci & Engn, IL-32000 Haifa, Israel. [Kabalah-Amitai, Lee; Pokroy, Boaz] Technion Israel Inst Technol, Russell Berrie Nanotechnol Inst, IL-32000 Haifa, Israel. [Politi, Yael; Gal, Assaf; Addadi, Lia; Weiner, Steve] Weizmann Inst Sci, Dept Struct Biol, Fac Chem, IL-76100 Rehovot, Israel. [Fernandez-Martinez, Alejandro] CNRS, ISTerre, F-38041 Grenoble, France. [Fernandez-Martinez, Alejandro] Univ Grenoble Alpes, F-38041 Grenoble, France. [Demichelis, Raffaella; Gale, Julian D.] Curtin Univ, Nanochem Res Inst, Dept Chem, Perth, WA 6845, Australia. [Ihli, Johannes; Meldrum, Fiona C.] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England. [Young, Anthony T.; Marcus, Matthew A.; Scholl, Andreas; Doran, Andrew; Jenkins, Catherine; Bechtel, Hans A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Gilbert, Pupa U. P. A.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. RP Gilbert, PUPA (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM pupa@physics.wisc.edu RI Gale, Julian/B-7987-2009; Demichelis, Raffaella/H-9193-2012; Fernandez-Martinez, Alejandro/B-4042-2010; Scholl, Andreas/K-4876-2012; Ihli, Johannes/G-1767-2015; Gilbert, Pupa/A-6299-2010; OI Gale, Julian/0000-0001-9587-9457; Demichelis, Raffaella/0000-0001-9741-213X; Fernandez-Martinez, Alejandro/0000-0001-5073-9629; Ihli, Johannes/0000-0002-9541-5748; Gilbert, Pupa/0000-0002-0139-2099; Meldrum, Fiona/0000-0001-9243-8517; Doran, Andrew/0000-0001-5158-4569 FU Department of Energy (DOE) [DE-AC02-05CH11231, DE-FG02-07ER15899]; National Science Foundation (NSF) [DMR-0537588, DMR-1105167]; US-Israel Binational Science Foundation [BSF-2010065]; Australian Research Council [DP0986999]; R.D. Curtin University FX We thank Ian C. Olson for his collaboration in developing GG-Macros software for color PIC-mapping. Experiments were performed at the Advanced Light Source, supported by the Department of Energy (DOE), Grant DE-AC02-05CH11231, and at the Synchrotron Radiation Center, supported by the National Science Foundation (NSF), Grant DMR-0537588. The experiments were supported by DOE Grant DE-FG02-07ER15899 to P.U.PAG., L.A, and S.W.; NSF Grant DMR-1105167 to P.U.P.A.G.; and US-Israel Binational Science Foundation Grant BSF-2010065 to B.P. and P.U.P.A.G. J.D.G. acknowledges Australian Research Council Discovery Grant DP0986999 and R.D. Curtin University for a Research Fellowship. NR 83 TC 10 Z9 10 U1 5 U2 61 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 17 PY 2014 VL 118 IS 28 BP 8449 EP 8457 DI 10.1021/jp503700g PG 9 WC Chemistry, Physical SC Chemistry GA AL8DT UT WOS:000339368800080 PM 24821199 ER PT J AU Zhou, ZN Sharma, VP Beaty, BT Roh-Johnson, M Peterson, EA Van Rooijen, N Kenny, PA Wiley, HS Condeelis, JS Segall, JE AF Zhou, Z. N. Sharma, V. P. Beaty, B. T. Roh-Johnson, M. Peterson, E. A. Van Rooijen, N. Kenny, P. A. Wiley, H. S. Condeelis, J. S. Segall, J. E. TI Autocrine HBEGF expression promotes breast cancer intravasation, metastasis and macrophage-independent invasion in vivo SO ONCOGENE LA English DT Article DE HBEGF; breast cancer invasion; EGFR; metastasis ID LIPOSOME-MEDIATED DEPLETION; SQUAMOUS-CELL CARCINOMA; GROWTH-FACTOR; HB-EGF; MAMMARY-TUMORS; PARACRINE LOOP; RECEPTOR; LIGANDS; INVADOPODIA; CORTACTIN AB Increased expression of HBEGF in estrogen receptor-negative breast tumors is correlated with enhanced metastasis to distant organ sites and more rapid disease recurrence upon removal of the primary tumor. Our previous work has demonstrated a paracrine loop between breast cancer cells and macrophages in which the tumor cells are capable of stimulating macrophages through the secretion of colony-stimulating factor-1 while the tumor-associated macrophages (TAMs), in turn, aid in tumor cell invasion by secreting epidermal growth factor. To determine how the autocrine expression of epidermal growth factor receptor (EGFR) ligands by carcinoma cells would affect this paracrine loop mechanism, and in particular whether tumor cell invasion depends on spatial ligand gradients generated by TAMs, we generated cell lines with increased HBEGF expression. We found that autocrine HBEGF expression enhanced in vivo intravasation and metastasis and resulted in a novel phenomenon in which macrophages were no longer required for in vivo invasion of breast cancer cells. In vitro studies revealed that expression of HBEGF enhanced invadopodium formation, thus providing a mechanism for cell autonomous invasion. The increased invadopodium formation was directly dependent on EGFR signaling, as demonstrated by a rapid decrease in invadopodia upon inhibition of autocrine HBEGF/EGFR signaling as well as inhibition of signaling downstream of EGFR activation. HBEGF expression also resulted in enhanced invadopodium function via upregulation of matrix metalloprotease 2 (MMP2) and MMP9 expression levels. We conclude that high levels of HBEGF expression can short-circuit the tumor cell/macrophage paracrine invasion loop, resulting in enhanced tumor invasion that is independent of macrophage signaling. C1 [Zhou, Z. N.; Sharma, V. P.; Beaty, B. T.; Roh-Johnson, M.; Condeelis, J. S.; Segall, J. E.] Albert Einstein Coll Med, Dept Anat & Struct Biol, Bronx, NY 10461 USA. [Peterson, E. A.; Kenny, P. A.] Albert Einstein Coll Med, Dev & Mol Biol, Bronx, NY 10461 USA. [Van Rooijen, N.] Free Univ Amsterdam, Med Ctr, Dept Mol Cell Biol, Amsterdam, Netherlands. [Wiley, H. S.] Pacific NW Natl Lab, Syst Biol Program, Richland, WA 99352 USA. [Wiley, H. S.] Pacific NW Natl Lab, Environ Mol Sci Lab, Richland, WA 99352 USA. [Condeelis, J. S.; Segall, J. E.] Albert Einstein Coll Med, Gruss Lipper Ctr Biophoton, Bronx, NY 10461 USA. RP Segall, JE (reprint author), Albert Einstein Coll Med, Dept Anat & Struct Biol, Bronx, NY 10461 USA. EM jeffrey.segall@einstein.yu.edu OI Sharma, Ved P/0000-0001-9998-5070; Wiley, Steven/0000-0003-0232-6867 FU Susan G. Komen for the Cure [KG111405]; NIH F32 postdoctoral fellowship [F32-CA159663-01]; NIH [1K12GM102779-01]; [CA100324]; [CA77522]; [T32-GM007288] FX We thank the Condeelis, Cox, Hodgson and Segall labs for their comments and suggestions. We thank Carl Manthey and Johnson and Johnson for providing the JnJ compound. JES is the Betty and Sheldon Feinberg Senior Faculty Scholar in Cancer Research. Funding was provided by CA100324 (ERS, ARB, DC, JWP, JC and JES), CA77522 (JES), T32-GM007288 (ZNZ), a postdoctoral fellowship from the Susan G. Komen for the Cure, KG111405 (VPS), an NIH F32 postdoctoral fellowship F32-CA159663-01 (MRJ) and an NIH 1K12GM102779-01 (EAP). NR 52 TC 20 Z9 20 U1 5 U2 16 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0950-9232 EI 1476-5594 J9 ONCOGENE JI Oncogene PD JUL 17 PY 2014 VL 33 IS 29 BP 3784 EP 3793 DI 10.1038/onc.2013.363 PG 10 WC Biochemistry & Molecular Biology; Oncology; Cell Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Oncology; Cell Biology; Genetics & Heredity GA AL8MU UT WOS:000339394100004 PM 24013225 ER PT J AU Deng, SHM Hou, GL Kong, XY Valiev, M Wang, XB AF Deng, Shihu H. M. Hou, Gao-Lei Kong, Xiang-Yu Valiev, Marat Wang, Xue-Bin TI Examining the Amine Functionalization in Dicarboxylates: Photoelectron Spectroscopy and Theoretical Studies of Aspartate and Glutamate SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MULTIPLY-CHARGED ANIONS; REPULSIVE COULOMB BARRIER; GAS-PHASE; DISSOCIATIVE PHOTODETACHMENT; K+ CHANNEL; BASIS-SETS; CHEMISTRY; DIANIONS; SOLVATION; DYNAMICS AB Aspartate (Asp(2-)) and glutamate (Glu(2-)), two doubly charged conjugate bases of the corresponding amino acids, were investigated using low-temperature negative ion photoelectron spectroscopy (NIPES) and ab initio calculations. The effect of amine functionalization was studied by a direct comparison to the parent dicarboxylate species (-CO2-(CH2)(n)-CO2-, DCn2-), succinate (DC22-) and propionate (DC32-). Experimentally, the addition of the amine group for the n = 2 case (DC22-, Asp(2-)) significantly improves the stability of the resultant Asp(2-) dianionic species, albeit that NIPES shows only a small increase in adiabatic electron detachment energy (ADE) (+0.05 eV). In contrast, for n = 3 (DC32-, Glu(2-)), a much larger ADE increase is observed (+0.15 eV). Similar results are obtained through ab initio calculations. The latter indicates that increased stability of Asp(2-) can be attributed to the lowering of the energy of the singlet dianion state due to hydrogen bonding effects. The effect of the amino group on the doublet monoanion state is more complicated and results in the weakening of the binding of the adjacent carboxylate group due to electronic structure resonance effects. This conclusion is confirmed by the analysis of NIPES results that show enhanced production of near-zero kinetic energy electrons observed experimentally for amine-functionalized species. C1 [Deng, Shihu H. M.; Hou, Gao-Lei; Kong, Xiang-Yu; Wang, Xue-Bin] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Valiev, Marat] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Valiev, M (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 9999, Richland, WA 99352 USA. EM marat.valiev@pnnl.gov; xuebin.wang@pnnl.gov RI Kong, Xiang-Yu/A-1990-2011 OI Kong, Xiang-Yu/0000-0002-4475-2162 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); DOE's Office of Biological and Environmental Research FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) and performed using EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. NR 39 TC 3 Z9 3 U1 2 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 17 PY 2014 VL 118 IS 28 BP 5256 EP 5262 DI 10.1021/jp505439b PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AL8DG UT WOS:000339367500015 PM 24979328 ER PT J AU Altman, SJ Aminzadeh, B Balhoff, MT Bennett, PC Bryant, SL Cardenas, MB Chaudhary, K Cygan, RT Deng, W Dewers, T DiCarlo, DA Eichhubl, P Hesse, MA Huh, C Matteo, EN Mehmani, Y Tenney, CM Yoon, H AF Altman, Susan J. Aminzadeh, Behdad Balhoff, Matthew T. Bennett, Philip C. Bryant, Steven L. Cardenas, M. Bayani Chaudhary, Kuldeep Cygan, Randall T. Deng, Wen Dewers, Thomas DiCarlo, David A. Eichhubl, Peter Hesse, Marc A. Huh, Chun Matteo, Edward N. Mehmani, Yashar Tenney, Craig M. Yoon, Hongkyu TI Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CONTACT-ANGLE MEASUREMENTS; REACTIVE TRANSPORT; SUPERCRITICAL CO2; MOLECULAR SIMULATION; FORCE-FIELD; FLUID-FLOW; SNAP-OFF; WETTABILITY; DIOXIDE; SYSTEMS AB Geological storage of CO2 (GCS), also referred to as carbon sequestration, is a critical component for decreasing anthropogenic CO2 atmospheric emissions. Stored CO2 will exist as a supercritical phase, most likely in deep, saline, sedimentary reservoirs. Research at the Center for Frontiers of Subsurface Energy Security (CFSES), a Department of Energy, Energy Frontier Research Center, provides insights into the storage process. The integration of pore-scale experiments, molecular dynamics simulations, and study of natural analogue sites has enabled understanding of the efficacy of capillary, solubility, and dissolution trapping of CO2 for GCS. Molecular dynamics simulations provide insight on relative wetting of supercritical CO2 and brine hydrophilic and hydrophobic basal surfaces of kaolinite. Column experiments of successive supercritical CO2/brine flooding with high-resolution X-ray computed tomography imaging show a greater than 10% difference of residual trapping of CO2 in hydrophobic media compared to hydrophilic media that trapped only 2% of the CO2. Simulation results suggest that injecting a slug of nanopartide dispersion into the storage reservoir before starting CO2 injection could increase the overall efficiency of large-scale storage. We estimate that approximately 22% +/- 17% of the initial CO2 emplaced into the Bravo Dome field site of New Mexico has dissolved into the underlying brine. The rate of CO2 dissolution may be considered limited over geological timescales. Field observations at the Little Grand Wash fault in Utah suggest that calcite precipitation results in shifts in preferential flow paths of the upward migrating CO2-saturated-brine. Results of hybrid pore-scale and pore network modeling based on Little Grand Wash fault observations demonstrate that inclusion of realistic pore configurations, flow and transport physics, and geochemistry are needed to enhance our fundamental mechanistic explanations of how calcite precipitation alters flow paths by pore plugging to match the Little Grand Wash fault observations. C1 [Altman, Susan J.; Cygan, Randall T.; Tenney, Craig M.