FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Marchevsky, M DiMarco, J Felice, H Hafalia, AR Joseph, J Lizarazo, J Wang, X Sabbi, G AF Marchevsky, M. DiMarco, J. Felice, H. Hafalia, A. R. Joseph, J. Lizarazo, J. Wang, X. Sabbi, G. TI Magnetic Detection of Quenches in High-Field Accelerator Magnets SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; magnetic analysis; magnetic sensors ID SUPERCONDUCTING DIPOLE MAGNETS; CURRENT REDISTRIBUTION; LOCALIZATION; PROPAGATION; ANTENNAS; CABLES; LHC AB Development of high-field magnets for future accelerators brings new challenges and in particular the problem of reliable quench detection and localization. Traditionally, quench locations are determined by timing the propagation of the normal zone across the cable segment bounded by the neighboring voltage taps. However, applicability of this method is limited in high-field magnets due to a short time window allowed for quench propagation prior to firing the protection heaters. It becomes even more problematic for longer magnets, because a proportional increase in the number of voltage taps is required to see tap-to-tap propagation. Therefore, development of alternative quench localization techniques and improvement of the existing ones are needed. Here, we analyze three-dimensional magnetic field profiles due to a developing quench using the current redistribution model for Rutherford cable. We simulate transient field variations caused by the moving boundary of the normal zone and, as an example, attempt the model verification with the inductive quench antenna signals measured on the Nb3Sn quadrupole magnet, HQ01. Further steps on optimizing inductive quench antenna design will be discussed. C1 [Marchevsky, M.; Felice, H.; Hafalia, A. R.; Joseph, J.; Lizarazo, J.; Wang, X.; Sabbi, G.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [DiMarco, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Marchevsky, M (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM mmartchevskii@lbl.gov; dimarco@fnal.gov; hfelice@lbl.gov; rrhahalia@lbl.gov; JMJoseph@lbl.gov; jlizarazo@lbl.gov; XRWang@lbl.gov; GLSabbi@lbl.gov FU Office of Science, High Energy Physics, U.S. Department of Energy [DE-AC02-05CH11231]; DOE through the US LHC Accelerator Research Program (LARP) FX This work was supported in part by the Director, Office of Science, High Energy Physics, U.S. Department of Energy under Contract DE-AC02-05CH11231 and partially supported by the DOE through the US LHC Accelerator Research Program (LARP). NR 17 TC 2 Z9 2 U1 1 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 9001005 DI 10.1109/TASC.2012.2236379 PN 3 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 145EK UT WOS:000318997100094 ER PT J AU Mentink, MGT Bonevich, JE Dhalle, MMJ Dietderich, DR Godeke, A Hellman, F ten Kate, HHJ AF Mentink, M. G. T. Bonevich, J. E. Dhalle, M. M. J. Dietderich, D. R. Godeke, A. Hellman, F. ten Kate, H. H. J. TI Superconductivity in Nb-Sn Thin Films of Stoichiometric and Off-Stoichiometric Compositions SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Composition; morphology; Nb3Sn; superconducting properties; thin film ID NB3SN CONDUCTORS; CRITICAL-FIELD; DEPENDENCE; V3SI AB Binary Nb-Sn thin film samples were fabricated and characterized in terms of their composition, morphology, and superconducting properties. Nb-Sn was magnetron-sputtered onto heated R-plane sapphire substrates at 700 degrees C, 800 degrees C, and 900 degrees C, using a custom-built heater assembly. Samples were cut into strips, where each strip has a unique composition. For a subset of the samples, Nb-Sn was selectively etched away at an etching rate of 6 +/- 1 nm/s using an aqueous solution of 3 vol.% hydrofluoric and 19 vol.% nitric acid. The sample composition was investigated with a scanning electron microscope with an X-ray energy dispersive spectroscopy detector. Surface and cross-section morphologies were investigated using scanning electron microscopy and scanning transmission electron microscopy, revealing a dense columnar poly-crystalline grain structure. X-ray diffraction measurements indicate a highly textured film that is (100) oriented out-of-plane and random in-plane. The critical temperature T-c (ranging from 9.8 to 17.9 K), critical magnetic field mu(0) H-c2 (ranging from 12.5 to 31.3 T), residual resistivity ratio (RRR), and normal state resistivity rho(0) were measured and found to be broadly consistent with literature data on bulk Nb3Sn. C1 [Mentink, M. G. T.; Dhalle, M. M. J.; ten Kate, H. H. J.] Univ Twente, NL-7500 AE Enschede, Netherlands. [Mentink, M. G. T.; Dietderich, D. R.; Godeke, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bonevich, J. E.] NIST, Gaithersburg, MD 20899 USA. [Hellman, F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94704 USA. RP Mentink, MGT (reprint author), Univ Twente, POB 217, NL-7500 AE Enschede, Netherlands. EM mgtmentink@lbl.gov; john.bonevich@nist.gov; fhellman@berkeley.edu FU Office of Science, High Energy Physics, Basic Energy Sciences, the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the Director, Office of Science, High Energy Physics (Godeke, Mentink, Dietderich), Basic Energy Sciences (Hellman), the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 22 TC 1 Z9 1 U1 2 U2 28 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 7100505 DI 10.1109/TASC.2012.2235513 PN 3 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 145EK UT WOS:000318997100040 ER PT J AU Parks, HV Tang, YH Reese, P Gust, J Novak, JJ AF Parks, Harold V. Tang, Yi-hua Reese, Paul Gust, Jeff Novak, James J. TI The North American Josephson Voltage Interlaboratory Comparison SO IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT LA English DT Article DE Interlaboratory comparison (ILC); Josephson voltage standards (JVSs); measurement standards; uncertainty; voltage measurement ID STANDARDS; DC AB The ninth North American Josephson voltage standard (JVS) interlaboratory comparison (ILC) at 10 V was completed in 2011. An on-site comparison was conducted between the National Institute of Standards and Technology compact JVS and the pivot laboratory system. A set of four traveling Zener voltage standards was then shipped from the pivot laboratory to the other participants. We give the results from the 2011 ILC and review recent comparisons which have used the same traveling standards and similar procedures. C1 [Parks, Harold V.; Novak, James J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Tang, Yi-hua] NIST, Gaithersburg, MD 20899 USA. [Reese, Paul] Bionetics Corp, Patrick AFB, FL 32925 USA. [Gust, Jeff] Fluke Corp, Everett, WA 98206 USA. RP Parks, HV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM hvparks@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Fluke Calibration for providing the four traveling Zener voltage standards as well as High Precision Devices Inc. for the reversing switches. 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 16 TC 2 Z9 2 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9456 J9 IEEE T INSTRUM MEAS JI IEEE Trans. Instrum. Meas. PD JUN PY 2013 VL 62 IS 6 BP 1608 EP 1614 DI 10.1109/TIM.2013.2238014 PG 7 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 145HT UT WOS:000319006800036 ER PT J AU Yuan, SW White, D Mason, A Liu, DJ AF Yuan, Shengwen White, Desiree Mason, Alex Liu, Di-Jia TI Porous organic polymers containing carborane for hydrogen storage SO INTERNATIONAL JOURNAL OF ENERGY RESEARCH LA English DT Article DE hydrogen storage; porous organic polymer; polycarborane; physisorption; gas adsorption material; heat of adsorption; Friedel Crafts alkylation; ethynyl trimerization ID HIGH-SURFACE-AREA; CONJUGATED MICROPOROUS POLYMER; INTRINSIC MICROPOROSITY; GAS-ADSORPTION; POTENTIAL ADSORBENTS; NANOPOROUS POLYMERS; H-2 ADSORPTION; FRAMEWORK; NETWORKS; SITES AB Three porous organic polymers (POPs) containing carborane were successfully synthesized as adsorbents for gas storage applications, particularly for hydrogen storage. The current physisorption-based materials generally suffer from low isosteric heat of adsorption toward hydrogen molecules. To enhance the interaction between the adsorbent hydrogen, we prepared a series of POPs containing highly electron-deficient carborane components. These polymers have narrow pore size distribution with majority of the dimensions falling in the 0.7- to 1.0-nm range. High Brunauer-Emmett-Teller (BET)-specific surface areas up to 1023m2/g were obtained. Hydrogen adsorption capacities at 77, 195, and 298K were measured using a Sievert isotherm apparatus. The initial heat of adsorption for the carborane -containing polymers was calculated to be 810kJ/mol. Copyright (c) 2011 John Wiley & Sons, Ltd. C1 [Yuan, Shengwen; White, Desiree; Mason, Alex; Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Yuan, SW (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM syuan@anl.gov; djliu@anl.gov FU Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies program, US Department of Energy FX This work was supported by the Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies program, US Department of Energy. NR 50 TC 13 Z9 13 U1 5 U2 90 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0363-907X J9 INT J ENERG RES JI Int. J. Energy Res. PD JUN PY 2013 VL 37 IS 7 SI SI BP 732 EP 740 DI 10.1002/er.1886 PG 9 WC Energy & Fuels; Nuclear Science & Technology SC Energy & Fuels; Nuclear Science & Technology GA 149CA UT WOS:000319294400008 ER PT J AU Zhang, YHP Xu, JH Zhong, JJ AF Zhang, Yi-Heng Percival Xu, Jian-He Zhong, Jian-Jiang TI A new high-energy density hydrogen carriercarbohydratemight be better than methanol SO INTERNATIONAL JOURNAL OF ENERGY RESEARCH LA English DT Article DE biomass; carbohydrate; cell-free synthetic pathway biotransformation (SyPaB); hydrogen carrier; hydrogen production; hydrogen storage; sugar fuel cell vehicle ID 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE; CAPACITY CELLULOSIC ADSORBENT; SYNTHETIC ENZYMATIC PATHWAY; CATALYZED ORGANIC-SYNTHESIS; COFACTOR-REGENERATION; PHOSPHITE DEHYDROGENASE; BIOFUEL CELL; FUEL-CELL; BIOHYDROGEN PRODUCTION; CARBOHYDRATE ECONOMY AB High-density hydrogen storage in the form of renewable carbohydrate becomes possible because cell-free synthetic enzymatic pathway biotransformation (SyPaB) can 100% selectively convert carbohydrate and water to high-purity hydrogen and carbon dioxide under modest reaction conditions (below water boiling temperature and atmospheric pressure). Gravimetric density of carbohydrate (polysaccharide) is 14.8%H2mass, where water can be recycled from polymer electrolyte membrane fuel cells or 8.33%H2mass based on the water/carbohydrate slurry; volumetric density of carbohydrate is >100kg of H2/m3. Renewable carbohydrate would be more advantageous over methanol according to numerous criteria: substrate cost based on energy content (cost per gigajoule), energy conversion efficiency, catalyst cost and availability, sustainability, safety, toxicity, and applications. Huge potential markets of SyPaB from high-end applications (e.g., biohydrogenation for synthesis of chiral compounds and sugar batteries) to low-end applications (e.g., local satellite hydrogen generation stations, distributed electricity generators, and sugar fuel cell vehicles) would be motivation to solve the remaining obstacles soon. