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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