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Aminzadeh, Behdad; Balhoff, Matthew T.; Bryant, Steven L.; DiCarlo, David A.; Huh, Chun; Mehmani, Yashar] Univ Texas Austin, Dept Petr & Geosyst Engn, Austin, TX 78712 USA. [Bennett, Philip C.; Cardenas, M. Bayani; Chaudhary, Kuldeep; Deng, Wen; Hesse, Marc A.] Univ Texas Austin, Jackson Sch Geosci, Dept Geol Sci, Austin, TX 78712 USA. [Dewers, Thomas; Yoon, Hongkyu] Sandia Natl Labs, Geomech Dept, Albuquerque, NM 87185 USA. [Eichhubl, Peter] Univ Texas Austin, Jackson Sch Geosci, Bur Econ Geol, Austin, TX 78712 USA. [Matteo, Edward N.] Sandia Natl Labs, Radiol Consequence Management & Response Technol, Albuquerque, NM 87185 USA. RP Altman, SJ (reprint author), Sandia Natl Labs, POB 5800,MS0754, Albuquerque, NM 87185 USA. EM sjaltma@sandia.gov RI Hesse, Marc/B-4914-2011; Eichhubl, Peter/A-2600-2009; Deng, Wen/D-3689-2016; Cardenas, Meinhard Bayani/B-4940-2011; OI Hesse, Marc/0000-0002-2532-3274; Eichhubl, Peter/0000-0002-2729-776X; Cardenas, Meinhard Bayani/0000-0001-6270-3105; chaudhary, kuldeep/0000-0003-1295-0313 FU Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001114]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This material is based upon work supported as part of the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001114. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 50 TC 12 Z9 12 U1 4 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 17 PY 2014 VL 118 IS 28 BP 15103 EP 15113 DI 10.1021/jp5006764 PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AL8DS UT WOS:000339368700001 ER PT J AU Liu, Y Wang, JH Yang, Y Brenner, TM Seifert, S Yan, YS Liberatore, MW Herring, AM AF Liu, Ye Wang, Junhua Yang, Yuan Brenner, Thomas M. Seifert, Soeenke Yan, Yushan Liberatore, Matthew W. Herring, Andrew M. TI Anion Transport in a Chemically Stable, Sterically Bulky alpha-C Modified Imidazolium Functionalized Anion Exchange Membrane SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID POLYMERIZED IONIC LIQUIDS; FUEL-CELL APPLICATIONS; FIELD GRADIENT NMR; SELF-DIFFUSION; HEAD-GROUPS; HYDROXIDE; CONDUCTIVITY; WATER; TEMPERATURE; MORPHOLOGY AB The morphology and anion transport of an a-C modified imidazolium functionalized anion exchange membrane, 1,4,5-trimethy1-2-(2,4,6-trimethoxyphenyl)imidazolium functionalized polyphenylene oxide (with ion exchange capacity {IEC} = 1.53 or 1.82 mequiv/g), were studied in detail. The novel cation is less susceptible to OH- attack (0% degradation) compared to unsubstituted imidazolium functionalized polyphenylene oxide (25% degradation) after 24 h at 80 degrees C in 1 M KOH. The two different IEC materials (with the same protected cation) show interesting differences in membrane performance. From AFM and SAXS under humid conditions, the domain sizes of the membrane change, which impact the transport properties. The lower IEC sample showed a smaller tortuosity and, thus, needs a longer diffusion time for the water molecules to be fully hindered inside the hydrophobic clusters, which is confirmed by water self-diffusion measurements from pulsed field gradient NMR. From conductivity and diffusion measurements, the higher IEC sample exhibited Vogel-Tammann-Fulcher behavior, thus indicating that the polymer chain's movement dominates the transport. However, the lower IEC sample exhibited the linear Arrhenius behavior signifying water-mediated transport. The maximum Cl- conductivity observed was 23 mS/cm at 95% RH and 90 degrees C. C1 [Liu, Ye; Liberatore, Matthew W.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA. [Yang, Yuan] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. [Brenner, Thomas M.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Wang, Junhua; Yan, Yushan] Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19716 USA. [Seifert, Soeenke] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Herring, AM (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA. EM aherring@mines.edu RI Liberatore, Matthew/B-6828-2008 FU Army Research Office under the MURI [W911NF-10-1-0520]; U.S. DOE [DE-AC02-06CH11357] FX The authors thank the Army Research Office for support of this research under the MURI grant number #W911NF-10-1-0520. The Advanced Photon Source operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. We also thank James L. Horan and Tara P. Pandey for help with visible microscopy measurement. NR 62 TC 27 Z9 27 U1 6 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 17 PY 2014 VL 118 IS 28 BP 15136 EP 15145 DI 10.1021/jp5027674 PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AL8DS UT WOS:000339368700005 ER PT J AU Hua, X Robert, R Du, LS Wiaderek, KM Leskes, M Chapman, KW Chupas, PJ Grey, CP AF Hua, Xiao Robert, Rosa Du, Lin-Shu Wiaderek, Kamila M. Leskes, Michal Chapman, Karena W. Chupas, Peter J. Grey, Clare P. TI Comprehensive Study of the CuF2 Conversion Reaction Mechanism in a Lithium Ion Battery SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID X-RAY-DIFFRACTION; NMR-SPECTROSCOPY; FLUORIDE NANOCOMPOSITES; ABSORPTION SPECTROSCOPY; RECHARGEABLE BATTERIES; ELECTRODE MATERIALS; CURRENT COLLECTORS; COPPER; STATE; INSERTION AB Conversion materials for lithium ion batteries have recently attracted considerable attention due to their exceptional specific capacities. Some metal fluorides, such as CuF2, are promising candidates for cathode materials owing to their high operating potential, which stems from the high electronegativity of fluorine. However, the high ionicity of the metal-fluorine bond leads to a large band gap that renders these materials poor electronic conductors. Nanosizing the active material and embedding it within a conductive matrix such as carbon can greatly improve its electrochemical performance. In contrast to other fluorides, such as FeF2 and NiF2, good capacity retention has not, however, been achieved for CuF2. The reaction mechanisms that occur in the first and subsequent cycles and the reasons for the poor charge performance of CuF2 are studied in this paper via a variety of characterization methods. In situ pair distribution function analysis clearly shows CuF2 conversion in the first discharge. However, few structural changes are seen in the following charge and subsequent cycles. Cyclic voltammetry results, in combination with in situ X-ray absorption near edge structure and ex situ nuclear magnetic resonance spectroscopy, indicate that Cu dissolution is associated with the consumption of the LiF phase, which occurs during the first charge via the formation of a Cu1+ intermediate. The dissolution process consequently prevents Cu and LiF from transforming back to CuF2. Such side reactions result in negligible capacity in subsequent cycles and make this material challenging to use in a rechargeable battery. C1 [Hua, Xiao; Robert, Rosa; Leskes, Michal; Grey, Clare P.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. [Hua, Xiao; Du, Lin-Shu; Grey, Clare P.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Wiaderek, Kamila M.; Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Grey, CP (reprint author), Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England. EM cpg27@cam.ac.uk RI Leskes, Michal/J-4674-2015; Hua, Xiao/M-4896-2015 OI Leskes, Michal/0000-0002-7172-9689; Hua, Xiao/0000-0002-8673-5678 FU U.S. DOE BES; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001294, DE-AC02-98CH10886]; EPSRC; U.S. DOE [DE-AC02-06CH11357] FX We acknowledge the funding from the U.S. DOE BES via funding to the EFRC NECCES, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001294 (support for Rosa Robert and Lin-Shu Du) and EPSRC via the "nanoionics" programme grant (support for Xiao Hua). Use of the National Synchrotron Light Source (NSLS), Brookhaven National Laboratory (BNL), was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. We thank Dr. Dongli Zeng, Dr. Sylvia Britto, Dr. Yan-Yan Hu, Hao Liu, Rowan K. Leary, Dr. Olaf J. Borkiewicz, and Dr. Bans Key for their kind help with this project. We are also grateful to Profs. Jean-Marie Tarascon, Glenn G. Amatucci, and Shirley Meng for insightful discussions. NR 61 TC 28 Z9 29 U1 20 U2 129 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 17 PY 2014 VL 118 IS 28 BP 15169 EP 15184 DI 10.1021/jp503902z PG 16 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AL8DS UT WOS:000339368700009 ER PT J AU Chen, L Li, ZJ Smith, RS Kay, BD Dohnalek, Z AF Chen, Long Li, Zhenjun Smith, R. Scott Kay, Bruce D. Dohnalek, Zdenek TI Conversion of 1,2-Propylene Glycol on Rutile TiO2(110) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID H BOND ACTIVATION; ETHYLENE-GLYCOL; O-H; ALIPHATIC-ALCOHOLS; SURFACE-CHEMISTRY; MOLECULAR-OXYGEN; ATOMIC OXYGEN; ADSORPTION; DEHYDRATION; METHANOL AB We have studied the reactions of 1,2-propylene glycol (1,2-PG), DOCH(CH3)CH2OD, on partially reduced, hydroxylated, and oxidized TiO2(110) surfaces using temperature-programmed desorption. On reduced TiO2(110), propylene, propanal, and acetone are identified as primary carbon-containing products. While the propylene formation channel dominates at low 1,2-PG coverages, all of the above-mentioned products are observed at high coverages. The carbon-containing products are accompanied by the formation of D2O and D-2. The observation of only deuterated products shows that the source of hydrogen (D) is from the 1,2-PG hydroxyls. The role of bridging oxygen vacancy (V-O) sites was further investigated by titrating them via hydroxylation and oxidation. The results show that hydroxylation does not change the reactivity because the V-O sites are regenerated at 500 K, which is a temperature lower than the 1,2-PG product formation temperature. In