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Zhang, Yi-Heng Percival] Virginia Tech, Dept Biol Syst Engn, Lab Biofuels & Carbohydrates, Blacksburg, VA 24061 USA. [Xu, Jian-He] E China Univ Sci & Technol, Lab Biocatalysis & Bioproc, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China. [Zhong, Jian-Jiang] Shanghai Jiao Tong Univ, Sch Life Sci & Biotechnol, Key Lab Microbial Metab MOE, Shanghai 200240, Peoples R China. [Zhang, Yi-Heng Percival] Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA. [Zhang, Yi-Heng Percival] DOE Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. [Zhang, Yi-Heng Percival] Gate Fuels Inc, Blacksburg, VA 24060 USA. RP Zhang, YHP (reprint author), Virginia Tech, Dept Biol Syst Engn, 304 Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu RI Zhong, Jian-Jiang/D-8707-2012 OI Zhong, Jian-Jiang/0000-0002-2265-9338 FU Air Force Office of Scientific Research and MURI; DOE Bioenergy Science Center (BESC); USDA Biodesign and Bioprocess Center; China National Special Fund for Key Laboratories [2060204] FX This work was supported mainly by the Air Force Office of Scientific Research and MURI, and partially by DOE Bioenergy Science Center (BESC), USDA Biodesign and Bioprocess Center, and China National Special Fund for Key Laboratories (No. 2060204). NR 86 TC 8 Z9 8 U1 1 U2 60 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0363-907X J9 INT J ENERG RES JI Int. J. Energy Res. PD JUN PY 2013 VL 37 IS 7 SI SI BP 769 EP 779 DI 10.1002/er.2897 PG 11 WC Energy & Fuels; Nuclear Science & Technology SC Energy & Fuels; Nuclear Science & Technology GA 149CA UT WOS:000319294400013 ER PT J AU Sentchilo, V Mayer, AP Guy, L Miyazaki, R Tringe, SG Barry, K Malfatti, S Goessmann, A Robinson-Rechavi, M Van der Meer, JR AF Sentchilo, Vladimir Mayer, Antonia P. Guy, Lionel Miyazaki, Ryo Tringe, Susannah Green Barry, Kerrie Malfatti, Stephanie Goessmann, Alexander Robinson-Rechavi, Marc van der Meer, Jan R. TI Community-wide plasmid gene mobilization and selection SO ISME JOURNAL LA English DT Article DE metagenomic studies; mobilome ID WASTE-WATER TREATMENT; TREATMENT-PLANT; METAGENOMIC ANALYSIS; ANTIBIOTIC-RESISTANCE; PROVIDES EVIDENCE; BACTERIA; SYSTEM; ANNOTATION; DNA; MECHANISMS AB Plasmids have long been recognized as an important driver of DNA exchange and genetic innovation in prokaryotes. The success of plasmids has been attributed to their independent replication from the host's chromosome and their frequent self-transfer. It is thought that plasmids accumulate, rearrange and distribute nonessential genes, which may provide an advantage for host proliferation under selective conditions. In order to test this hypothesis independently of biases from culture selection, we study the plasmid metagenome from microbial communities in two activated sludge systems, one of which receives mostly household and the other chemical industry wastewater. We find that plasmids from activated sludge microbial communities carry among the largest proportion of unknown gene pools so far detected in metagenomic DNA, confirming their presumed role of DNA innovators. At a system level both plasmid metagenomes were dominated by functions associated with replication and transposition, and contained a wide variety of antibiotic and heavy metal resistances. Plasmid families were very different in the two metagenomes and grouped in deep-branching new families compared with known plasmid replicons. A number of abundant plasmid replicons could be completely assembled directly from the metagenome, providing insight in plasmid composition without culturing bias. Functionally, the two metagenomes strongly differed in several ways, including a greater abundance of genes for carbohydrate metabolism in the industrial and of general defense factors in the household activated sludge plasmid metagenome. This suggests that plasmids not only contribute to the adaptation of single individual prokaryotic species, but of the prokaryotic community as a whole under local selective conditions. C1 [Sentchilo, Vladimir; Mayer, Antonia P.; Miyazaki, Ryo; van der Meer, Jan R.] Univ Lausanne, Dept Fundamental Microbiol, CH-1015 Lausanne, Switzerland. [Guy, Lionel] Uppsala Univ, BMC, Uppsala, Sweden. [Tringe, Susannah Green; Barry, Kerrie; Malfatti, Stephanie] DOE Joint Genome Inst JGI, Walnut Creek, CA USA. [Goessmann, Alexander] Univ Bielefeld, CeBiTec BRF, D-33615 Bielefeld, Germany. [Robinson-Rechavi, Marc] Univ Lausanne, Dept Ecol & Evolut, Lausanne, Switzerland. [Mayer, Antonia P.; Robinson-Rechavi, Marc] Swiss Inst Bioinformat, CH-1015 Lausanne, Switzerland. RP Van der Meer, JR (reprint author), Univ Lausanne, Dept Fundamental Microbiol, CH-1015 Lausanne, Switzerland. EM janroelof.vandermeer@unil.ch RI van der Meer, Jan Roelof/G-6610-2012; Robinson-Rechavi, Marc/E-9727-2011; Guy, Lionel/B-4501-2008; OI Robinson-Rechavi, Marc/0000-0002-3437-3329; Guy, Lionel/0000-0001-8354-2398; Tringe, Susannah/0000-0001-6479-8427 FU Swiss Infectigen program; Community Sequencing Program of the U.S. Department of Energy Joint Genome Institute; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Lutz Krause for his initial help in the project. This work was supported by a grant from the Swiss Infectigen program and by the Community Sequencing Program of the U.S. Department of Energy Joint Genome Institute, supported by the Office of Science of the U.S. Department of Energy under contract No. DE-AC02-05CH11231. We gratefully acknowledge Nina Sanapareddy and Anthony Fodor (UNC Charlotte) for sharing with us the North Carolina WWTP metagenome sequences and for granting access to their data set on MG-RAST. We further thank Erika Yashiro for bioinformatic support. The computations were performed at the Vital-IT Center (http://www.vital-it.ch) for high-performance computing of the SIB Swiss Institute of Bioinformatics. NR 52 TC 32 Z9 32 U1 4 U2 59 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 J9 ISME J JI ISME J. PD JUN PY 2013 VL 7 IS 6 BP 1173 EP 1186 DI 10.1038/ismej.2013.13 PG 14 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 149PP UT WOS:000319333600011 PM 23407308 ER PT J AU Bandaru, V West, TO Ricciuto, DM Izaurralde, RC AF Bandaru, Varaprasad West, Tristram O. Ricciuto, Daniel M. Izaurralde, R. Cesar TI Estimating crop net primary production using national inventory data and MODIS-derived parameters SO ISPRS JOURNAL OF PHOTOGRAMMETRY AND REMOTE SENSING LA English DT Article DE Agriculture; Carbon flux; Crop production; Geospatial scaling; Phenology; Satellite remote sensing ID LIGHT-USE EFFICIENCY; EVERGREEN NEEDLELEAF FOREST; GROSS PRIMARY PRODUCTION; UNITED-STATES; TIME-SERIES; TERRESTRIAL ECOSYSTEM; SPATIAL-RESOLUTION; VEGETATION INDEXES; SOLAR-RADIATION; GREAT-PLAINS AB National estimates of spatially-resolved cropland net primary production (NPP) are needed for diagnostic and prognostic modeling of carbon sources, sinks, and net carbon flux between land and atmosphere. Cropland NPP estimates that correspond with existing cropland cover maps are needed to drive biogeochemical models at the local scale as well as national and continental scales. Existing satellite-based NPP products tend to underestimate NPP on croplands. An Agricultural Inventory-based Light Use Efficiency (AgI-LUE) framework was developed to estimate individual crop biophysical parameters for use in estimating crop-specific NPP over large multi-state regions. The method is documented here and evaluated for corn (Zea mays L) and soybean (Glycine max L Merr.) in Iowa and Illinois in 2006 and 2007. The method includes a crop-specific Enhanced Vegetation Index (EVI), shortwave radiation data estimated using the Mountain Climate Simulator (MTCLIM) algorithm, and crop-specific LUE per county. The combined aforementioned variables were used to generate spatially-resolved, crop-specific NPP that corresponds to the Cropland Data Layer (CDL) land cover product. Results from the modeling framework captured the spatial NPP gradient across croplands of Iowa and Illinois, and also represented the difference in NPP between years 2006 and 2007. Average corn and soybean NPP from AgI-LUE was 917 g C m(-2) yr(-1) and 409 g C m(-2) yr(-1), respectively. This was 2.4 and 1.1 times higher, respectively, for corn and soybean compared to the MOD17A3 NPP product. Site comparisons with flux tower data show AgI-LUE NPP in close agreement with tower-derived NPP, lower than inventory-based NPP, and higher than MOD17A3 NPP. The combination of new inputs and improved datasets enabled the development of spatially explicit and reliable NPP estimates for individual crops over large regional extents. (C) 2013 International Society for Photogrammetry and Remote Sensing, Inc. (ISPRS) Published by Elsevier B.V. All rights reserved. C1 [Bandaru, Varaprasad; West, Tristram O.; Izaurralde, R. Cesar] Univ Maryland, Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20740 USA. [Ricciuto, Daniel M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Bandaru, V (reprint author), Joint Global Change Res Inst, 5825 Univ Res Court, College Pk, MD 20740 USA. EM varaprasad.bandaru@pnnl.gov RI West, Tristram/C-5699-2013; Ricciuto, Daniel/I-3659-2016 OI West, Tristram/0000-0001-7859-0125; Ricciuto, Daniel/0000-0002-3668-3021 FU US National Aeronautics and Space Administration, Earth Science Division [NNH08AI06I]; U.S. Department of Energy [DE-AC05-76RL01830] FX We thank the US National Aeronautics and Space Administration, Earth Science Division for support of this research under Project NNH08AI06I. We thank Drs. Roser Matamala and Carl Bernacchi for use of flux site data that are distributed via the Carbon Dioxide Information Analysis Center, AmeriFlux Network. We appreciate Drs. Wilfred M. Post, Allison Thompson, and Craig Daughtry for their suggestions and support during this research. We thank Drs. R. Zurita-Milla and B. Bond-Lamberty for critical and helpful reviews of the manuscript. We thank anonymous reviewers for helpful reviews of the manuscript. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830. NR 78 TC 9 Z9 10 U1 2 U2 42 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0924-2716 EI 1872-8235 J9 ISPRS J PHOTOGRAMM JI ISPRS-J. Photogramm. Remote Sens. PD JUN PY 2013 VL 80 BP 61 EP 71 DI 10.1016/j.isprsjprs.2013.03.005 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary; Remote Sensing; Imaging Science & Photographic Technology SC Physical Geography; Geology; Remote Sensing; Imaging Science & Photographic Technology GA 148KI UT WOS:000319243100006 ER PT J AU Leyn, SA Kazanov, MD Sernova, NV Ermakova, EO Novichkov, PS Rodionov, DA AF Leyn, Semen A. Kazanov, Marat D. Sernova, Natalia V. Ermakova, Ekaterina O. Novichkov, Pavel S. Rodionov, Dmitry A. TI Genomic Reconstruction of the Transcriptional Regulatory Network in Bacillus subtilis SO JOURNAL OF BACTERIOLOGY LA English DT Article ID OSMOPROTECTANT GLYCINE BETAINE; CENTRAL METABOLISM; BINDING-SITES; BACTERIA; GENES; IDENTIFICATION; INFERENCE; DATABASE; REGULON; CONSERVATION AB The adaptation of microorganisms to their environment is controlled by complex transcriptional regulatory networks (TRNs), which are still only partially understood even for model species. Genome scale annotation of regulatory features of genes and TRN reconstruction are challenging tasks of microbial genomics. We used the knowledge-driven comparative-genomics approach implemented in the RegPredict Web server to infer TRN in the model Gram-positive bacterium Bacillus subtilis and 10 related Bacillales species. For transcription factor (TF) regulons, we combined the available information from the DBTBS database and the literature with bioinformatics tools, allowing inference of TF binding sites (TFBSs), comparative analysis of the genomic context of predicted TFBSs, functional assignment of target genes, and effector prediction. For RNA regulons, we used known RNA regulatory motifs collected in the Rfam database to scan genomes and analyze the genomic context of new RNA sites. The inferred TRN in B. subtilis comprises regulons for 129 TFs and 24 regulatory RNA families. First, we analyzed 66 TF regulons with previously known TFBSs in B. subtilis and projected them to other Bacillales genomes, resulting in refinement of TFBS motifs and identification of novel regulon members. Second, we inferred motifs and described regulons for 28 experimentally studied TFs with previously unknown TFBSs. Third, we discovered novel motifs and reconstructed regulons for 36 previously uncharacterized TFs. The inferred collection of regulons is available in the RegPrecise database (http://regprecise.lbl.gov/) and can be used in genetic experiments, metabolic modeling, and evolutionary analysis. C1 [Leyn, Semen A.; Rodionov, Dmitry A.] Sanford Burnham Med Res Inst, La Jolla, CA USA. [Leyn, Semen A.; Kazanov, Marat D.; Sernova, Natalia V.; Ermakova, Ekaterina O.; Rodionov, Dmitry A.] Russian Acad Sci, AA Kharkevich Inst Informat Transmiss Problems, Moscow, Russia. [Novichkov, Pavel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rodionov, DA (reprint author), Sanford Burnham Med Res Inst, La Jolla, CA USA. EM rodionov@burnham.org RI Kazanov, Marat/D-6381-2013; OI Kazanov, Marat/0000-0002-2314-5507; Rodionov, Dmitry/0000-0002-0939-390X FU Office of Science of the U.S. Department of Energy [DE-SC0004999]; Office of Biological and Environmental Research of the U.S. Department of Energy [DE-SC0004999]; SBMRI; LBNL; Russian Foundation for Basic Research [12-04-33003, 12-04-32098, 12-04-91332]; Ministry of Education and Science of the Russian Federation project [8049]; Program "Molecular and Cellular Biology" of the Russian Academy of Sciences; [8135] FX This work was supported by the Office of Science and Office of Biological and Environmental Research of the U.S. Department of Energy under contract DE-SC0004999 with SBMRI and LBNL. Additional funding was provided by the Russian Foundation for Basic Research (12-04-33003 to D.A.R., 12-04-32098 to S.A.L., and 12-04-91332 to E.O.E.), state contract 8135 (application 2012-1.2.2-12-000-1013-079), the Ministry of Education and Science of the Russian Federation project 8049, and the Program "Molecular and Cellular Biology" of the Russian Academy of Sciences. NR 61 TC 19 Z9 20 U1 1 U2 24 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD JUN PY 2013 VL 195 IS 11 BP 2463 EP 2473 DI 10.1128/JB.00140-13 PG 11 WC Microbiology SC Microbiology GA 142QE UT WOS:000318811300003 PM 23504016 ER PT J AU Slaybaugh, RN Evans, TM Davidson, GG Wilson, PPH AF Slaybaugh, R. N. Evans, T. M. Davidson, G. G. Wilson, P. P. H. TI Multigrid in energy preconditioner for Krylov solvers SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Preconditioning; Multigrid; Krylov; Neutron transport ID TRANSPORT; EQUATIONS AB We have added a new multigrid in energy (MGE) preconditioner to the Denovo discrete-ordinates radiation transport code. This preconditioner takes advantage of a new multilevel parallel decomposition. A multigroup Krylov subspace iterative solver that is decomposed in energy as well as space-angle forms the backbone of the transport solves in Denovo. The space-angle-energy decomposition facilitates scaling to hundreds of thousands of cores. The multigrid in energy preconditioner scales well in the energy dimension and significantly reduces the number of Krylov iterations required for convergence. This preconditioner is well-suited for use with advanced eigenvalue solvers such as Rayleigh Quotient Iteration and Arnoldi. (C) 2013 Elsevier Inc. All rights reserved. C1 [Slaybaugh, R. N.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Evans, T. M.; Davidson, G. G.] Oak Ridge Natl Lab, Radiat Transport Grp, Oak Ridge, TN 37831 USA. [Wilson, P. P. H.] Univ Wisconsin, Dept Nucl Engn & Engn Phys, Madison, WI 52706 USA. RP Slaybaugh, RN (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, 605 Benedum Hall,3700 OHara St, Pittsburgh, PA 15261 USA. EM rns37@pitt.edu OI Slaybaugh, Rachel/0000-0002-6296-6519 FU Office of Science of the U. S. Department of Energy [DE-AC05-00OR22725]; Naval Reactors Division of the U. S. Department of Energy FX This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. Additional thanks to the Rickover Fellowship Program in Nuclear Engineering sponsored by Naval Reactors Division of the U.S. Department of Energy. This fellowship sponsored the work from which this work is derived. NR 21 TC 3 Z9 3 U1 0 U2 14 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUN 1 PY 2013 VL 242 BP 405 EP 419 DI 10.1016/j.jcp.2013.02.012 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 145WK UT WOS:000319049800020 ER PT J AU Dimits, AM Cohen, BI Caflisch, RE Rosin, MS Ricketson, LF AF Dimits, A. M. Cohen, B. I. Caflisch, R. E. Rosin, M. S. Ricketson, L. F. TI Higher-order time integration of Coulomb collisions in a plasma using Langevin equations SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Monte-Carlo methods; Milstein method; Collision processes; Plasmas; Collisions; Computer applications ID SIMULATION; TRANSPORT AB The extension of Langevin-equation Monte-Carlo algorithms for Coulomb collisions from the conventional Euler-Maruyama time integration to the next higher order of accuracy, the Milstein scheme, has been developed, implemented, and tested. This extension proceeds via a formulation of the angular scattering directly as stochastic differential equations in the fixed-frame spherical-coordinate velocity variables. Results from the numerical implementation show the expected improvement [O(Delta t) vs. O(Delta t(1/2))] in the strong convergence rate both for the speed vertical bar v vertical bar and angular components of the scattering. An important result is that this improved convergence is achieved for the angular component of the scattering if and only if the "area-integral'' terms in the Milstein scheme are included. The resulting Milstein scheme is of value as a step towards algorithms with both improved accuracy and efficiency. These include both algorithms with improved convergence in the averages (weak convergence) and multi-time-level schemes. The latter have been shown to give a greatly reduced cost for a given overall error level when compared with conventional Monte-Carlo schemes, and their performance is improved considerably when the Milstein algorithm is used for the underlying time advance versus the Euler-Maruyama algorithm. A new method for sampling the area integrals is given which is a simplification of an earlier direct method and which retains high accuracy. This method, while being useful in its own right because of its relative simplicity, is also expected to considerably reduce the computational requirements for the direct conditional sampling of the area integrals that is needed for adaptive strong integration. (C) 2013 Elsevier Inc. All rights reserved. C1 [Dimits, A. M.; Cohen, B. I.] Lawrence Livermore Natl Lab, Livermore, CA 94511 USA. [Caflisch, R. E.; Rosin, M. S.; Ricketson, L. F.] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90036 USA. RP Dimits, AM (reprint author), Lawrence Livermore Natl Lab, L-637,POB 808, Livermore, CA 94511 USA. EM dimits1@llnl.gov FU US DOE [DE-AC52-07NA27344, DE-FG02-05ER25710] FX Work performed for US DOE by LLNL under Contract DE-AC52-07NA27344, and by UCLA under Grant DE-FG02-05ER25710. NR 35 TC 2 Z9 2 U1 0 U2 6 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 JUN 1 PY 2013 VL 242 BP 561 EP 580 DI 10.1016/j.jcp.2013.01.038 PG 20 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 145WK UT WOS:000319049800028 ER PT J AU Carlberg, K Farhat, C Cortial, J Amsallem, D AF Carlberg, Kevin Farhat, Charbel Cortial, Julien Amsallem, David TI The GNAT method for nonlinear model reduction: Effective implementation and application to computational fluid dynamics and turbulent flows SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Nonlinear model reduction; GNAT; Gappy POD; Petrov-Galerkin; CFD; Mesh sampling ID PARTIAL-DIFFERENTIAL-EQUATIONS; PROPER ORTHOGONAL DECOMPOSITION; REDUCED-ORDER MODELS; POSTERIORI ERROR-BOUNDS; REAL-TIME SOLUTION; INTERPOLATION METHOD; EMPIRICAL INTERPOLATION; EVOLUTION-EQUATIONS; BASIS APPROXIMATION; F-16 CONFIGURATION AB The Gauss-Newton with approximated tensors (GNAT) method is a nonlinear model-reduction method that operates on fully discretized computational models. It achieves dimension reduction by a Petrov-Galerkin projection associated with residual minimization; it delivers computational efficiency by a hyper-reduction procedure based on the 'gappy POD' technique. Originally presented in Ref. [1], where it was applied to implicit nonlinear structural-dynamics models, this method is further developed here and applied to the solution of a benchmark turbulent viscous flow problem. To begin, this paper develops global state-space error bounds that justify the method's design and highlight its advantages in terms of minimizing components of these error bounds. Next, the paper introduces a 'sample mesh' concept that enables a distributed, computationally efficient implementation of the GNAT method in finite-volume-based computational-fluid-dynamics (CFD) codes. The suitability of GNAT for parameterized problems is highlighted with the solution of an academic problem featuring moving discontinuities. Finally, the capability of this method to reduce by orders of magnitude the core-hours required for large-scale CFD computations, while preserving accuracy, is demonstrated with the simulation of turbulent flow over the Ahmed body. For an instance of this benchmark problem with over 17 million degrees of freedom, GNAT outperforms several other nonlinear model-reduction methods, reduces the required computational resources by more than two orders of magnitude, and delivers a solution that differs by less than 1% from its high-dimensional counterpart. (C) 2013 Elsevier Inc. All rights reserved. C1 [Carlberg, Kevin; Cortial, Julien] Sandia Natl Labs, Livermore, CA 94550 USA. [Farhat, Charbel; Amsallem, David] Stanford Univ, Stanford, CA 94305 USA. RP Carlberg, K (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9159, Livermore, CA 94550 USA. EM ktcarlb@sandia.gov; cfarhat@stanford.edu; jcortia@sandia.gov; amsallem@stanford.edu FU Motor Sports Division of the Toyota Motor Corporation [48737]; Army Research Laboratory through the Army High Performance Computing Research Center [W911NF-07-2-0027]; National Science Foundation Graduate Fellowship; National Defense Science and Engineering Graduate Fellowship; Sandia National Laboratories Truman Fellowship in National Security Science and Engineering; Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation); U.S. Department of Energy [DE-AC04-94AL85000] FX Most of this work was completed while the first and third authors were at Stanford University. The authors thank Phil Avery and Charbel Bou-Mosleh for their contributions to the parallel implementation of GNAT in AERO-F, and Matthew Zahr for his contribution to the Burgers' equation example. All authors acknowledge partial support by the Motor Sports Division of the Toyota Motor Corporation under Agreement Number 48737, and partial support by the Army Research Laboratory through the Army High Performance Computing Research Center under Cooperative Agreement W911NF-07-2-0027. The first author also acknowledges partial support by the National Science Foundation Graduate Fellowship, the National Defense Science and Engineering Graduate Fellowship, and an appointment to the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering. The Truman Fellowship is sponsored by Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) as Operator of Sandia National Laboratories under its U.S. Department of Energy Contract No. DE-AC04-94AL85000. The content of this publication does not necessarily reflect the position or policy of any of these institutions, and no official endorsement should be inferred. NR 52 TC 64 Z9 64 U1 1 U2 19 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUN 1 PY 2013 VL 242 BP 623 EP 647 DI 10.1016/j.jcp.2013.02.028 PG 25 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 145WK UT WOS:000319049800031 ER PT J AU Jakeman, JD Narayan, A Xiu, DB AF Jakeman, John D. Narayan, Akil Xiu, Dongbin TI Minimal multi-element stochastic collocation for uncertainty quantification of discontinuous functions SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Uncertainty quantification; Generalized polynomial chaos; Stochastic collocation; Multi-element; Discontinuous functions ID PARTIAL-DIFFERENTIAL-EQUATIONS; GENERALIZED POLYNOMIAL CHAOS; EDGE-DETECTION; INTERPOLATION AB We propose a multi-element stochastic collocation method that can be applied in high-dimensional parameter space for functions with discontinuities lying along manifolds of general geometries. The key feature of the method is that the parameter space is decomposed into multiple elements defined by the discontinuities and thus only the minimal number of elements are utilized. On each of the resulting elements the function is smooth and can be approximated using high-order methods with fast convergence properties. The decomposition strategy is in direct contrast to the traditional multi-element approaches which define the sub-domains by repeated splitting of the axes in the parameter space. Such methods are more prone to the curse-of-dimensionality because of the fast growth of the number of elements caused by the axis based splitting. The present method is a two-step approach. Firstly a discontinuity detector is used to partition parameter space into disjoint elements in each of which the function is smooth. The detector uses an efficient combination of the high-order polynomial annihilation technique along with adaptive sparse grids, and this allows resolution of general discontinuities with a smaller number of points when the discontinuity manifold is low-dimensional. After partitioning, an adaptive technique based on the least orthogonal interpolant is used to construct a generalized Polynomial Chaos surrogate on each element. The adaptive technique reuses all information from the partitioning and is variance-suppressing. We present numerous numerical examples that illustrate the accuracy, efficiency, and generality of the method. When compared against standard locally-adaptive sparse grid methods, the present method uses many fewer number of collocation samples and is more accurate. (C) 2013 Elsevier Inc. All rights reserved. C1 [Jakeman, John D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Narayan, Akil] Univ Massachusetts Dartmouth, Dept Math, N Dartmouth, MA 02747 USA. [Xiu, Dongbin] Purdue Univ, Dept Math, W Lafayette, IN 47907 USA. RP Jakeman, JD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jdjakem@sandia.gov; akil.narayan@umassd.edu; dxiu@purdue.edu OI Narayan, Akil/0000-0002-5914-4207 FU US Department of Energys National Nuclear Security Administration [DE-AC04-94AL85000]; AFOSR; DOE/NNSA; NSF FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.; This was supported by AFOSR, DOE/NNSA, and NSF. NR 33 TC 9 Z9 9 U1 0 U2 13 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUN 1 PY 2013 VL 242 BP 790 EP 808 DI 10.1016/j.jcp.2013.02.035 PG 19 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 145WK UT WOS:000319049800040 ER PT J AU Pan, W Tartakovsky, AM Monaghan, JJ AF Pan, W. Tartakovsky, A. M. Monaghan, J. J. TI Smoothed particle hydrodynamics non-Newtonian model for ice-sheet and ice-shelf dynamics SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Ice sheet; Smoothed particle hydrodynamics; Grounding line; Non-Newtonian fluid ID FREE-SURFACE; FLUID-FLOW; SIMULATION; SPH AB We propose a new three-dimensional smoothed particle hydrodynamics (SPH) non-Newtonian model to study coupled ice-sheet and ice-shelf dynamics. Most existing ice-sheet numerical models use grid-based Eulerian discretizations, and are usually restricted to shallow ice-sheet and ice-shelf approximations of the momentum-conservation equation. SPH, a fully Lagrangian particle method, solves the full momentum-conservation equation. Numerical accuracy of the proposed SPH model is first verified by simulating Poiseuille flow, a plane shear flow with a free surface and the propagation of a blob of ice along a horizontal surface. Next, the SPH model is used to investigate the grounding-line dynamics of a ice sheet/shelf. The steady position of the grounding line, obtained from our SPH simulations, is in good agreement with laboratory observations for a wide range of bedrock slopes, ice-to-fluid density ratios, and flux. We examine the effect of non-Newtonian behavior of ice on the grounding-line dynamics. The non-Newtonian constitutive model is based on Glen's law for a creeping flow of a polycrystalline ice. Finally, we investigate the effect of a bedrock geometry on a steady-state position of the grounding line. (C) 2012 Published by Elsevier Inc. C1 [Pan, W.; Tartakovsky, A. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Monaghan, J. J.] Monash Univ, Sch Math Sci, Clayton, Vic 3800, Australia. RP Tartakovsky, AM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM alexandre.tartarkovsky@pnnl.gov FU Scientific Discovery through Advanced Computing Program of the Office of Science, US Department of Energy; US Department of Energy by Battelle [DE-AC06-76RL01830] FX The authors gratefully acknowledge funding support by the Scientific Discovery through Advanced Computing Program of the Office of Science, US Department of Energy. The Pacific Northwest National Laboratory is operated for the US Department of Energy by Battelle under Contract DE-AC06-76RL01830. The authors thank John A. Serkowski, for his help in generating 3D figures. NR 37 TC 8 Z9 9 U1 1 U2 34 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUN 1 PY 2013 VL 242 BP 828 EP 842 DI 10.1016/j.jcp.2012.10.027 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 145WK UT WOS:000319049800042 ER PT J AU Stout, L Walker, M Lauret, J Goasguen, S Murphy, MA AF Stout, Lance Walker, Matthew Lauret, Jerome Goasguen, Sebastien Murphy, Michael A. TI Using Kestrel and XMPP to Support the STAR Experiment in the Cloud SO JOURNAL OF GRID COMPUTING LA English DT Article DE Cloud computing; Many Tasks Computing; Virtual Organization Clusters; Job scheduling; XMPP; STAR; CERN ID INFRASTRUCTURE AB This paper presents the results and experiences of adapting and improving the Many-Task Computing (MTC) framework Kestrel for use with bag of tasks applications and the STAR experiment in particular. Kestrel is a lightweight, highly available job scheduling framework for Virtual Organization Clusters (VOCs) constructed in the cloud. Kestrel uses the Extensible Message and Presence Protocol (XMPP) for increasing MTC platform scalability and mitigating faults in Wide Area Network (WAN) communications. Kestrel's architecture is based upon pilot job frameworks used extensively in Grid computing, with fault-tolerant communications inspired by command-and-control botnets. The extensibility of XMPP has allowed development of protocols for identifying manager nodes, discovering the capabilities of worker agents, and for distributing tasks. Presence notifications provided by XMPP allow Kestrel to monitor the global state of the pool and to perform task dispatching based on worker availability. Since its inception, Kestrel has been modified based on its performance managing operational scientific workloads from the STAR group at Brookhaven National Laboratories. STAR provided a virtual machine image with applications for simulating proton collisions using PYTHIA and GEANT3. A Kestrel-based Virtual Organization Cluster, created on top of Clemson University's Palmetto cluster, CERN, and Amazon EC2, was able to provide over 400,000 CPU hours of computation over the course of a month using an average of 800 virtual machine instances every day, generating nearly seven terabytes of data and the largest PYTHIA production run that STAR has achieved to date. C1 [Stout, Lance] Andyet LLC, Richland, WA 99352 USA. [Goasguen, Sebastien] Clemson Univ, Sch Comp, Clemson, SC 29634 USA. [Walker, Matthew] MIT, Cambridge, MA 02139 USA. [Lauret, Jerome] Brookhaven Natl Lab, Upton, NY 11973 USA. [Murphy, Michael A.] Coastal Carolina Univ, Conway, SC 29528 USA. RP Murphy, MA (reprint author), Coastal Carolina Univ, Conway, SC 29528 USA. EM lance@andyet.net; mwalker@mit.edu; jlauret@bnl.gov; sebgoa@clemson.edu; mmurphy2@coastal.edu NR 45 TC 1 Z9 1 U1 0 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-7873 EI 1572-9184 J9 J GRID COMPUT JI J. Comput. PD JUN PY 2013 VL 11 IS 2 BP 249 EP 264 DI 10.1007/s10723-013-9253-8 PG 16 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA 148FV UT WOS:000319229700005 ER PT J AU Li, HJ Qing, Q Kumar, R Wyman, CE AF Li, Hongjia Qing, Qing Kumar, Rajeev Wyman, Charles E. TI Chromatographic determination of 1, 4-beta-xylooligosaccharides of different chain lengths to follow xylan deconstruction in biomass conversion SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY LA English DT Article DE Xylooligosaccharides; Degree of polymerization; HPAEC-PAD; Response factor; Chromatography ID ANION-EXCHANGE CHROMATOGRAPHY; PULSED AMPEROMETRIC DETECTION; MOLECULAR-WEIGHT DISTRIBUTION; ELECTROCHEMICAL DETECTION; QUANTITATIVE-ANALYSIS; CORN STOVER; HYDROLYSIS; ETHANOL; INHIBITORS; PROGRESS AB Xylooligosaccharides released in hydrothermal pretreatment of lignocellulosic biomass can be purified for high-value products or further hydrolyzed into sugars for fermentation or chemical conversion. In addition, characterization of xylooligosaccharides is vital to understand hemicellulose structure and removal mechanisms in pretreatment of cellulosic biomass. In this study, gel permeation chromatography was applied to fractionate xylooligosaccharides produced from birchwood xylan according to their specific degree of polymerization (DP). Then, each fraction was identified by high-performance anion exchange chromatography with pulsed amperometric detection (HPAEC-PAD) and matrix-assisted laser desorption/ionization-time of flight mass spectrometry (MALDI-TOF-MS); and their concentrations were determined by a downscaled post-hydrolysis method. Based on PAD responses and sugar concentrations for each fraction, a series of response factors were developed that can be used to quantify xylooligosaccharides of DP from 2 to 14 without standards. The resulting approach can profile xylooligosaccharides and help gain new insights into biomass deconstruction. C1 [Li, Hongjia; Qing, Qing; Kumar, Rajeev; Wyman, Charles E.] Univ Calif Riverside, Chem & Environm Engn Dept, Riverside, CA 92507 USA. [Li, Hongjia; Qing, Qing; Kumar, Rajeev; Wyman, Charles E.] Univ Calif Riverside, Ctr Environm Res & Technol, Riverside, CA 92507 USA. [Li, Hongjia; Kumar, Rajeev; Wyman, Charles E.] BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Wyman, CE (reprint author), Univ Calif Riverside, Chem & Environm Engn Dept, Riverside, CA 92507 USA. EM charles.wyman@ucr.edu OI Kumar, Rajeev/0000-0001-7523-0108 FU BioEnergy Science Center (BESC), a US Department of Energy Bioenergy Research Center; Office of Biological and Environmental Research in the DOE Office of Science; Mascoma Corporation in Lebanon, NH; Ford Motor Company FX This research was funded by the BioEnergy Science Center (BESC), a US Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. We want to also acknowledge support for some of this research by Mascoma Corporation in Lebanon, NH. The authors especially appreciate Malcolm O'Neil and Trina D. Saffold at the Complex Carbohydrate Research Center of the University of Georgia for MALDI-TOF-MS characterization. We would also like to thank Professor Eugene A. Nothnagel in the Botany and Plant Science Department of the University of California, Riverside for valuable discussion on response factors. Gratitude is extended to the Ford Motor Company for funding the Chair in Environmental Engineering at the Center for Environmental Research and Technology of the Bourns College of Engineering at UCR that augments support for many projects such as this. NR 27 TC 1 Z9 1 U1 3 U2 52 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1367-5435 J9 J IND MICROBIOL BIOT JI J. Ind. Microbiol. Biotechnol. PD JUN PY 2013 VL 40 IS 6 BP 551 EP 559 DI 10.1007/s10295-013-1254-x PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 147KU UT WOS:000319166500003 PM 23508454 ER PT J AU Murph, SEH Murphy, CJ AF Murph, Simona E. Hunyadi Murphy, Catherine J. TI Patchy silica-coated silver nanowires as SERS substrates SO JOURNAL OF NANOPARTICLE RESEARCH LA English DT Article DE Patchy nanostructures; SERS; Silver nanowires; Silica ID ENHANCED-RAMAN-SCATTERING; PLASMON RESONANCE-SPECTRUM; SELF-ASSEMBLED MONOLAYERS; GOLD NANOPARTICLES; METAL NANOPARTICLES; CHEMICAL-ANALYSIS; COLLOIDAL SILVER; SINGLE-MOLECULE; SPECTROSCOPY; SHAPE AB We report a class of core-shell nanomaterials that can be used as efficient surface-enhancement Raman scattering (SERS) substrates. The core consists of silver nanowires, prepared through a chemical reduction process, that are used to capture 4-mercaptobenzoic acid (4-MBA), a model analyte. The shell was prepared through a modified Stober method and consists of patchy or full silica coats. The formation of silica coats was monitored via transmission electron microscopy, UV-visible spectroscopy, and phase-analysis light-scattering for measuring effective surface charge. Surprisingly, the patchy silica-coated silver nanowires are better SERS substrate than silver nanowires; nanomolar concentration of 4-MBA can be detected. In addition, "nano-matryoshka" configurations were used to quantitate/explore the effect of the electromagnetic field at the tips of the nanowire ("hot spots") in the Raman scattering experiment. C1 [Murph, Simona E. Hunyadi] Savannah River Natl Lab, Aiken, SC 29808 USA. [Murphy, Catherine J.