contrast, surface oxidation causes significant changes in the product distribution, with increased acetone and propanal formation and decreased propylene formation. Additionally, D-2 is completely eliminated as an observed product at the expense of D2O formation. C1 [Dohnalek, Zdenek] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Dohnalek, Z (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, POB 999,Mail Stop K8-88, Richland, WA 99352 USA. EM Zdenek.Dohnalek@pnnl.gov RI Smith, Scott/G-2310-2015 OI Smith, Scott/0000-0002-7145-1963 FU US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences, and performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for the DOE by Battelle. NR 43 TC 6 Z9 6 U1 0 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 17 PY 2014 VL 118 IS 28 BP 15339 EP 15347 DI 10.1021/jp504770f PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AL8DS UT WOS:000339368700029 ER PT J AU Rother, G Vlcek, L Gruszkiewicz, MS Chialvo, AA Anovitz, LM Banuelos, JL Wallacher, D Grimm, N Cole, DR AF Rother, Gernot Vlcek, Lukas Gruszkiewicz, Miroslaw S. Chialvo, Ariel A. Anovitz, Lawrence M. Banuelos, Jose L. Wallacher, Dirk Grimm, Nico Cole, David R. TI Sorption Phase of Supercritical CO2 in Silica Aerogel: Experiments and Mesoscale Computer Simulations SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ANGLE NEUTRON-SCATTERING; EQUATION-OF-STATE; CARBON-DIOXIDE; CRITICAL DEPLETION; CORRELATION LENGTH; RANGE CORRELATIONS; MESOPOROUS SILICA; CRITICAL-BEHAVIOR; SOLID BOUNDARY; FLUID DENSITY AB Adsorption of supercritical CO2 in nanoporous silica aerogel was investigated by a combination of experiments and molecular-level computer modeling. High-pressure gravimetric and vibrating tube densimetry techniques were used to measure the mean pore fluid density and excess sorption at 35 and 50 degrees C and pressures of 0-200 bar. Densification of the pore fluid was observed at bulk fluid densities below 0.7 g/cm(3). Far above the bulk critical density, near-zero sorption or weak depletion effects were measured, while broad excess sorption maxima form in the vicinity of the bulk critical density. The CO2 sorption properties are very similar for two aerogels with bulk densities of 0.1 and 0.2 g/cm(3), respectively. The spatial distribution of the confined supercritical fluid was analyzed in terms of two nanodispersed phases with sorption- and bulk-phase densities and their volumes by means of the adsorbed phase model (APM), which used data from gravimetric sorption and small-angle neutron scattering experiments. To gain more detailed insight into supercritical fluid sorption, large-scale lattice gas GCMC simulations were utilized and tuned to resemble the experimental excess sorption data. The computed three-dimensional pore fluid density distributions show that the observed maximum of the excess sorption near the critical density originates from large density fluctuations pinned to the pore walls. At this maximum, the size of these fluctuations is comparable to the prevailing pore sizes. C1 [Rother, Gernot; Vlcek, Lukas; Gruszkiewicz, Miroslaw S.; Chialvo, Ariel A.; Anovitz, Lawrence M.; Banuelos, Jose L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Vlcek, Lukas] Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. [Wallacher, Dirk; Grimm, Nico] Helmholtz Zentrum Berlin Mat & Energie GmbH, D-14109 Berlin, Germany. [Cole, David R.] Ohio State Univ, Sch Earth Sci, Columbus, OH 43210 USA. RP Rother, G (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM rother@ornl.gov; vlcekl1@ornl.gov RI Rother, Gernot/B-7281-2008; Banuelos, Jose/L-1561-2013; Gruszkiewicz, Miroslaw/L-2389-2016; Anovitz, Lawrence/P-3144-2016; Vlcek, Lukas/N-7090-2013; OI Rother, Gernot/0000-0003-4921-6294; Banuelos, Jose/0000-0003-4644-526X; Gruszkiewicz, Miroslaw/0000-0002-6551-6724; Anovitz, Lawrence/0000-0002-2609-8750; Vlcek, Lukas/0000-0003-4782-7702; Chialvo, Ariel/0000-0002-6091-4563 FU Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This material is based upon work supported as part of the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 44 TC 8 Z9 8 U1 5 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 17 PY 2014 VL 118 IS 28 BP 15525 EP 15533 DI 10.1021/jp503739x PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AL8DS UT WOS:000339368700048 ER PT J AU Rivest, JB Li, G Sharp, ID Neaton, JB Milliron, DJ AF Rivest, Jessy B. Li, Guo Sharp, Ian D. Neaton, Jeffrey B. Milliron, Delia J. TI Phosphonic Acid Adsorbates Tune the Surface Potential of TiO2 in Gas and Liquid Environments SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID SENSITIZED SOLAR-CELLS; SELF-ASSEMBLED MONOLAYERS; INDIUM-TIN OXIDE; ADSORPTION; ELECTRODES; INTERFACES; ENERGETICS; DEVICES; GOLD AB Controlled attachment of molecules to the surface of a material can alter the band structure energies with respect to the surrounding environment via a combination of intrinsic and bonding-induced dipoles. Here, we demonstrate that the surface potential of an application-relevant material, anatase TiO2, can be tuned over a broad energy range of similar to 1 eV using a family of dipolar phosphonic acid-based adsorbates. Using TiO2 as an example, we show with photoelectron spectroscopy that these adsorbates are stable in a liquid environment (propylene carbonate). More interestingly, the tunability is substantially retained and follows trends in the computed bound dipole. The electrochemical surface potential is shown to vary over 600 meV, the highest range in electrolytes to the best of our knowledge. Using density functional theory calculations, we rationalize the measured trends and show that the effective dipole upon molecular adsorption and not the intrinsic dipole of the isolated molecules correlates with observed changes in surface potential. Control of the effective dipole, through judicious choice of robust surface species, can allow in situ tuning of energy levels and functionality at active surfaces for energy conversion and storage, biosensing, and molecular electronics. C1 [Rivest, Jessy B.; Li, Guo; Neaton, Jeffrey B.; Milliron, Delia J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Li, Guo; Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy NanoSci Inst Berkeley, Berkeley, CA 94720 USA. [Milliron, Delia J.] Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA. RP Milliron, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM milliron@che.utexas.edu RI Milliron, Delia/D-6002-2012; Sharp, Ian/I-6163-2015; Li, Guo/H-1096-2015; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014 OI Sharp, Ian/0000-0001-5238-7487; Li, Guo/0000-0003-4884-3843; Neaton, Jeffrey/0000-0001-7585-6135; FU U.S. Department of Energy (DOE); Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub through the Office of Science of the U.S. DOE [DE-SC0004993]; JCESR through the DOE Office of Science; DOE Early Career Research Program grant FX This work was performed primarily at the Molecular Foundry, Lawrence Berkeley National Laboratory, supported by the U.S. Department of Energy (DOE). Theoretical work and PES were supported in part by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. DOE under Award Number DE-SC0004993, and J.B.R. was supported in part by JCESR, supported through the DOE Office of Science, while D.J.M. was supported by a DOE Early Career Research Program grant. Part of the calculations were carried out at NERSC. We gratefully acknowledge A. Zayak, D. Prendergast, B. Helms, and G. LeBlanc for helpful discussions. The 3-fluoro molecule was provided by W. McClain and J. Schwartz (Princeton), and some TiO2 films were prepared by A. Phillips. NR 31 TC 7 Z9 7 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JUL 17 PY 2014 VL 5 IS 14 BP 2450 EP 2454 DI 10.1021/jz501050f PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AL8CH UT WOS:000339365000011 PM 26277814 ER PT J AU Danilovic, N Subbaraman, R Chang, KC Chang, SH Kang, YJJ Snyder, J Paulikas, AP Strmcnik, D Kim, YT Myers, D Stamenkovic, VR Markovic, NM AF Danilovic, Nemanja Subbaraman, Ramachandran Chang, Kee-Chul Chang, Seo Hyoung Kang, Yijin J. Snyder, Joshua Paulikas, Arvydas P. Strmcnik, Dusan Kim, Yong-Tae Myers, Deborah Stamenkovic, Vojislav R. Markovic, Nenad M. TI Activity-Stability Trends for the Oxygen Evolution Reaction on Monometallic Oxides in Acidic Environments SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID X-RAY-ABSORPTION; ELECTRODE MATERIAL; RUTHENIUM DIOXIDE; ELECTROCATALYSIS; WATER; PEROVSKITES; CATALYSTS; SURFACES; VALENCY; IRIDIUM AB In the present study, we used a surface-science approach to establish a functional link between activity and stability of monometallic oxides during the OER in acidic media. We found that the most active oxides (Au << Pt < Ir < Ru << Os) are, in fact, the least stable (Au >> Pt > Ir > Ru >> Os) materials. We suggest that the relationships between stability and activity are controlled by both the nobility of oxides as well as by the density of surface defects. This functionality is governed by the nature of metal cations and the potential transformation of a stable metal cation with a valence state of n = +4 to unstable metal cation with n > +4. A practical consequence of such a close relationship between activity and stability is that the best materials for the OER should balance stability and activity in such a way that the dissolution rate is neither too fast nor too slow. C1 [Danilovic, Nemanja; Subbaraman, Ramachandran; Chang, Kee-Chul; Chang, Seo Hyoung; Kang, Yijin J.; Snyder, Joshua; Paulikas, Arvydas P.; Strmcnik, Dusan; Stamenkovic, Vojislav R.