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. RP Murph, SEH (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM simona.murph@srnl.doe.gov OI Murphy, Catherine/0000-0001-7066-5575 NR 68 TC 4 Z9 4 U1 3 U2 104 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1388-0764 J9 J NANOPART RES JI J. Nanopart. Res. PD JUN PY 2013 VL 15 IS 6 AR 1607 DI 10.1007/s11051-013-1607-4 PG 14 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 152FM UT WOS:000319516400001 ER PT J AU Murphy, KA Washton, NM Ryan, JV Pantano, CG Mueller, KT AF Murphy, Kelly A. Washton, Nancy M. Ryan, Joseph V. Pantano, Carlo G. Mueller, Karl T. TI Solid-state NMR examination of alteration layers on nuclear waste glasses SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Solid-state NMR; Alteration layers; Nuclear waste glass; AFCI; Corrosion ID LIME BOROSILICATE GLASSES; LONG-TERM CORROSION; CHEMICAL DURABILITY; ALTERATION KINETICS; AQUEOUS-SOLUTIONS; SURFACE-LAYERS; SON68 GLASS; CPMAS NMR; RATE LAW; DISSOLUTION AB Solid-state nuclear magnetic resonance (NMR) is a powerful tool for probing the role and significance of alteration layers in determining the kinetics for the corrosion of nuclear waste glass. NMR methods are used to probe the chemical structure of the alteration layers to elucidate information about their chemical complexity, leading to increased insight into the mechanism of altered layer formation. Two glass compositions were examined in this study: a glass preliminarily designed for nuclear waste immobilization (called AFCI) and a simplified version of this AFCI glass (which we call SA1R). Powdered glasses with controlled and known particle sizes were corroded in ASTM type I water at 90 degrees C for periods of one and five months with a glass surface-area to solution-volume ratio of 100,000 m(-1). H-1-Si-29 cross-polarization Carr-Purcell-Meiboom-Gill (CP-CPMG) magic angle spinning (MAS) NMR, H-1-Al-27 CP-MAS NMR, H-1-B-11 CP-MAS NMR, and H-1-Na-23 CP-MAS NMR experiments provided isolated structural information about the alteration layers, which differ in structure from that of the pristine glass. Both glasses studied here develop alteration layers composed primarily of Si-[IV] species. Aluminum is also retained in the alteration layers, perhaps facilitated by the observed increase in coordination from Al-[IV] to Al-[VI], which correlates with a loss of charge balancing cations. The mechanism of increasing coordination appears to occur through an unstable Al-[v] intermediate. H-1-B-11 CP-MAS NMR observations indicated a retention of boron in the hydrated glass layers, which has not been characterized by previous work. For the AFCI glass, secondary phase formation begins during the corrosion times considered here, and these new phases are detected within the alteration layers. We identify new phases (termed as precursor phases) as crystalline sodium metasilicates. An important finding is that simple glass compositions, while providing general trends about the formation of alteration layers, do not account for all of the various reaction products that occur in the corrosion of more complex nuclear waste glass compositions. (C) 2013 Elsevier B.V. All rights reserved. C1 [Murphy, Kelly A.; Mueller, Karl T.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Washton, Nancy M.; Mueller, Karl T.] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Ryan, Joseph V.] Pacific NW Natl Lab, Radiol Mat & Technol Dev Grp, Richland, WA 99352 USA. [Pantano, Carlo G.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Mueller, KT (reprint author), Penn State Univ, Dept Chem, 104 Chem Bldg, University Pk, PA 16802 USA. EM karl.mueller@pnnl.gov RI Mueller, Karl/A-3637-2010 FU Nuclear Energy University Program (NEUP) [00101956]; Department of Energy's Office of Biological and Environmental Research FX This work was funded by the Nuclear Energy University Program (NEUP) under contract number 00101956. We would like to acknowledge the EMSL NMR user facility at PNNL and its personnel, especially Jinfeng Lai and Sarah Burton, for their assistance in data collection. A portion 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. We would also like to thank Henry Gong for ICP-AES measurements and Julie Anderson for BET measurements. NR 47 TC 5 Z9 5 U1 7 U2 51 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD JUN 1 PY 2013 VL 369 BP 44 EP 54 DI 10.1016/j.jnoncrysol.2013.03.021 PG 11 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 151WX UT WOS:000319492200009 ER PT J AU Hwang, JK Hamilton, JH Ramayya, AV Luo, YX AF Hwang, J. K. Hamilton, J. H. Ramayya, A. V. Luo, Y. X. TI Search for possible one- and two-phonon octupole ;vibrational states in Sb-134, Te-134,Te-135, I-135,I-136, Xe-137 and Ba-139 near Sn-132 SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID YRAST STATES; EXCITATIONS; FISSION; NUCLEI; GD-147; MODEL AB High spin states of Sb-134, Te-134,Te-135, I-135,I-136, Xe-137 and Ba-139 near Sn-132 are reanalysed in order to search for octupole phonon vibrational states. New spins and parities are tentatively assigned to the 2203.9 keV state in Xe-137 and the 1976.6 and 2091.7 keV states in Ba-139 from the state energy plots of the N = 82 and 83 nuclei. High spin states of Sb-134, Te-134,Te-135, I-135,I-136, Xe-137 and Ba-139 connected by E1, E3/M2 and E3 transitions are proposed, for the first time, as zero-, one-and two-phonon octupole vibrational (POV) states. One- and two-POV states in Sb-134 and Te-135 are built on a 7 (pi g(7/2)nu f(7/2)) state and a 19/2(-) (nu f(7/2) circle times 6(1)(+)) state, respectively. One-POV states built on the 19/2(-) (nu f(7/2) .circle times 6(1)(+)) and the 21/2(-) (nu h(9/2) circle times 6(2)(+)) states coexist in Xe-137. Then, one- and two-POV states in Ba-139 are built only on the 21/2(-)(nu h(9/2) circle times 6(2)(+)) state. One- and two-POV states in Te-134 are built on the 6(2)(+) state with some mixing with the 6(1)(+) state. C1 [Hwang, J. K.; Hamilton, J. H.; Ramayya, A. V.; Luo, Y. X.] Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA. [Luo, Y. X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hwang, JK (reprint author), Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA. EM jae-kwang.hwang@vanderbilt.edu FU US Department of Energy [DE-FG05-88ER40407] FX The work at Vanderbilt University was supported by the US Department of Energy under grant and contract no. DE-FG05-88ER40407. NR 20 TC 2 Z9 2 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUN PY 2013 VL 40 IS 6 AR 065106 DI 10.1088/0954-3899/40/6/065106 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 147TD UT WOS:000319189100013 ER PT J AU Li, Y YarKhan, A Dongarra, J Seymour, K Hurault, A AF Li, Yinan YarKhan, Asim Dongarra, Jack Seymour, Keith Hurault, Aurelie TI Enabling workflows in GridSolve: request sequencing and service trading SO JOURNAL OF SUPERCOMPUTING LA English DT Article DE Grid computing; Workflow applications; Service trading AB GridSolve employs a RPC-based client-agent-server model for solving computational problems. There are two deficiencies associated with GridSolve when a computational problem essentially forms a workflow consisting of a sequence of tasks with data dependencies between them. First, intermediate results are always passed through the client, resulting in unnecessary data transport. Second, since the execution of each individual task is a separate RPC session, it is difficult to enable any potential parallelism among tasks. This paper presents a request sequencing technique that addresses these deficiencies and enables workflow executions. Building on the request sequencing work, one way to generate workflows is by taking higher level service requests and decomposing them into a sequence of simpler service requests using a technique called service trading. A service trading component is added to GridSolve to take advantage of the new dynamic request sequencing. The features described here include automatic DAG construction and data dependency analysis, direct interserver data transfer, parallel task execution capabilities, and a service trading component. C1 [Li, Yinan] Virginia Polytech Inst & State Univ, Falls Church, VA USA. [YarKhan, Asim; Dongarra, Jack; Seymour, Keith] Univ Tennessee, Knoxville, TN 37996 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Dongarra, Jack] Univ Manchester, Manchester, Lancs, England. [Hurault, Aurelie] Univ Toulouse, Toulouse, France. RP YarKhan, A (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM yarkhan@eecs.utk.edu RI Dongarra, Jack/E-3987-2014 FU National Aeronautics and Space Administration's Earth Science Technology Office, Computation Technologies Project [NCC5-626] FX This research made use of Montage, funded by the National Aeronautics and Space Administration's Earth Science Technology Office, Computation Technologies Project, under Cooperative Agreement Number NCC5-626 between NASA and the California Institute of Technology. Montage is maintained by the NASA/IPAC Infrared Science Archive. NR 15 TC 0 Z9 0 U1 0 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-8542 J9 J SUPERCOMPUT JI J. Supercomput. PD JUN PY 2013 VL 64 IS 3 BP 1133 EP 1152 DI 10.1007/s11227-010-0549-1 PG 20 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 146FO UT WOS:000319075500027 ER PT J AU Korte, AR Lee, YJ AF Korte, Andrew R. Lee, Young Jin TI Multiplex Mass Spectrometric Imaging with Polarity Switching for Concurrent Acquisition of Positive and Negative Ion Images SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE MALDI imaging; Multiplex MS imaging; Phospholipids; Brain lipids; Polarity switching ID BRAIN-TISSUE; TOF-SIMS; MATRIX; LIPIDS; SUBLIMATION; INFORMATION; LIPIDOMICS; PEPTIDES AB We have recently developed a multiplex mass spectrometry imaging (MSI) method which incorporates high mass resolution imaging and MS/MS and MS3 imaging of several compounds in a single data acquisition utilizing a hybrid linear ion trap-Orbitrap mass spectrometer (Perdian and Lee, Anal. Chem. 82, 9393-9400, 2010). Here we extend this capability to obtain positive and negative ion MS and MS/MS spectra in a single MS imaging experiment through polarity switching within spiral steps of each raster step. This methodology was demonstrated for the analysis of various lipid class compounds in a section of mouse brain. This allows for simultaneous imaging of compounds that are readily ionized in positive mode (e.g., phosphatidylcholines and sphingomyelins) and those that are readily ionized in negative mode (e.g., sulfatides, phosphatidylinositols and phosphatidylserines). MS/MS imaging was also performed for a few compounds in both positive and negative ion mode within the same experimental set-up. Insufficient stabilization time for the Orbitrap high voltage leads to slight deviations in observed masses, but these deviations are systematic and were easily corrected with a two-point calibration to background ions. C1 [Korte, Andrew R.; Lee, Young Jin] US DOE, Ames Lab, Ames, IA 50011 USA. [Korte, Andrew R.; Lee, Young Jin] Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. RP Lee, YJ (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM yjlee@iastate.edu RI Lee, Young Jin/F-2317-2011 OI Lee, Young Jin/0000-0002-2533-5371 FU US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; DOE [DE-AC02-07CH11358] FX The authors thank Emile de Leeuw at Thermo Fisher Scientific for providing them a software patch and for helpful conversations. This work was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The Ames Laboratory is operated by Iowa State University under DOE Contract DE-AC02-07CH11358. NR 