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Kim, Yong-Tae] Pusan Natl Univ, Pusan 609735, South Korea. [Myers, Deborah] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Markovic, NM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 Cass Ave, Argonne, IL 60439 USA. EM nmmarkovic@anl.gov RI Chang, Kee-Chul/O-9938-2014 OI Chang, Kee-Chul/0000-0003-1775-2148 FU U. S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U. S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 21 TC 62 Z9 62 U1 24 U2 157 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JUL 17 PY 2014 VL 5 IS 14 BP 2474 EP 2478 DI 10.1021/jz501061n PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AL8CH UT WOS:000339365000015 PM 26277818 ER PT J AU Paszek, MJ DuFort, CC Rossier, O Bainer, R Mouw, JK Godula, K Hudak, JE Lakins, JN Wijekoon, AC Cassereau, L Rubashkin, MG Magbanua, MJ Thorn, KS Davidson, MW Rugo, HS Park, JW Hammer, DA Giannone, G Bertozzi, CR Weaver, VM AF Paszek, Matthew J. DuFort, Christopher C. Rossier, Olivier Bainer, Russell Mouw, Janna K. Godula, Kamil Hudak, Jason E. Lakins, Jonathon N. Wijekoon, Amanda C. Cassereau, Luke Rubashkin, Matthew G. Magbanua, Mark J. Thorn, Kurt S. Davidson, Michael W. Rugo, Hope S. Park, John W. Hammer, Daniel A. Giannone, Gregory Bertozzi, Carolyn R. Weaver, Valerie M. TI The cancer glycocalyx mechanically primes integrin-mediated growth and survival SO NATURE LA English DT Article ID CELL-ADHESION; X-RAY; MICROSCOPY; RECEPTOR; GLYCOPOLYMERS; HYALURONAN; SCATTERING; NANOSCALE; DYNAMICS; TENSION AB Malignartcy is associated with altered expression of glycans and glycoprotems that contribute the cellular glycocalyx. We constructed a glycoprotein expression signature, which revealed that metastatic tumours upregulate expression of bulky glycoproteins. A computational model predicted that these glycoproteins would influence transmembrane receptor spatial organization and function. We tested this prediction by investigating whether bulky glycoproteins in the glycocalyx promote a tumour phenotype in human cells by increasing integrin adhesion and signalling. Our data revealed that a bulky glycocalyx facilitates integrin clustering by funnelling active integrins into adhesions and altering integrin state by applying tension to matrix-bound integrins, independent of actomyosin contractility. Expression of large tumour-associated glycoproteins in non-transformed mammary cells promoted focal adhesion assembly and facilitated integrin dependent growth factor signalling to support cell growth and survival. Clinical studies revealed that large glycoproteins are abundantly expressed on circulating tumour cells from patients with advanced disease. Thus, a bulky glycocalyx is a feature of tumour cells that could foster metastasis by mechanically enhancing cell-surface receptor function. C1 [Paszek, Matthew J.; DuFort, Christopher C.; Bainer, Russell; Mouw, Janna K.; Lakins, Jonathon N.; Wijekoon, Amanda C.; Cassereau, Luke; Rubashkin, Matthew G.; Weaver, Valerie M.] Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA. [Paszek, Matthew J.; DuFort, Christopher C.; Bainer, Russell; Mouw, Janna K.; Lakins, Jonathon N.; Wijekoon, Amanda C.; Cassereau, Luke; Rubashkin, Matthew G.; Weaver, Valerie M.] Univ Calif San Francisco, Ctr Bioengn & Tissue Regenerat, San Francisco, CA 94143 USA. [Paszek, Matthew J.; DuFort, Christopher C.; Bainer, Russell; Wijekoon, Amanda C.; Cassereau, Luke; Rubashkin, Matthew G.; Weaver, Valerie M.] Univ Calif Berkeley, Bay Area Phys Sci Oncol Program, Berkeley, CA 94720 USA. [Paszek, Matthew J.] Cornell Univ, Sch Chem & Biomol Engn, Ithaca, NY 14853 USA. [Paszek, Matthew J.] Cornell Univ, Cornell Nanoscale Sci, Lab Atom & Solid State Phys, Ithaca, NY 14853 USA. [Paszek, Matthew J.] Cornell Univ, Cornell Nanoscale Sci, Kavli Inst, Ithaca, NY 14853 USA. [Rossier, Olivier; Giannone, Gregory] Univ Bordeaux, UMR 5297, Interdisciplinary Inst Neurosci, F-33000 Bordeaux, France. [Rossier, Olivier; Giannone, Gregory] Univ Bordeaux, CNRS, Interdisciplinary Inst Neurosci, UMR 5297, F-33000 Bordeaux, France. [Godula, Kamil; Hudak, Jason E.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Godula, Kamil] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Magbanua, Mark J.; Rugo, Hope S.; Park, John W.; Weaver, Valerie M.] Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA. [Magbanua, Mark J.; Rugo, Hope S.; Park, John W.] Univ Calif San Francisco, Div Hematol Oncol, San Francisco, CA 94143 USA. [Thorn, Kurt S.] Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94158 USA. [Davidson, Michael W.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Davidson, Michael W.] Florida State Univ, Dept Biol Sci, Tallahassee, FL 32310 USA. [Hammer, Daniel A.] Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. [Hammer, Daniel A.] Univ Penn, Dept Bioengn, Philadelphia, PA 19104 USA. [Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Mol Biol, Berkeley, CA 94720 USA. [Bertozzi, Carolyn R.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Weaver, Valerie M.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. [Weaver, Valerie M.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA. [Weaver, Valerie M.] Univ Calif San Francisco, Eli & Edythe Broad Ctr Regenerat Med & Stem Cell, San Francisco, CA 94143 USA. RP Weaver, VM (reprint author), Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA. EM Valerie.Weaver@ucsfmedctr.org RI Foundry, Molecular/G-9968-2014; Rossier, Olivier/I-6569-2013; OI Rossier, Olivier/0000-0002-6932-931X; Thorn, Kurt/0000-0001-9310-288X FU Kavli Institute; UCSF Program for Biomedical Breakthrough postdoctoral fellowships; DoD NDSEG Fellowship; NIH Pathway to Independence Award [K99 EB013446-02]; French Ministry of Research; CNRS; ANR grant Nanomotility; INSERM; Fondation ARC pour la Recherche sur le Cancer; Conseil Regional Aquitaine; NIH [AI082292-03A1, 2R01GM059907-13, GM59907]; Breast Cancer Research Foundation; BCRP DOD Era of Hope Scholar Expansion grant [BC122990]; NIH NCI [U54CA163155-01, U54CA143836-01, 1U01 E5019458-01, CA138818-01A1]; France BioImaging [ANR-10-INBS-04-01] FX We thank S. Gendler, J. Goedhart and M. McMahon for cDNAs, as indicated in the Methods section. We thank A. Walker for bioinformatics support, L. Hauranieh for assistance in CTC analysis, H. Aaron for assistance with FLIM, J. B. Sibarita and M. Lagardere for support in sptPALM analysis, B. Hoffman in design of the FRET sensor, and T. Wittmann in assistance with pbFRET measurements. Image acquisition was partly performed at the Nikon Imaging Center and Biological Imaging Development Center at UCSF and the Berkeley Molecular Imaging Center. This work was supported by the Kavli Institute and UCSF Program for Biomedical Breakthrough postdoctoral fellowships to M.J.P.; DoD NDSEG Fellowship to M.G.R.; NIH GM59907 to C.R.B.; NIH Pathway to Independence Award K99 EB013446-02 to K.G.; French Ministry of Research, CNRS,ANR grant Nanomotility, INSERM, Fondation ARC pour la Recherche sur le Cancer, France BioImaging ANR-10-INBS-04-01, and Conseil Regional Aquitaine to O.R. and G.G.; NIH AI082292-03A1 to D.A.H.; The Breast Cancer Research Foundation to M.J.M., H.S.R. and J.W.P.; NIH 2R01GM059907-13 to C.R.B. and V.M.W.; and BCRP DOD Era of Hope Scholar Expansion grant BC122990, and NIH NCI grants U54CA163155-01, U54CA143836-01, 1U01 E5019458-01, and CA138818-01A1 to V.M.W. NR 35 TC 123 Z9 124 U1 13 U2 123 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 17 PY 2014 VL 511 IS 7509 BP 319 EP + DI 10.1038/nature13535 PG 19 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL2YR UT WOS:000338992200029 PM 25030168 ER PT J AU Smith, RF Eggert, JH Jeanloz, R Duffy, TS Braun, DG Patterson, JR Rudd, RE Biener, J Lazicki, AE Hamza, AV Wang, J Braun, T Benedict, LX Celliers, PM Collins, GW AF Smith, R. F. Eggert, J. H. Jeanloz, R. Duffy, T. S. Braun, D. G. Patterson, J. R. Rudd, R. E. Biener, J. Lazicki, A. E. Hamza, A. V. Wang, J. Braun, T. Benedict, L. X. Celliers, P. M. Collins, G. W. TI Ramp compression of diamond to five terapascals SO NATURE LA English DT Article ID MASS-RADIUS RELATIONSHIPS; DUCTILE POROUS MATERIALS; LASER-SHOCK COMPRESSION; EQUATION-OF-STATE; HIGH-PRESSURE; ISENTROPIC COMPRESSION; SOLID EXOPLANETS; INTERIOR; HYDROGEN; MODELS AB The recent discovery of more than a thousand planets outside our Solar System(1,2), together with the significant push to achieve inertially confined fusion in the laboratory(3), has prompted a renewed interest in how dense matter behaves at millions to billions of atmospheres of pressure. The theoretical description of such electron-degenerate matter has matured since the early quantum statistical model of Thomas and Fermi(4-10), and now suggests that new complexities can emerge at pressures where core electrons (not only valence electrons) influence the structure and bonding of matter(11). Recent developments in shock-free dynamic (ramp) compression now allow laboratory access to this dense matter regime. Here we describe ramp-compression measurements for diamond, achieving 3.7-fold compression at a peak pressure of 5 terapascals (equivalent to 50 million atmospheres). These equation-of-state data can now be compared to first-principles density functional calculations(12) and theories long used to describe matter present in the interiors of giant planets, in stars, and in inertial-confinement fusion experiments. Our data also provide new constraints on mass-radius relationships for carbon-rich planets. C1 [Smith, R. F.; Eggert, J. H.; Braun, D. G.; Patterson, J. R.; Rudd, R. E.; Biener, J.; Lazicki, A. E.; Hamza, A. V.; Braun, T.; Benedict, L. X.; Celliers, P. M.; Collins, G. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Jeanloz, R.; Wang, J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Dept Astron, Berkeley, CA 94720 USA. [Jeanloz, R.; Wang, J.] Univ Calif Berkeley, Miller Inst Basic Res Sci, Berkeley, CA 94720 USA. [Duffy, T. S.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. RP Collins, GW (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM collins7@llnl.gov RI Duffy, Thomas/C-9140-2017 OI Duffy, Thomas/0000-0002-5357-1259 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Department of Energy; University of California; Miller Institute for Basic Research in Science FX We thank the NIF staff, B. Goldstein, Ed Moses, C. Keane, the Science Use of NIF programme, C. Wild (Fraunhofer Institute for Applied Solid-State Physics, Freiburg, Germany) for preparation of the diamond targets, D. Hicks for his analysis work, and M. Millot for reanalysing published diamond Hugoniot data. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract number DE-AC52-07NA27344, with additional support from the Department of Energy, the University of California, and the Miller Institute for Basic Research in Science. NR 49 TC 44 Z9 45 U1 11 U2 100 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 17 PY 2014 VL 511 IS 7509 BP 330 EP + DI 10.1038/nature13526 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL2YR UT WOS:000338992200031 PM 25030170 ER PT J AU Colussi, TM Costantino, DA Hammond, JA Ruehle, GM Nix, JC Kieft, JS AF Colussi, Timothy M. Costantino, David A. Hammond, John A. Ruehle, Grant M. Nix, Jay C. Kieft, Jeffrey S. TI The structural basis of transfer RNA mimicry and conformational plasticity by a viral RNA SO NATURE LA English DT Article ID YELLOW MOSAIC-VIRUS; MINUS-STRAND SYNTHESIS; SYNTHESIS IN-VITRO; FUNCTIONAL IMPLICATIONS; STRUCTURE VALIDATION; CRYSTAL-STRUCTURE; IRES RNAS; TYMV-RNA; 3' END; POLYMERASE AB RNA is arguably the most functionally diverse biological macromolecule. In some cases a single discrete RNA sequence performs multiple roles, and this can be conferred by a complex three-dimensional structure. Such multifunctionality can also be driven or enhanced by the ability of a given RNA to assume different conformational (and therefore functional) states'. Despite its biological importance, a detailed structural understanding of the paradigm of RNA structure-driven multifunctionality is lacking. To address this gap it is useful to study examples from single-stranded positive-sense RNA viruses, a prototype being the tRNA-like structure (TLS) found at the 3' end of the turnip yellow mosaic virus (TYMV). This TLS not only acts like a tRNA to drive aminoacylation of the viral genomic (g)RNA(2-4), but also interacts with other structures in the 3' untranslated region of the gRNA(5), contains the promoter for negative-strand synthesis, and influences several infection-critical