22 TC 10 Z9 10 U1 1 U2 41 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD JUN PY 2013 VL 24 IS 6 BP 949 EP 955 DI 10.1007/s13361-013-0613-1 PG 7 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 143CO UT WOS:000318844100018 PM 23592078 ER PT J AU Garnich, MR Klymyshyn, NA AF Garnich, Mark R. Klymyshyn, Nicholas A. TI Multiscale analysis of stamp forming of a woven composite SO JOURNAL OF THERMOPLASTIC COMPOSITE MATERIALS LA English DT Article DE Stamp forming; finite element method; woven composite; multiscale analysis; wrinkling ID MECHANICAL-BEHAVIOR; SIMULATION; BENCHMARK AB The stamp forming of a woven composite with thermoplastic matrix was investigated in this study. A mesoscale finite element model of a unit cell of a 2 x 2 twill weave of pre-impregnated tows was used to estimate the effective in-plane shear properties for modeling forming processes and predicting formability. In-plane shear stiffness was shown to be a controlling factor in the formability of unconsolidated textile sheets. The stamp forming of a cone-shaped part was modeled for comparison with the experiments. Results show that the simplified process modeling scheme has the potential to predict issues with wrinkling during die closure. Furthermore, the present work suggests that complex representations of the relatively small fiber direction strains may be unwarranted for this type of process modeling. C1 [Garnich, Mark R.] Univ Wyoming, Dept Mech Engn, Laramie, WY 82071 USA. [Klymyshyn, Nicholas A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Garnich, MR (reprint author), Univ Wyoming, Dept Mech Engn, 1000 E Univ Ave, Laramie, WY 82071 USA. EM garnich@uwyo.edu FU U.S. Department of Energy [DE-AC06-76RL01830] FX This work was supported by the U.S. Department of Energy [Contract DE-AC06-76RL01830]. NR 16 TC 1 Z9 1 U1 3 U2 19 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0892-7057 J9 J THERMOPLAST COMPOS JI J. Thermoplast. Compos. Mater. PD JUN PY 2013 VL 26 IS 5 BP 640 EP 662 DI 10.1177/0892705711428654 PG 23 WC Materials Science, Composites SC Materials Science GA 149UR UT WOS:000319347400004 ER PT J AU Williams, PT AF Williams, Paul T. TI Walking and Running are Associated with Similar Reductions in Cataract Risk SO MEDICINE AND SCIENCE IN SPORTS AND EXERCISE LA English DT Article DE VISION; PREVENTION; EPIDEMIOLOGY; EXERCISE ID CORONARY-HEART-DISEASE; AGE-RELATED CATARACT; BEAVER DAM EYE; PHYSICAL-ACTIVITY; VIGOROUS EXERCISE; LENS OPACITIES; SPORTS-MEDICINE; MALE RUNNERS; ADIPOSITY; DISTANCE AB Purpose: Habitual running has been associated with reduced risk of cataract development in one prospective study. The purposes of the current analyses were to provide further evidence of this potentially important benefit of vigorous exercise and to test whether moderate exercise (e.g., walking) provides as significant and equivalent reduction in cataract risk as vigorous exercise (e.g., running). Methods: Cox proportional hazard analyses of self-reported, physician-diagnosed incident cataracts versus baseline energy expenditure (METs) in 32,610 runners and 14,917 walkers during a 6.2-yr follow-up. Results are reported as hazard ratios (HR), percent risk reductions (100 (HR - 1)), and 95% confidence intervals (95% CI). Results: Runners and walkers reported 733 and 1074 incident cataracts during follow-up, respectively. When adjusted for sex, race, age, education, smoking, and intakes of meat, fruit, and alcohol, lower cataract risk was significantly associated with both running (HR = 0.960 per MET.h.d(-1), 95% CI 0.935-0.986) and walking (HR = 0.918 per MET.h.d(-1), 95% CI = 0.881-0.956), with no significant difference in the risk reduction per MET-hours per day between running and walking or between men and women. Compared with running or walking at or below guideline levels (<= 1.8 MET.h.d(-1)), incident cataract risk was significantly lower for running or walking 1.8-3.6 (16.4% lower, 95% CI = 6.4%-25.3%), 3.6-5.4 (19.0% lower, 95% CI = 5.6%-30.4%), 5.4-7.2 (26.2% lower, 95% CI = 11.2%-38.7%), 7.2-9.0 (34.1% lower, 95% CI = 10.0%-51.2%), and >= 9 MET.h.d(-1) (41.6% lower, 95% CI = 19.8%-57.4%). Conclusion: Moderate (walking) and vigorous (running) exercise were both significantly associated with lower cataract risk and their effects similar. Cataract risk appears to decrease linearly with increasing exercise energy expenditure through 9 MET.h.d(-1). C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Donner 464,1 Cycloton Rd, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU National Heart, Lung, and Blood Institute [HL094717] FX This research was supported by the National Heart, Lung, and Blood Institute (grant no. HL094717) and was conducted at the Ernest Orlando Lawrence Berkeley National Laboratory (Department of Energy DE-AC03-76SF00098 to the University of California). NR 40 TC 6 Z9 6 U1 2 U2 11 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0195-9131 J9 MED SCI SPORT EXER JI Med. Sci. Sports Exerc. PD JUN PY 2013 VL 45 IS 6 BP 1089 EP 1096 DI 10.1249/MSS.0b013e31828121d0 PG 8 WC Sport Sciences SC Sport Sciences GA 149MF UT WOS:000319323300010 PM 23274600 ER PT J AU Hale, LM Wong, BM Zimmerman, JA Zhou, XW AF Hale, L. M. Wong, B. M. Zimmerman, J. A. Zhou, X. W. TI Atomistic potentials for palladium-silver hydrides SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID EMBEDDED-ATOM METHOD; STACKING-FAULT ENERGIES; HYDROGEN-DIFFUSION; ELASTIC CONSTANTS; PD NANOPARTICLES; FCC METALS; X-RAY; ALLOYS; AG; ABSORPTION AB New embedded-atom method potentials for the ternary palladium-silver-hydrogen system are developed by extending a previously developed palladium-hydrogen potential. The ternary potentials accurately capture the heat of mixing and structural properties associated with solid solution alloys of palladium-silver. Stable hydrides are produced with properties that smoothly transition across the compositions. Additions of silver to palladium are predicted to alter the properties of the hydrides by decreasing the miscibility gap and increasing the likelihood of hydrogen atoms occupying tetrahedral interstitial sites over octahedral interstitial sites. C1 [Hale, L. M.; Zimmerman, J. A.; Zhou, X. W.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. [Wong, B. M.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94550 USA. RP Hale, LM (reprint author), Sandia Natl Labs, Mech Mat Dept, POB 969, Livermore, CA 94550 USA. EM lmhale@sandia.gov RI Wong, Bryan/B-1663-2009 OI Wong, Bryan/0000-0002-3477-8043 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 the Lockheed Martin Corporation for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000 NR 56 TC 4 Z9 4 U1 0 U2 28 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2013 VL 21 IS 4 AR 045005 DI 10.1088/0965-0393/21/4/045005 PG 23 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 147UX UT WOS:000319194400005 ER PT J AU Lim, H Weinberger, CR Battaile, CC Buchheit, TE AF Lim, H. Weinberger, C. R. Battaile, C. C. Buchheit, T. E. TI Application of generalized non-Schmid yield law to low-temperature plasticity in bcc transition metals SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID MOLYBDENUM SINGLE-CRYSTALS; CENTERED CUBIC METALS; FLOW-STRESS; SCREW DISLOCATIONS; STRAIN-RATE; ORIENTATION DEPENDENCE; LATTICE FRICTION; DEFORMATION; SLIP; TANTALUM AB In this work, a generalized yield criterion that captures non-Schmid effects is proposed and implemented into a finite element crystal plasticity model to simulate plastic deformation of single and polycrystals. The parameters required for the constitutive formulation were calibrated to deformation experiments on single crystals. This model is used to investigate the effects of non-Schmid effects on the predictions of the stress-strain response and texture evolution in body-centered-cubic (bcc) metals. The non-Schmid contributions are required to accurately predict the stress-strain response of single crystals, and the concomitant non-associativity of the flow also increases the tendency of localization in polycrystal deformations. C1 [Lim, H.; Weinberger, C. R.; Battaile, C. C.; Buchheit, T. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lim, H (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. EM hnlim@sandia.gov OI Weinberger, Christopher/0000-0001-9550-6992 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 68 TC 25 Z9 25 U1 1 U2 37 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2013 VL 21 IS 4 AR 045015 DI 10.1088/0965-0393/21/4/045015 PG 23 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 147UX UT WOS:000319194400015 ER PT J AU Mendelev, MI Deng, C Schuh, CA Srolovitz, DJ AF Mendelev, M. I. Deng, C. Schuh, C. A. Srolovitz, D. J. TI Comparison of molecular dynamics simulation methods for the study of grain boundary migration SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID MOBILITY; DEPENDENCE; MOHLES; MOTION; MODEL; ZHOU AB In the present study, grain boundary (GB) mobility was determined by molecular dynamics (MD) simulations using two different techniques: the applied strain method and the adapted interface random walk method. The first method involves a driving force while the second method does not. Nevertheless, both methods led to essentially the same values of the GB mobility. This shows that the GB mobility is independent of the nature of the driving force, provided that it is low enough that the linear velocity-driving force relationship is properly sampled. The case studied here can be viewed as a validated reference case that can be used in future studies to test new techniques to determine the GB mobility. For this purpose we provide the full information about the interatomic potential we employed and the initial atomic configurations. Finally, we use the obtained results to discuss whether any existing MD simulation data agree with experimental data on pure metals. C1 [Mendelev, M. I.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. [Deng, C.] Univ Manitoba, Dept Mech & Mfg Engn, Winnipeg, MB R3T 5V6, Canada. [Schuh, C. A.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Srolovitz, D. J.