processes'. TLS RNA can provide a glimpse into the structural basis of RNA multifunctionality and plasticity, but for decades its high-resolution structure has remained elusive. Here we present the crystal structure of the complete TYMV TLS to 2.0 angstrom resolution. Globally, the RNA adopts a shape that mimics tRNA, but it uses a very different set of intramolecular interactions to achieve this shape. These interactions also allow the TLS to readily switch conformations. In addition, the TLS structure is 'two faced': one face closely mimics tRNA and drives aminoacylation, the other face diverges from tRNA and enables additional functionality. The TLS is thus structured to perform several functions and interact with diverse binding partners, and we demonstrate its ability to specifically bind to ribosomes. C1 [Colussi, Timothy M.; Costantino, David A.; Hammond, John A.; Ruehle, Grant M.; Kieft, Jeffrey S.] Univ Colorado, Denver Sch Med, Dept Biochem & Mol Genet, Aurora, CO 80045 USA. [Colussi, Timothy M.; Costantino, David A.; Kieft, Jeffrey S.] Univ Colorado, Denver Sch Med, Howard Hughes Med Inst, Aurora, CO 80045 USA. [Nix, Jay C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biol Consortium, Adv Light Source, Berkeley, CA 94720 USA. RP Kieft, JS (reprint author), Univ Colorado, Denver Sch Med, Dept Biochem & Mol Genet, Aurora, CO 80045 USA. EM jeffrey.kieft@ucdenver.edu FU UC Cancer Center [P30CA046934]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-ACO2-05CH11231]; National Institutes of Health [GM081346, GM097333] FX We thank H. Noller for the gift of 70S ribosomes. We thank I. Tinoco Jr, C. Musselman and T. Dreher for critical reading of this manuscript. The University of Colorado (UC) Denver X-ray Facility is supported by UC Cancer Center Support Grant P30CA046934. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences of the US Department of Energy under contract #DE-ACO2-05CH11231. J.S.K. is supported by grants GM081346 and GM097333 from the National Institutes of Health and is an Early Career Scientist of the Howard Hughes Medical Institute. NR 45 TC 23 Z9 25 U1 2 U2 26 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 17 PY 2014 VL 511 IS 7509 BP 366 EP + DI 10.1038/nature13378 PG 15 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AL2YR UT WOS:000338992200040 PM 24909993 ER PT J AU Cao, S Zhang, X Wu, N N'Diaye, AT Chen, G Schmid, AK Chen, XM Echtenkamp, W Enders, A Binek, C Dowben, PA AF Cao, Shi Zhang, Xin Wu, Ning N'Diaye, A. T. Chen, G. Schmid, A. K. Chen, Xumin Echtenkamp, W. Enders, A. Binek, Ch Dowben, P. A. TI Spin polarization asymmetry at the surface of chromia SO NEW JOURNAL OF PHYSICS LA English DT Article DE magnetoelectrics; surface spin polarization; voltage control of spin; surface and interface dipoles ID ENERGY-ELECTRON MICROSCOPY; EXCHANGE BIAS; TEMPERATURE; CR2O3; FILMS AB We demonstrate boundary spin polarization at the surface of a Cr2O3 single crystal using spin-polarized low-energy electron microscopy (SPLEEM), complementing prior spin polarized photoemission, spin polarized inverse photoemission, and x-ray magnetic circular dichroism photoemission electron microscopy measurements. This work shows that placing a Cr2O3 single crystal into a single domain state will result in net Cr2O3 spin polarization at the boundary, even in the presence of a gold overlayer. There are indications that the SPLEEM contrast for the two polarization states may be different, consistent with scanning tunneling microscopy spectroscopy results obtained from ultrathin films of Cr2O3. C1 [Cao, Shi; Zhang, Xin; Wu, Ning; Chen, Xumin; Echtenkamp, W.; Enders, A.; Binek, Ch; Dowben, P. A.] Univ Nebraska, Dept Phys & Astron, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA. [N'Diaye, A. T.; Chen, G.; Schmid, A. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, NCEM, Berkeley, CA 94720 USA. RP Cao, S (reprint author), Univ Nebraska, Dept Phys & Astron, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA. EM pdowben@unl.edu RI Binek, Christian/P-5937-2014; Chen, Gong/H-3074-2015; Zhang, Xin/J-5478-2015; Foundry, Molecular/G-9968-2014; OI Zhang, Xin/0000-0001-9232-427X; Cao, Shi/0000-0001-9380-2683 FU Semiconductor Research Corporation through the Center for Nanoferroic Devices, an SRC-NRI Center [ID 2398.001]; NSF through Nebraska MRSEC [DMR-0820521, DMR 0747704]; Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231] FX This project was supported by the Semiconductor Research Corporation through the Center for Nanoferroic Devices, an SRC-NRI Center under Task ID 2398.001, and by the NSF through Nebraska MRSEC DMR-0820521 and DMR 0747704. The SPLEEM experiments were performed at the National Center for Electron Microscopy, supported by the Office of Basic Energy Sciences of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 22 TC 10 Z9 10 U1 1 U2 39 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD JUL 17 PY 2014 VL 16 AR 073021 DI 10.1088/1367-2630/16/7/073021 PG 9 WC Physics, Multidisciplinary SC Physics GA AL6JB UT WOS:000339237400002 ER PT J AU Acciarri, R Adams, C Asaadi, J Baller, B Bolton, T Bromberg, C Cavanna, F Church, E Edmunds, D Ereditato, A Farooq, S Fleming, B Greenlee, H Horton-Smith, G James, C Klein, E Lang, K Laurens, P Mehdiyev, R Page, B Palamara, O Partyka, K Rameika, G Rebel, B Soderberg, M Spitz, J Szelc, AM Weber, M Yang, T Zeller, GP AF Acciarri, R. Adams, C. Asaadi, J. Baller, B. Bolton, T. Bromberg, C. Cavanna, F. Church, E. Edmunds, D. Ereditato, A. Farooq, S. Fleming, B. Greenlee, H. Horton-Smith, G. James, C. Klein, E. Lang, K. Laurens, P. Mehdiyev, R. Page, B. Palamara, O. Partyka, K. Rameika, G. Rebel, B. Soderberg, M. Spitz, J. Szelc, A. M. Weber, M. Yang, T. Zeller, G. P. TI Detection of back-to-back proton pairs in charged-current neutrino interactions with the ArgoNeuT detector in the NuMI low energy beam line SO PHYSICAL REVIEW D LA English DT Article ID MESON-EXCHANGE CURRENTS; SCATTERING; NUCLEI AB Short range nucleon-nucleon correlations in nuclei (NN SRC) carry important information on nuclear structure and dynamics. NN SRC have been extensively probed through two-nucleon knockout reactions in both pion and electron scattering experiments. We report here on the detection of two-nucleon knockout events from neutrino interactions and discuss their topological features as possibly involving NN SRC content in the target argon nuclei. The ArgoNeuT detector in the Main Injector neutrino beam at Fermilab has recorded a sample of 30 fully reconstructed charged-current events where the leading muon is accompanied by a pair of protons at the interaction vertex, 19 of which have both protons above the Fermi momentum of the Ar nucleus. Out of these 19 events, four are found with the two protons in a strictly back-to-back high momenta configuration directly observed in the final state and can be associated to nucleon resonance pionless mechanisms involving a pre-existing short range correlated np pair in the nucleus. Another fraction (four events) of the remaining 15 events has a reconstructed back-to-back configuration of an np pair in the initial state, a signature compatible with one-body quasielastic interaction on a neutron in a short range correlation (SRC) pair. The detection of these two subsamples of the collected (mu(-) + 2p) events suggests that mechanisms directly involving nucleon-nucleon SRC pairs in the nucleus are active and can be efficiently explored in neutrino-argon interactions with the Liquid Argon Time Projection chamber technology. C1 [Acciarri, R.; Rameika, G.; Rebel, B.; Soderberg, M.; Yang, T.; Zeller, G. P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, C.; Cavanna, F.; Church, E.; Fleming, B.; Klein, E.; Palamara, O.; Partyka, K.; Spitz, J.; Szelc, A. M.] Yale Univ, New Haven, CT 06520 USA. [Asaadi, J.; Soderberg, M.] Syracuse Univ, Syracuse, NY 13244 USA. [Bolton, T.; Farooq, S.; Horton-Smith, G.] Kansas State Univ, Manhattan, KS 66506 USA. [Edmunds, D.; Laurens, P.; Page, B.] Michigan State Univ, E Lansing, MI 48824 USA. [Cavanna, F.] Univ Aquila, I-67100 Laquila, Italy. [Ereditato, A.; Weber, M.] Univ Bern, CH-3012 Bern, Switzerland. [Lang, K.; Mehdiyev, R.] Univ Texas Austin, Austin, TX 78712 USA. [Palamara, O.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67100 Assergi, Italy. RP Acciarri, R (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM ornella.palamara@yale.edu RI Horton-Smith, Glenn/A-4409-2011; OI Spitz, Joshua/0000-0002-6288-7028; Horton-Smith, Glenn/0000-0001-9677-9167; Weber, Michele/0000-0002-2770-9031; Cavanna, Flavio/0000-0002-5586-9964 FU Office of Nuclear Physics in the Office of Science of the Department of Energy; National Science Foundation; Abilene Christian University Research Council; Research Foundation of SUNY; Vanderbilt University (U.S.A.); Ministry of Education, Culture, Sports, Science, and Technology; Japan Society for the Promotion of Science (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (People's Republic of China); Ministry of Education, Youth and Sports (Czech Republic); Centre National de la Recherche Scientifique; Commissariat a l' Energie Atomique; Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung; Deutscher Akademischer Austausch Dienst; Alexander von Humboldt Stiftung (Germany); Hungarian National Science Fund, OTKA (Hungary); Department of Atomic Energy and Department of Science and Technology (India); Israel Science Foundation (Israel); National Research Foundation and WCU program of the Ministry Education Science and Technology (Korea); Physics Department, Lahore University of Management Sciences (Pakistan); Ministry of Education and Science; Russian Academy of Sciences; Federal Agency of Atomic Energy (Russia); VR and Wallenberg Foundation (Sweden); U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; Hungarian American Enterprise Scholarship Fund; U.S.-Israel Binational Science Foundation FX We thank the staff of the Collider-Accelerator and Physics Departments at Brookhaven National Laboratory and the staff of the other PHENIX participating institutions for their vital contributions. We acknowledge support from the Office of Nuclear Physics in the Office of Science of the Department of Energy, the National Science Foundation, Abilene Christian University Research Council, Research Foundation of SUNY, and Dean of the College of Arts and Sciences, Vanderbilt University (U.S.A.), Ministry of Education, Culture, Sports, Science, and Technology and the Japan Society for the Promotion of Science (Japan), Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil), Natural Science Foundation of China (People's Republic of China), Ministry of Education, Youth and Sports (Czech Republic), Centre National de la Recherche Scientifique, Commissariat a l' Energie Atomique, and Institut National de Physique Nucleaire et de Physique des Particules (France), Bundesministerium fur Bildung und Forschung, Deutscher Akademischer Austausch Dienst, and Alexander von Humboldt Stiftung (Germany), Hungarian National Science Fund, OTKA (Hungary), Department of Atomic Energy and Department of Science and Technology (India), Israel Science Foundation (Israel), National Research Foundation and WCU program of the Ministry Education Science and Technology (Korea), Physics Department, Lahore University of Management Sciences (Pakistan), Ministry of Education and Science, Russian Academy of Sciences, Federal Agency of Atomic Energy (Russia), VR and Wallenberg Foundation (Sweden), the U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union, the Hungarian American Enterprise Scholarship Fund, and the U.S.-Israel Binational Science Foundation. NR 29 TC 23 Z9 23 U1 1 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 17 PY 2014 VL 90 IS 1 AR 012008 DI 10.1103/PhysRevD.90.012008 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AL3YC UT WOS:000339067000003 ER PT J AU Adare, A Afanasiev, S Aidala, C Ajitanand, NN Akiba, Y Al-Bataineh, H Alexander, J Angerami, A Aoki, K Apadula, N Aphecetche, L Aramaki, Y Asai, J Atomssa, ET Averbeck, R Awes, TC Azmoun, B Babintsev, V Bai, M Baksay, G Baksay, L Baldisseri, A Barish, KN Barnes, PD Bassalleck, B Basye, AT Bathe, S Batsouli, S Baublis, V Baumann, C Bazilevsky, A Belikov, S Belmont, R Bennett, R Berdnikov, A Berdnikov, Y Bhom, JH Bickley, AA Blau, DS Boissevain, JG Bok, JS Borel, H Boyle, K Brooks, ML Buesching, H Bumazhnov, V Bunce, G Butsyk, S Camacho, CM Campbell, S Caringi, A Chang, BS Chang, WC Charvet, JL Chen, CH Chernichenko, S Chi, CY Chiu, M Choi, IJ Choi, JB Choudhury, RK Christiansen, P Chujo, T Chung, P Churyn, A Chvala, O Cianciolo, V Citron, Z Cole, BA del Valle, ZC Connors, M Constantin, P Csanad, M Csorgo, T Dahms, T Dairaku, S Danchev, I Das, K Datta, A David, G Dayananda, MK Denisov, A d'Enterria, D Deshpande, A Desmond, EJ Dharmawardane, KV Dietzsch, O Dion, A Donadelli, M Drapier, O Drees, A Drees, KA Dubey, AK Durham, JM Durum, A Dutta, D Dzhordzhadze, V D'Orazio, L Edwards, S Efremenko, YV Ellinghaus, F Engelmore, T Enokizono, A En'yo, H Esumi, S Eyser, KO Fadem, B Feege, N Fields, DE Finger, M Finger, M Fleuret, F Fokin, SL Fraenkel, Z Frantz, JE Franz, A Frawley, AD Fujiwara, K Fukao, Y Fusayasu, T Garishvili, I Glenn, A Gong, H Gonin, M Gosset, J Goto, Y de Cassagnac, RG Grau, N Greene, SV Grim, G Perdekamp, MG Gunji, T Gustafsson, HA Henni, AH Haggerty, JS Hahn, KI Hamagaki, H Hamblen, J Han, R Hanks, J Hartouni, EP Haruna, K Haslum, E Hayano, R He, X Heffner, M Hemmick, TK Hester, T Hill, JC Hohlmann, M Holzmann, W Homma, K Hong, B Horaguchi, T Hornback, D Huang, S Ichihara, T Ichimiya, R Iinuma, H Ikeda, Y Imai, K Imrek, J Inaba, M Isenhower, D Ishihara, M Isobe, T Issah, M Isupov, A Ivanischev, D Iwanaga, Y Jacak, BV Jia, J Jiang, X Jin, J Johnson, BM Jones, T Joo, KS Jouan, D Jumper, DS Kajihara, F Kametani, S Kamihara, N Kamin, J Kang, JH Kapustinsky, J Karatsu, K Kasai, M Kawall, D Kawashima, M Kazantsev, AV Kempel, T Khanzadeev, A Kijima, KM Kikuchi, J Kim, A Kim, BI Kim, DH Kim, DJ Kim, E Kim, EJ Kim, SH Kim, YJ Kinney, E Kiriluk, K Kiss, A Kistenev, E Klay, J Klein-Boesing, C Kleinjan, D Kochenda, L Komkov, B Konno, M Koster, J Kozlov, A Kral, A Kravitz, A Kunde, GJ Kurita, K Kurosawa, M Kweon, MJ Kwon, Y Kyle, GS Lacey, R Lai, YS Lajoie, JG Layton, D Lebedev, A Lee, DM Lee, J Lee, KB Lee, KS Lee, T Leitch, MJ Leite, MAL Lenzi, B Li, X Lichtenwalner, P Liebing, P Levy, LAL Liska, T Litvinenko, A Liu, H Liu, MX Love, B Lynch, D Maguire, CF Makdisi, YI Malakhov, A Malik, MD Manko, VI Mannel, E Mao, Y Masek, L Masui, H Matathias, F McCumber, M McGaughey, PL McGlinchey, D Means, N Meredith, B Miake, Y Mibe, T Mignerey, AC Mikes, P Miki, K Milov, A Mishra, M Mitchell, JT Mohanty, AK Moon, HJ Morino, Y Morreale, A Morrison, DP Moukhanova, TV Mukhopadhyay, D Murakami, T Murata, J Nagamiya, S Nagle, JL Naglis, M Nagy, MI Nakagawa, I Nakamiya, Y Nakamura, KR Nakamura, T Nakano, K Nam, S Newby, J Nguyen, M Nihashi, M Niida, T Nouicer, R Nyanin, AS Oakley, C O'Brien, E Oda, SX Ogilvie, CA Oka, M Okada, K Onuki, Y Oskarsson, A Ouchida, M Ozawa, K Pak, R Palounek, APT Pantuev, V Papavassiliou, V Park, IH Park, J Park, SK Park, WJ Pate, SF Pei, H Peng, JC Pereira, H Peresedov, V Peressounko, DY Petti, R Pinkenburg, C Pisani, RP Proissl, M Purschke, ML Purwar, AK Qu, H Rak, J Rakotozafindrabe, A Ravinovich, I Read, KF Rembeczki, S Reygers, K Riabov, V Riabov, Y Richardson, E Roach, D Roche, G Rolnick, SD Rosati, M Rosen, CA Rosendahl, SSE Rosnet, P Rukoyatkin, P Ruzicka, P Rykov, VL Sahlmueller, B Saito, N Sakaguchi, T Sakai, S Sakashita, K Samsonov, V Sano, S Sato, T Sawada, S Sedgwick, K Seele, J Seidl, R Semenov, AY Semenov, V Seto, R Sharma, D Shein, I Shibata, TA Shigaki, K Shimomura, M Shoji, K Shukla, P Sickles, A Silva, CL Silvermyr, D Silvestre, C Sim, KS Singh, BK Singh, CP Singh, V Slunecka, M Soldatov, A Soltz, RA Sondheim, WE Sorensen, SP Sourikova, IV Staley, F Stankus, PW Stenlund, E Stepanov, M Ster, A Stoll, SP Sugitate, T Suire, C Sukhanov, A Sziklai, J Takagui, EM Taketani, A Tanabe, R Tanaka, Y Taneja, S Tanida, K Tannenbaum, MJ Tarafdar, S Taranenko, A Tarjan, P Themann, H Thomas, D Thomas, TL Togawa, M Toia, A Tomasek, L Tomita, Y Torii, H Towell, RS Tram, VN Tserruya, I Tsuchimoto, Y Vale, C Valle, H van Hecke, HW Vazquez-Zambrano, E Veicht, A Velkovska, J Vertesi, R Vinogradov, AA Virius, M Vossen, A Vrba, V Vznuzdaev, E Wang, XR Watanabe, D Watanabe, K Watanabe, Y Wei, F Wei, R Wessels, J White, SN Winter, D Woody, CL Wright, RM Wysocki, M Xie, W Yamaguchi, YL Yamaura, K Yang, R Yanovich, A Ying, J Yokkaichi, S You, Z Young, GR Younus, I Yushmanov, IE Zajc, WA Zaudtke, O Zhang, C Zhou, S Zolin, L AF Adare, A. Afanasiev, S. Aidala, C. Ajitanand, N. N. Akiba, Y. Al-Bataineh, H. Alexander, J. Angerami, A. Aoki, K. Apadula, N. Aphecetche, L. Aramaki, Y. Asai, J. Atomssa, E. T. Averbeck, R. Awes, T. C. Azmoun, B. Babintsev, V. Bai, M. Baksay, G. Baksay, L. Baldisseri, A. Barish, K. N. Barnes, P. D. Bassalleck, B. Basye, A. T. Bathe, S. Batsouli, S. Baublis, V. Baumann, C. Bazilevsky, A. Belikov, S. Belmont, R. Bennett, R. Berdnikov, A. Berdnikov, Y. Bhom, J. H. Bickley, A. A. Blau, D. S. Boissevain, J. G. Bok, J. S. Borel, H. Boyle, K. Brooks, M. L. Buesching, H. Bumazhnov, V. Bunce, G. Butsyk, S. Camacho, C. M. Campbell, S. Caringi, A. Chang, B. S. Chang, W. C. Charvet, J. -L. Chen, C. -H. Chernichenko, S. Chi, C. Y. Chiu, M. Choi, I. J. Choi, J. B. Choudhury, R. K. Christiansen, P. Chujo, T. Chung, P. Churyn, A. Chvala, O. Cianciolo, V. Citron, Z. Cole, B. A. del Valle, Z. Conesa Connors, M. Constantin, P. Csanad, M. Csoergo, T. Dahms, T. Dairaku, S. Danchev, I. Das, K. Datta, A. David, G. 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CA PHENIX Collaboration TI Measurement of transverse-single-spin asymmetries for midrapidity and forward-rapidity production of hadrons in polarized p plus p collisions at root s=200 and 62.4 GeV SO PHYSICAL REVIEW D LA English DT Article ID PROTON-PROTON COLLISIONS; FRAGMENTATION; ANTIPROTONS; SCATTERING; DETECTORS; QCD AB Measurements of transverse-single-spin asymmetries (A(N)) in p + p collisions at root s = 62.4 and 200 GeV with the PHENIX detector at the Relativistic Heavy Ion Collider are presented. At midrapidity, A(N) is measured for neutral pion and eta mesons reconstructed from diphoton decay, and, at forward rapidities, neutral pions are measured using both diphotons and electromagnetic clusters. The neutral-pion measurement of A(N) at midrapidity is consistent with zero with uncertainties a factor of 20 smaller than previous publications, which will lead to improved constraints on the gluon Sivers function. At higher rapidities, where the valence quark distributions are probed, the data exhibit sizable asymmetries. In comparison with previous measurements in this kinematic region, the new data extend the kinematic coverage in root s and p(T), and it is found that the asymmetries depend only weakly on root s. The origin of the forward A(N) is presently not understood quantitatively. The extended reach to higher p(T) probes the transition between transverse momentum dependent effects at low p(T) and multiparton dynamics at high p(T). C1 [Basye, A. T.; Isenhower, D.; Jones, T.; Jumper, D. S.; Thomas, D.; Towell, R. S.; Wright, R. M.] Abilene Christian Univ, Abilene, TX 79699 USA. [Chang, W. C.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Grau, N.] Augustana Coll, Dept Phys, Sioux Falls, SD 57197 USA. [Mishra, M.; Singh, B. K.; Singh, C. P.; Singh, V.; Tarafdar, S.] Banaras Hindu Univ, Dept Phys, Varanasi 221005, Uttar Pradesh, India. [Choudhury, R. K.; Dutta, D.; Mohanty, A. 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V.; Kamin, J.; McCumber, M.; Means, N.; Pantuev, V.; Proissl, M.; Sahlmueller, B.; Taneja, S.; Themann, H.; Toia, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Aphecetche, L.; Henni, A. Hadj] Univ Nantes, CNRS IN2P3, Ecole Mines Nantes, SUBATECH, F-44307 Nantes, France. [Garishvili, I.; Hamblen, J.; Hornback, D.; Kwon, Y.; Read, K. F.; Sorensen, S. P.] Univ Tennessee, Knoxville, TN 37996 USA. [Horaguchi, T.; Nakano, K.; Sakashita, K.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. [Chujo, T.; Esumi, S.; Ikeda, Y.; Inaba, M.; Konno, M.; Masui, H.; Miake, Y.; Miki, K.; Niida, T.; Oka, M.; Sakai, S.; Sato, T.; Shimomura, M.; Tanabe, R.; Tomita, Y.; Watanabe, K.] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 305, Japan. [Belmont, R.; Danchev, I.; Greene, S. V.; Huang, S.; Issah, M.; Love, B.; Maguire, C. F.; Mukhopadhyay, D.; Roach, D.; Valle, H.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Kikuchi, J.; Sano, S.; Yamaguchi, Y. L.] Waseda Univ, Adv Res Inst Sci & Engn, Shinjuku Ku, Tokyo 1620044, Japan. [Dubey, A. K.; Fraenkel, Z.; Kozlov, A.; Naglis, M.; Ravinovich, I.; Sharma, D.; Tserruya, I.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Csoergo, T.; Nagy, M. I.; Ster, A.; Sziklai, J.; Vertesi, R.] Hungarian Acad Sci, Wigner Res Ctr Phys, Inst Particle & Nucl Phys, RMKI,Wegner RCP, H-1525 Budapest, Hungary. [Bhom, J. H.; Bok, J. S.; Chang, B. S.; Choi, I. J.; Kang, J. H.; Kim, D. J.; Kim, S. H.; Kwon, Y.] Yonsei Univ, IPAP, Seoul 120749, South Korea. RP Adare, A (reprint author), Univ Colorado, Boulder, CO 80309 USA. EM morrison@bnl.gov; jamie.nagle@colorado.edu RI Dahms, Torsten/A-8453-2015; En'yo, Hideto/B-2440-2015; Hayano, Ryugo/F-7889-2012; HAMAGAKI, HIDEKI/G-4899-2014; Durum, Artur/C-3027-2014; Sorensen, Soren /K-1195-2016; Yokkaichi, Satoshi/C-6215-2017; Taketani, Atsushi/E-1803-2017; Semenov, Vitaliy/E-9584-2017 OI Dahms, Torsten/0000-0003-4274-5476; Hayano, Ryugo/0000-0002-1214-7806; Sorensen, Soren /0000-0002-5595-5643; Taketani, Atsushi/0000-0002-4776-2315; FU Office of Nuclear Physics in the Office of Science of the Department of Energy; National Science Foundation; Renaissance Technologies LLC; Abilene Christian University Research Council; Head of Department of Physics, University of Illinois at Urbana Champaign; Research Foundation of SUNY; Dean of the College of Arts and Sciences, Vanderbilt University (U.S.A.); Ministry of Education, Culture, Sports, Science, and Technology; Japan Society for the Promotion of Science; Head Investigator, Graduate School of Science, Hiroshima University (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (P.R. China); Ministry of Education, Youth and Sports (Czech Republic); Centre National de la Recherche Scientifique; Commissariat a l'Energie Atomique; Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung; Deutscher Akademischer Austausch Dienst; Alexander von Humboldt Stiftung (Germany); Hungarian National Science Fund, OTKA (Hungary); Department of Atomic Energy and Department of Science and Technology (India); Israel Science Foundation (Israel); National Research Foundation and WCU program of the Ministry Education Science and Technology (Korea); Physics Department, Lahore University of Management Sciences (Pakistan); Ministry of Education and Science; Russian Academy of Sciences; Federal Agency of Atomic Energy; Program Coordinator, Russian Research Center, Kurchatov Institute (Russia); VR and Wallenberg Foundation (Sweden); U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; U.S.- Hungarian Fulbright Foundation for Educational Exchange; U.S.-Israel Binational Science Foundation FX We thank the staff of the Collider-Accelerator and Physics Departments at Brookhaven National Laboratory and the staff of the other PHENIX participating institutions for their vital contributions. We acknowledge support from the Office of Nuclear Physics in the Office of Science of the Department of Energy; the National Science Foundation; a sponsored research grant from Renaissance Technologies LLC; Abilene Christian University Research Council; Head of Department of Physics, University of Illinois at Urbana Champaign; Research Foundation of SUNY; and Dean of the College of Arts and Sciences, Vanderbilt University (U.S.A.); Ministry of Education, Culture, Sports, Science, and Technology; the Japan Society for the Promotion of Science; and Head Investigator, Graduate School of Science, Hiroshima University (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (P.R. China); Ministry of Education, Youth and Sports (Czech Republic); Centre National de la Recherche Scientifique; Commissariat a l'Energie Atomique; and Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung; Deutscher Akademischer Austausch Dienst; and Alexander von Humboldt Stiftung (Germany); Hungarian National Science Fund, OTKA (Hungary); Department of Atomic Energy and Department of Science and Technology (India); Israel Science Foundation (Israel); National Research Foundation and WCU program of the Ministry Education Science and Technology (Korea); Physics Department, Lahore University of Management Sciences (Pakistan); Ministry of Education and Science; Russian Academy of Sciences; Federal Agency of Atomic Energy; and Program Coordinator, Russian Research Center, Kurchatov Institute (Russia); VR and Wallenberg Foundation (Sweden); the U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; the U.S.- Hungarian Fulbright Foundation for Educational Exchange; and the U.S.-Israel Binational Science Foundation. NR 50 TC 20 Z9 20 U1 6 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 17 PY 2014 VL 90 IS 1 AR 012006 DI 10.1103/PhysRevD.90.012006 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AL3YC UT WOS:000339067000001 ER PT J AU Adare, A Aidala, C Ajitanand, NN Akiba, Y Akimoto, R Al-Ta'ani, H Alexander, J Andrews, KR Angerami, A Aoki, K Apadula, N Appelt, E Aramaki, Y Armendariz, R Aschenauer, EC Awes, TC Azmoun, B Babintsev, V Bai, M Bannier, B Barish, KN Bassalleck, B Basye, AT Bathe, S Baublis, V Baumann, C Bazilevsky, A Belmont, R Ben-Benjamin, J Bennett, R Blau, DS Bok, JS Boyle, K Brooks, ML Broxmeyer, D Buesching, H Bumazhnov, V Bunce, G Butsyk, S Campbell, S Castera, P Chen, CH Chi, CY Chiu, M Choi, IJ Choi, JB Choudhury, RK Christiansen, P Chujo, T Chvala, O Cianciolo, V Citron, Z Cole, BA Del Valle, ZC Connors, M Csanad, M Csorgo, T Dairaku, S Datta, A David, G Dayananda, MK Denisov, A Deshpande, A Desmond, EJ Dharmawardane, KV Dietzsch, O Dion, A Donadelli, M Drapier, O Drees, A Drees, KA Durham, JM Durum, A D'Orazio, L Efremenko, YV Engelmore, T Enokizono, A En'yo, H Esumi, S Fadem, B Fields, DE Finger, M Finger, M Fleuret, F Fokin, SL Frantz, JE Franz, A Frawley, AD Fukao, Y Fusayasu, T Gal, C Garishvili, I Giordano, F Glenn, A Gong, X Gonin, M Goto, Y de Cassagnac, RG Grau, N Greene, SV Perdekamp, MG Gunji, T Guo, L Gustafsson, HA Haggerty, JS Hahn, KI Hamagaki, H Hamblen, J Han, R Hanks, J Harper, C Hashimoto, K Haslum, E Hayano, R He, X Hemmick, TK Hester, T Hill, JC Hollis, RS Holzmann, W Homma, K Hong, B Horaguchi, T Hori, Y Hornback, D Huang, J Huang, S Ichihara, T Ichimiya, R Iinuma, H Ikeda, Y Imai, K Inaba, M Iordanova, A Isenhower, D Ishihara, M Issah, M Ivanischev, D Iwanaga, Y Jacak, BV Jia, J Jiang, X John, D Johnson, BM Jones, T Joo, KS Jouan, D Kamin, J Kaneti, S Kang, BH Kang, JH Kang, JS Kapustinsky, J Karatsu, K Kasai, M Kawall, D Kazantsev, AV Kempel, T Khanzadeev, A Kijima, KM Kim, BI Kim, DJ Kim, EJ Kim, YJ Kim, YK Kinney, E Kiss, A Kistenev, E Kleinjan, D Kline, P Kochenda, L Komkov, B Konno, M Koster, J Kotov, D Kral, A Kunde, GJ Kurita, K Kurosawa, M Kwon, Y Kyle, GS Lacey, R Lai, YS Lajoie, JG Lebedev, A Lee, DM Lee, J Lee, KB Lee, KS Lee, SH Lee, SR Leitch, MJ Leite, MAL Li, X Lim, SH Levy, LAL Liu, H Liu, MX Love, B Lynch, D Maguire, CF Makdisi, YI Manion, A Manko, VI Mannel, E Mao, Y Masui, H McCumber, M McGaughey, PL McGlinchey, D McKinney, C Means, N Mendoza, M Meredith, B Miake, Y Mibe, T Mignerey, AC Miki, K Milov, A Mitchell, JT Miyachi, Y Mohanty, AK Moon, HJ Morino, Y Morreale, A Morrison, DP Motschwiller, S Moukhanova, TV Murakami, T Murata, J Nagamiya, S Nagle, JL Naglis, M Nagy, MI Nakagawa, I Nakamiya, Y Nakamura, KR Nakamura, T Nakano, K Newby, J Nguyen, M Nihashi, M Nouicer, R Nyanin, AS Oakley, C O'Brien, E Ogilvie, CA Oka, M Okada, K Oskarsson, A Ouchida, M Ozawa, K Pak, R Pantuev, V Papavassiliou, V Park, BH Park, IH Park, SK Pate, SF Patel, L Pei, H Peng, JC Pereira, H Peressounko, DY Petti, R Pinkenburg, C Pisani, RP Proissl, M Purschke, ML Qu, H Rak, J Ravinovich, I Read, KF Reygers, K Riabov, V Riabov, Y Richardson, E Roach, D Roche, G Rolnick, SD Rosati, M Rosendahl, SSE Sahlmueller, B Saito, N Sakaguchi, T Samsonov, V Sano, S Sarsour, M Sato, T Savastio, M Sawada, S Sedgwick, K Seidl, R Seto, R Sharma, D Shein, I Shibata, TA Shigaki, K Shim, HH Shimomura, M Shoji, K Shukla, P Sickles, A Silva, CL Silvermyr, D Silvestre, C Sim, KS Singh, BK Singh, CP Singh, V Slunecka, M Sodre, T Soltz, RA Sondheim, WE Sorensen, SP Sourikova, IV Stankus, PW Stenlund, E Stoll, SP Sugitate, T Sukhanov, A Sun, J Sziklai, J Takagui, EM Takahara, A Taketani, A Tanabe, R Tanaka, Y Taneja, S Tanida, K Tannenbaum, MJ Tarafdar, S Taranenko, A Tennant, E Themann, H Thomas, D Togawa, M Tomasek, L Tomasek, M Torii, H Towell, RS Tserruya, I Tsuchimoto, Y Utsunomiya, K Vale, C van Hecke, HW Vazquez-Zambrano, E Veicht, A Velkovska, J Vertesi, R Virius, M Vossen, A Vrba, V Vznuzdaev, E Wang, XR Watanabe, D Watanabe, K Watanabe, Y Watanabe, YS Wei, F Wei, R Wessels, J White, SN Winter, D Woody, CL Wright, RM Wysocki, M Yamaguchi, YL Yang, R Yanovich, A Ying, J Yokkaichi, S Yoo, JS You, Z Young, GR Younus, I Yushmanov, IE Zajc, WA Zelenski, A Zhou, S AF Adare, A. Aidala, C. Ajitanand, N. N. Akiba, Y. Akimoto, R. Al-Ta'ani, H. Alexander, J. Andrews, K. R. Angerami, A. Aoki, K. Apadula, N. Appelt, E. Aramaki, Y. Armendariz, R. Aschenauer, E. C. Awes, T. C. Azmoun, B. Babintsev, V. Bai, M. Bannier, B. Barish, K. N. Bassalleck, B. Basye, A. T. Bathe, S. Baublis, V. Baumann, C. Bazilevsky, A. Belmont, R. Ben-Benjamin, J. Bennett, R. Blau, D. S. Bok, J. S. Boyle, K. Brooks, M. L. Broxmeyer, D. Buesching, H. Bumazhnov, V. Bunce, G. Butsyk, S. Campbell, S. Castera, P. Chen, C. -H. Chi, C. Y. Chiu, M. Choi, I. J. Choi, J. B. Choudhury, R. K. Christiansen, P. Chujo, T. Chvala, O. Cianciolo, V. Citron, Z. Cole, B. A. Del Valle, Z. Conesa Connors, M. Csanad, M. Csoergo, T. Dairaku, S. Datta, A. David, G. Dayananda, M. K. Denisov, A. Deshpande, A. Desmond, E. J. Dharmawardane, K. V. Dietzsch, O. Dion, A. Donadelli, M. Drapier, O. Drees, A. Drees, K. A. Durham, J. M. Durum, A. D'Orazio, L. Efremenko, Y. V. Engelmore, T. Enokizono, A. En'yo, H. Esumi, S. Fadem, B. Fields, D. E. Finger, M. Finger, M., Jr. Fleuret, F. Fokin, S. L. Frantz, J. E. Franz, A. Frawley, A. D. Fukao, Y. Fusayasu, T. Gal, C. Garishvili, I. Giordano, F. Glenn, A. Gong, X. Gonin, M. Goto, Y. de Cassagnac, R. Granier Grau, N. Greene, S. V. Perdekamp, M. Grosse Gunji, T. Guo, L. Gustafsson, H. -A. Haggerty, J. S. Hahn, K. I. Hamagaki, H. Hamblen, J. Han, R. Hanks, J. Harper, C. Hashimoto, K. Haslum, E. Hayano, R. He, X. Hemmick, T. K. Hester, T. Hill, J. C. Hollis, R. S. Holzmann, W. Homma, K. Hong, B. Horaguchi, T. Hori, Y. Hornback, D. Huang, J. Huang, S. Ichihara, T. Ichimiya, R. Iinuma, H. Ikeda, Y. Imai, K. Inaba, M. Iordanova, A. Isenhower, D. Ishihara, M. Issah, M. Ivanischev, D. Iwanaga, Y. Jacak, B. V. Jia, J. Jiang, X. John, D. Johnson, B. M. Jones, T. Joo, K. S. Jouan, D. Kamin, J. Kaneti, S. Kang, B. H. Kang, J. H. Kang, J. S. Kapustinsky, J. Karatsu, K. Kasai, M. Kawall, D. Kazantsev, A. V. Kempel, T. Khanzadeev, A. Kijima, K. M. Kim, B. I. Kim, D. J. Kim, E. -J. Kim, Y. -J. Kim, Y. K. Kinney, E. Kiss, A. Kistenev, E. Kleinjan, D. Kline, P. Kochenda, L. Komkov, B. Konno, M. Koster, J. Kotov, D. Kral, A. Kunde, G. J. Kurita, K. Kurosawa, M. Kwon, Y. Kyle, G. S. Lacey, R. Lai, Y. S. Lajoie, J. G. Lebedev, A. Lee, D. M. Lee, J. Lee, K. B. Lee, K. S. Lee, S. H. Lee, S. R. Leitch, M. J. Leite, M. A. L. Li, X. Lim, S. H. Levy, L. A. Linden Liu, H. Liu, M. X. Love, B. Lynch, D. Maguire, C. F. Makdisi, Y. I. Manion, A. Manko, V. I. Mannel, E. Mao, Y. Masui, H. McCumber, M. McGaughey, P. L. McGlinchey, D. McKinney, C. Means, N. Mendoza, M. Meredith, B. Miake, Y. Mibe, T. Mignerey, A. C. Miki, K. Milov, A. Mitchell, J. T. Miyachi, Y. Mohanty, A. K. Moon, H. J. Morino, Y. Morreale, A. Morrison, D. P. Motschwiller, S. Moukhanova, T. V. Murakami, T. Murata, J. Nagamiya, S. Nagle, J. L. Naglis, M. Nagy, M. I. Nakagawa, I. Nakamiya, Y. Nakamura, K. R. Nakamura, T. Nakano, K. Newby, J. Nguyen, M. Nihashi, M. Nouicer, R. Nyanin, A. S. Oakley, C. O'Brien, E. Ogilvie, C. A. Oka, M. Okada, K. Oskarsson, A. Ouchida, M. Ozawa, K. Pak, R. Pantuev, V. Papavassiliou, V. Park, B. H. Park, I. H. Park, S. K. Pate, S. F. Patel, L. Pei, H. Peng, J. -C. Pereira, H. Peressounko, D. Yu. Petti, R. Pinkenburg, C. Pisani, R. P. Proissl, M. Purschke, M. L. Qu, H. Rak, J. Ravinovich, I. Read, K. F. Reygers, K. Riabov, V. Riabov, Y. Richardson, E. Roach, D. Roche, G. Rolnick, S. D. Rosati, M. Rosendahl, S. S. E. Sahlmueller, B. Saito, N. Sakaguchi, T. Samsonov, V. Sano, S. Sarsour, M. Sato, T. Savastio, M. Sawada, S. Sedgwick, K. Seidl, R. Seto, R. Sharma, D. Shein, I. Shibata, T. -A. Shigaki, K. Shim, H. H. Shimomura, M. Shoji, K. Shukla, P. Sickles, A. Silva, C. L. Silvermyr, D. Silvestre, C. Sim, K. S. Singh, B. K. Singh, C. P. Singh, V. Slunecka, M. Sodre, T. Soltz, R. A. Sondheim, W. E. Sorensen, S. P. Sourikova, I. V. Stankus, P. W. Stenlund, E. Stoll, S. P. Sugitate, T. Sukhanov, A. Sun, J. Sziklai, J. Takagui, E. M. Takahara, A. Taketani, A. Tanabe, R. Tanaka, Y. Taneja, S. Tanida, K. Tannenbaum, M. J. Tarafdar, S. Taranenko, A. Tennant, E. Themann, H. Thomas, D. Togawa, M. Tomasek, L. Tomasek, M. Torii, H. Towell, R. S. Tserruya, I. Tsuchimoto, Y. Utsunomiya, K. Vale, C. van Hecke, H. W. Vazquez-Zambrano, E. Veicht, A. Velkovska, J. Vertesi, R. Virius, M. Vossen, A. Vrba, V. Vznuzdaev, E. Wang, X. R. Watanabe, D. Watanabe, K. Watanabe, Y. Watanabe, Y. S. Wei, F. Wei, R. Wessels, J. White, S. N. Winter, D. Woody, C. L. Wright, R. M. Wysocki, M. Yamaguchi, Y. L. Yang, R. Yanovich, A. Ying, J. Yokkaichi, S. Yoo, J. S. You, Z. Young, G. R. Younus, I. Yushmanov, I. E. Zajc, W. A. Zelenski, A. Zhou, S. CA PHENIX Collaboration TI Inclusive double-helicity asymmetries in neutral-pion and eta-meson production in <(p) over right arrow> + <(p) over right arrow> collisions at root s=200 GeV SO PHYSICAL REVIEW D LA English DT Article ID DEEP-INELASTIC-SCATTERING; POLARIZED PARTON DISTRIBUTIONS; SPIN; PROTON; DEUTERON; DETECTOR; DESIGN AB Results are presented from data recorded in 2009 by the PHENIX experiment at the Relativistic Heavy Ion Collider for the double-longitudinal spin asymmetry, A(LL), for pi(0) and eta production in root s = 200 GeV polarized p + p collisions. Comparison of the pi(0) results with different theory expectations based on fits of other published data showed a preference for small positive values of gluon polarization, Delta G, in the proton in the probed Bjorken x range. The effect of adding the new 2009 pi(0) data to a recent global analysis of polarized scattering data is also shown, resulting in a best fit Delta G(DSSV)([0.05,0.2]) = 0.06(-0.15)(+0.11) in the range 0.05 < x < 0.2, with the uncertainty at Delta chi(2) = 9 when considering only statistical experimental uncertainties. Shifting the PHENIX data points by their systematic uncertainty leads to a variation of the best-fit value of Delta G(DSSV)([0.05,0.2]) between 0.02 and 0.12, demonstrating the need for full treatment of the experimental systematic uncertainties in future global analyses. C1 [Andrews, K. R.; Basye, A. T.; Isenhower, D.; Jones, T.; Thomas, D.; Towell, R. S.; Wright, R. M.] Abilene Christian Univ, Abilene, TX 79699 USA. [Grau, N.] Augustana Coll, Dept Phys, Sioux Falls, SD 57197 USA. [Singh, B. K.; Singh, C. P.; Singh, V.; Tarafdar, S.] Banaras Hindu Univ, Dept Phys, Varanasi 221005, Uttar Pradesh, India. [Choudhury, R. K.; Mohanty, A. K.; Shukla, P.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Bathe, S.] CUNY Bernard M Baruch Coll, New York, NY 10010 USA. [Bai, M.; Drees, K. A.; Makdisi, Y. I.; Zelenski, A.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Adare, A.; Aschenauer, E. C.; Azmoun, B.; Bazilevsky, A.; Buesching, H.; Bunce, G.; Chiu, M.; David, G.; Desmond, E. J.; Franz, A.; Haggerty, J. S.; Huang, J.; Jia, J.; Johnson, B. M.; Kistenev, E.; Lynch, D.; Mitchell, J. T.; Morrison, D. P.; Nouicer, R.; O'Brien, E.; Pak, R.; Pinkenburg, C.; Pisani, R. P.; Purschke, M. L.; Sakaguchi, T.; Sickles, A.; Sourikova, I. V.; Stoll, S. P.; Sukhanov, A.; Tannenbaum, M. J.; Vale, C.; White, S. N.; Woody, C. L.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Armendariz, R.; Barish, K. N.; Chvala, O.; Hester, T.; Hollis, R. S.; Iordanova, A.; Kleinjan, D.; Mendoza, M.; Morreale, A.; Rolnick, S. D.; Sedgwick, K.; Seto, R.] Univ Calif Riverside, Riverside, CA 92521 USA. [Finger, M.; Finger, M., Jr.; Slunecka, M.] Charles Univ Prague, CR-11636 Prague, Czech Republic. [Choi, J. B.; Kim, E. -J.; Lee, S. R.] Chonbuk Natl Univ, Jeonju 561756, South Korea. [Li, X.; Zhou, S.] China Inst Atom Energy, Sci & Technol Nucl Data Lab, Beijing 102413, Peoples R China. [Akimoto, R.; Aramaki, Y.; Gunji, T.; Hamagaki, H.; Hayano, R.; Hori, Y.; Morino, Y.; Ozawa, K.; Sano, S.; Takahara, A.; Utsunomiya, K.; Watanabe, Y. S.; Yamaguchi, Y. L.] Univ Tokyo, Grad Sch Sci, Ctr Nucl Study, Bunkyo Ku, Tokyo 1130033, Japan. [Adare, A.; Kinney, E.; Levy, L. A. Linden; McCumber, M.; McGlinchey, D.; Nagle, J. L.; Wysocki, M.] Univ Colorado, Boulder, CO 80309 USA. [Angerami, A.; Chi, C. Y.; Cole, B. A.; Engelmore, T.; Grau, N.; Hanks, J.; Holzmann, W.; Lai, Y. S.; Mannel, E.; Vazquez-Zambrano, E.; Veicht, A.; Winter, D.; Zajc, W. A.] Columbia Univ, New York, NY 10027 USA. [Angerami, A.; Chi, C. Y.; Cole, B. A.; Engelmore, T.; Grau, N.; Hanks, J.; Holzmann, W.; Lai, Y. S.; Mannel, E.; Vazquez-Zambrano, E.; Veicht, A.; Winter, D.; Zajc, W. A.] Nevis Labs, Irvington, NY 10533 USA. [Kral, A.; Virius, M.] Czech Tech Univ, Prague 16636 6, Czech Republic. [Pereira, H.; Silvestre, C.] CEA Saclay, F-91191 Gif Sur Yvette, France. [Csanad, M.; Kiss, A.] Eotvos Lorand Univ, ELTE, H-1117 Budapest, Hungary. [Hahn, K. I.; Lee, J.; Park, I. H.; Yoo, J. S.] Ewha Womans Univ, Seoul 120750, South Korea. [Frawley, A. D.; McGlinchey, D.] Florida State Univ, Tallahassee, FL 32306 USA. [Dayananda, M. K.; He, X.; Oakley, C.; Patel, L.; Qu, H.; Sarsour, M.; Ying, J.] Georgia State Univ, Atlanta, GA 30303 USA. [Kang, B. H.; Kang, J. S.; Kim, Y. K.; Park, B. H.] Hanyang Univ, Seoul 133792, South Korea. [Homma, K.; Iwanaga, Y.; Kijima, K. M.; Nakamiya, Y.; Nihashi, M.; Ouchida, M.; Shigaki, K.; Sugitate, T.; Torii, H.; Tsuchimoto, Y.; Watanabe, D.] Hiroshima Univ, Higashihiroshima 7398526, Japan. [Babintsev, V.; Bumazhnov, V.; Denisov, A.; Durum, A.; Shein, I.; Yanovich, A.] Inst High Energy Phys, State Res Ctr Russian Federat, IHEP Protvino, Protvino 142281, Russia. [Choi, I. J.; Giordano, F.; Perdekamp, M. Grosse; Kim, Y. -J.; Koster, J.; McKinney, C.; Meredith, B.; Peng, J. -C.; Vossen, A.; Yang, R.] Univers Illinois Urbana Champaign, Urbana, IL 61801 USA. [Pantuev, V.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Tomasek, L.; Tomasek, M.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague 18221 8, Czech Republic. [Dion, A.; Hill, J. C.; Kempel, T.; Lajoie, J. G.; Lebedev, A.; Ogilvie, C. A.; Pei, H.; Rosati, M.; Silva, C. L.; Wei, F.] Iowa State Univ, Ames, IA 50011 USA. [Imai, K.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. [Kim, D. J.; Rak, J.] Helsinki Inst Phys, FI-40014 Jyvaskyla, Finland. [Kim, D. J.; Rak, J.] Univ Jyvaskyla, FI-40014 Jyvaskyla, Finland. 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[Chujo, T.; Esumi, S.; Horaguchi, T.; Ikeda, Y.; Inaba, M.; Konno, M.; Masui, H.; Miake, Y.; Miki, K.; Oka, M.; Sato, T.; Shimomura, M.; Tanabe, R.; Watanabe, K.] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 305, Japan. [Appelt, E.; Belmont, R.; Greene, S. V.; Huang, S.; Issah, M.; Love, B.; Maguire, C. F.; Roach, D.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Milov, A.; Naglis, M.; Ravinovich, I.; Sharma, D.; Tserruya, I.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Csoergo, T.; Nagy, M. I.; Sziklai, J.; Vertesi, R.] Hungarian Acad Sci, Wigner Res Ctr Phys, Inst Particle & Nucl Phys, RMK,Wigner RCP, H-1525 Budapest, Hungary. [Bok, J. S.; Choi, I. J.; Kang, J. H.; Kwon, Y.; Lim, S. H.] Yonsei Univ, IPAP, Seoul 120749, South Korea. RP Adare, A (reprint author), Univ Colorado, Boulder, CO 80309 USA. EM morrison@bnl.gov; jamie.nagle@colorado.edu RI En'yo, Hideto/B-2440-2015; Hayano, Ryugo/F-7889-2012; HAMAGAKI, HIDEKI/G-4899-2014; Durum, Artur/C-3027-2014; Sorensen, Soren /K-1195-2016; Yokkaichi, Satoshi/C-6215-2017; Taketani, Atsushi/E-1803-2017 OI Hayano, Ryugo/0000-0002-1214-7806; Sorensen, Soren /0000-0002-5595-5643; Taketani, Atsushi/0000-0002-4776-2315 FU Office of Nuclear Physics in the Office of Science of the Department of Energy; National Science Foundation; Abilene Christian University Research Council; Research Foundation of SUNY; Vanderbilt University (U.S.A.); Ministry of Education, Culture, Sports, Science, and Technology; Japan Society for the Promotion of Science (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Fundacao de Amparo Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (People's Republic of China); Ministry of Education, Youth and Sports (Czech Republic); Centre National de la Recherche Scientifique; Commissariat a l' Energie Atomique; Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung; Deutscher Akademischer Austausch Dienst; Alexander von Humboldt Stiftung (Germany); Hungarian National Science Fund, OTKA (Hungary); Department of Atomic Energy and Department of Science and Technology (India); Israel Science Foundation (Israel); National Research Foundation; WCU program of the Ministry Education Science and Technology (Korea); Physics Department, Lahore University of Management Sciences (Pakistan); Ministry of Education and Science; Russian Academy of Sciences; Federal Agency of Atomic Energy (Russia); VR and Wallenberg Foundation (Sweden); U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; Hungarian American Enterprise Scholarship Fund; U.S.-Israel Binational Science Foundation FX We thank the staff of the Collider-Accelerator and Physics Departments at Brookhaven National Laboratory and the staff of the other PHENIX participating institutions for their vital contributions. We acknowledge support from the Office of Nuclear Physics in the Office of Science of the Department of Energy, the National Science Foundation, the Abilene Christian University Research Council, Research Foundation of SUNY, and Dean of the College of Arts and Sciences, Vanderbilt University (U.S.A.), Ministry of Education, Culture, Sports, Science, and Technology and the Japan Society for the Promotion of Science (Japan), Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and Fundacao de Amparo Pesquisa do Estado de Sao Paulo (Brazil), Natural Science Foundation of China (People's Republic of China), Ministry of Education, Youth and Sports (Czech Republic), Centre National de la Recherche Scientifique, Commissariat a l'Energie Atomique, and Institut National de Physique Nucleaire et de Physique des Particules (France), Bundesministerium fur Bildung und Forschung, Deutscher Akademischer Austausch Dienst, and Alexander von Humboldt Stiftung (Germany), Hungarian National Science Fund, OTKA (Hungary), Department of Atomic Energy and Department of Science and Technology (India), Israel Science Foundation (Israel), National Research Foundation and WCU program of the Ministry Education Science and Technology (Korea), Physics Department, Lahore University of Management Sciences (Pakistan), Ministry of Education and Science, Russian Academy of Sciences, Federal Agency of Atomic Energy (Russia), VR and Wallenberg Foundation (Sweden), the U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union, the Hungarian American Enterprise Scholarship Fund, and the U.S.-Israel Binational Science Foundation. NR 43 TC 25 Z9 25 U1 6 U2 20 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JUL 17 PY 2014 VL 90 IS 1 AR 012007 DI 10.1103/PhysRevD.90.012007 PG 19 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AL3YC UT WOS:000339067000002 ER EF