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Srolovitz, D. J.] Univ Penn, Dept Mech Engn & Appl Mech, Philadelphia, PA 19104 USA. RP Mendelev, MI (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. EM mendelev@ameslab.gov FU Department of Energy, Office of Basic Energy Sciences [DE-AC02-07CH11358]; University of Manitoba, Canada; Solid State Solar Thermal Energy Conversion (S3TEC) Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001299] FX MIM gratefully acknowledges useful discussions with Dr D H Kim. Work at the Ames Laboratory was supported by the Department of Energy, Office of Basic Energy Sciences, under Contract No DE-AC02-07CH11358. CD was supported by the University of Manitoba, Canada. CAS acknowledges the support of the Solid State Solar Thermal Energy Conversion (S3TEC) Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under DE-SC0001299. NR 26 TC 16 Z9 16 U1 2 U2 62 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2013 VL 21 IS 4 AR 045017 DI 10.1088/0965-0393/21/4/045017 PG 13 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 147UX UT WOS:000319194400017 ER PT J AU Yan, QR Barros, T Visperas, PR Deindl, S Kadlecek, TA Weiss, A Kuriyan, J AF Yan, Qingrong Barros, Tiago Visperas, Patrick R. Deindl, Sebastian Kadlecek, Theresa A. Weiss, Arthur Kuriyan, John TI Structural Basis for Activation of ZAP-70 by Phosphorylation of the SH2-Kinase Linker SO MOLECULAR AND CELLULAR BIOLOGY LA English DT Article ID T-CELL-RECEPTOR; PROTEIN-TYROSINE KINASE; CRYSTAL-STRUCTURE; 3-DIMENSIONAL STRUCTURE; MOLECULAR SIMULATION; SIGNAL-TRANSDUCTION; ITAM PEPTIDE; SH2 DOMAINS; C-SRC; BINDING AB Serial activation of the tyrosine kinases Lck and ZAP-70 initiates signaling downstream of the T cell receptor. We previously reported the structure of an autoinhibited ZAP-70 variant in which two regulatory tyrosine residues (315 and 319) in the SH2-kinase linker were replaced by phenylalanine. We now present a crystal structure of ZAP-70 in which Tyr 315 and Tyr 319 are not mutated, leading to the recognition of a five-residue sequence register error in the SH2-kinase linker of the original crystallo-graphic model. The revised model identifies distinct roles for these two tyrosines. As seen in a recently reported structure of the related tyrosine kinase Syk, Tyr 315 of ZAP-70 is part of a hydrophobic interface between the regulatory apparatus and the kinase domain, and the integrity of this interface would be lost upon engagement of doubly phosphorylated peptides by the SH2 domains. Tyr 319 is not necessarily dislodged by SH2 engagement, which activates ZAP-70 only similar to 5-fold in vitro. In contrast, phosphorylation by Lck activates ZAP-70 similar to 100-fold. This difference is due to the ability of Tyr 319 to suppress ZAP-70 activity even when the SH2 domains are dislodged from the kinase domain, providing stringent control of ZAP-70 activity downstream of Lck. C1 [Yan, Qingrong; Barros, Tiago; Visperas, Patrick R.; Deindl, Sebastian; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Yan, Qingrong; Barros, Tiago; Visperas, Patrick R.; Deindl, Sebastian; Kuriyan, John] Univ Calif Berkeley, Dept Chem, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Yan, Qingrong; Barros, Tiago; Visperas, Patrick R.; Deindl, Sebastian; Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Kadlecek, Theresa A.; Weiss, Arthur] Univ Calif San Francisco, Dept Med, Rosalind Russell Med Res Ctr Arthrit, San Francisco, CA USA. [Kadlecek, Theresa A.; Weiss, Arthur] Univ Calif San Francisco, Howard Hughes Med Inst, San Francisco, CA 94143 USA. [Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu OI Kadlecek, Theresa/0000-0002-1020-8169; Barros, Tiago/0000-0002-9807-7625; Deindl, Sebastian/0000-0001-6807-8654 FU NIH [PO1 AI091580]; Cancer Research Institute-Irvington Institute Fellowship Program FX This work was supported in part by NIH grant PO1 AI091580 to A.W. and J.K. Q.Y. is supported by the Cancer Research Institute-Irvington Institute Fellowship Program. NR 44 TC 19 Z9 19 U1 1 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0270-7306 J9 MOL CELL BIOL JI Mol. Cell. Biol. PD JUN PY 2013 VL 33 IS 11 BP 2188 EP 2201 DI 10.1128/MCB.01637-12 PG 14 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 142BO UT WOS:000318771200008 PM 23530057 ER PT J AU Fox, JM Jess, P Jambusaria, RB Moo, GM Liphardt, J Clark, DS Blanch, HW AF Fox, Jerome M. Jess, Phillip Jambusaria, Rakesh B. Moo, Genny M. Liphardt, Jan Clark, Douglas S. Blanch, Harvey W. TI A single-molecule analysis reveals morphological targets for cellulase synergy SO NATURE CHEMICAL BIOLOGY LA English DT Article ID CARBOHYDRATE-BINDING MODULE; ACIDOTHERMUS-CELLULOLYTICUS; CRYSTALLINE CELLULOSE; NONCRYSTALLINE CELLULOSE; DEGRADATION; BIOMASS; RECOGNITION; SPECIFICITY; AFFINITY; ENZYMES AB The mechanisms of enzyme activity on solid substrates are not well understood. Unlike enzyme catalysis in aqueous solutions, enzyme activity on surfaces is complicated by adsorption steps and structural heterogeneities that make enzyme-substrate interactions difficult to characterize. Cellulase enzymes, which catalyze the depolymerization of cellulose, show binding specificities for different cellulose surface morphologies, but the influence of these specificities on the activity of multienzyme mixtures has remained unclear. We developed a metric to quantify binding-target arrangements determined by photoactivated localization microscopy, and we used that metric to show that combinations of cellulases designed to bind within similar but nonidentical morphologies can have synergistic activity. This phenomenon cannot be explained with the binary crystalline or amorphous classifications commonly used to characterize cellulase-binding targets. Our results reveal a strategy for improving the activity of cellulolytic mixtures and demonstrate a versatile method for investigating protein organization on heterogeneous surfaces. C1 [Fox, Jerome M.; Jess, Phillip; Liphardt, Jan; Clark, Douglas S.; Blanch, Harvey W.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Fox, Jerome M.; Clark, Douglas S.; Blanch, Harvey W.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Jess, Phillip; Liphardt, Jan] Univ Calif Berkeley, Calif Inst Quantitat Biosci QB3, Berkeley, CA 94720 USA. [Jambusaria, Rakesh B.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Moo, Genny M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Liphardt, Jan] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Liphardt, Jan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Fox, JM (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. EM liphardt@berkeley.edu; clark@berkeley.edu; blanch@berkeley.edu OI FOX, JEROME/0000-0002-3739-1899; Liphardt, Jan/0000-0003-2835-5025 FU US National Science Foundation; Energy Biosciences Institute [50000029463] FX We thank S. Bauer for his assistance in conducting the compositional analysis on cotton and miscanthus. We thank A.L. McEvoy for providing image processing software and J.W. Chu, A.S. Gross, K. Haas and A.L. McEvoy for helpful discussions. J.M.F. is the recipient of a US National Science Foundation predoctoral fellowship and J.L., H.W.B and D.S.C. acknowledge support from the Energy Biosciences Institute (grant no. 50000029463). NR 44 TC 30 Z9 31 U1 5 U2 61 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD JUN PY 2013 VL 9 IS 6 BP 356 EP + DI 10.1038/nchembio.1227 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 149NS UT WOS:000319328200006 PM 23563526 ER PT J AU Brandizzi, F Barlowe, C AF Brandizzi, Federica Barlowe, Charles TI Organization of the ER-Golgi interface for membrane traffic control SO NATURE REVIEWS MOLECULAR CELL BIOLOGY LA English DT Review ID ENDOPLASMIC-RETICULUM EXPORT; COPI-COATED VESICLES; LEAF EPIDERMAL-CELLS; BREFELDIN-A; EXIT SITES; INTERMEDIATE COMPARTMENT; PLANT-CELLS; PROTEIN SECRETION; TRANSPORT VESICLES; LIVING CELLS AB Coat protein complex I (COPI) and COPII are required for bidirectional membrane trafficking between the endoplasmic reticulum (ER) and the Golgi. While these core coat machineries and other transport factors are highly conserved across species, high-resolution imaging studies indicate that the organization of the ER-Golgi interface is varied in eukaryotic cells. Regulation of COPII assembly, in some cases to manage distinct cellular cargo, is emerging as one important component in determining this structure. Comparison of the ER-Golgi interface across different systems, particularly mammalian and plant cells, reveals fundamental elements and distinct organization of this interface. A better understanding of how these interfaces are regulated to meet varying cellular secretory demands should provide key insights into the mechanisms that control efficient trafficking of proteins and lipids through the secretory pathway. C1 [Brandizzi, Federica] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. [Brandizzi, Federica] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Barlowe, Charles] Dartmouth Med Sch, Dept Biochem, Hanover, NH 03755 USA. RP Barlowe, C (reprint author), Dartmouth Med Sch, Dept Biochem, Hanover, NH 03755 USA. EM charles.barlowe@dartmouth.edu FU US National Institutes of Health [R01 GM101038, R01 GM52549]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. DOE [DE-FG02-91ER20021]; NASA [NNX12AN71G]; National Science Foundation [MCB 0948584, 1243792] FX F.B is supported by grants from the US National Institutes of Health (R01 GM101038), Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. DOE (DE-FG02-91ER20021), NASA (NNX12AN71G) and the National Science Foundation (MCB 0948584; 1243792). C.B. acknowledges support from the US National Institutes of Health (R01 GM52549). NR 146 TC 111 Z9 112 U1 8 U2 92 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1471-0072 J9 NAT REV MOL CELL BIO JI Nat. Rev. Mol. Cell Biol. PD JUN PY 2013 VL 14 IS 6 BP 382 EP 392 DI 10.1038/nrm3588 PG 11 WC Cell Biology SC Cell Biology GA 151LO UT WOS:000319462200014 PM 23698585 ER PT J AU Kuhlman, KL AF Kuhlman, Kristopher L. TI Review of inverse Laplace transform algorithms for Laplace-space numerical approaches SO NUMERICAL ALGORITHMS LA English DT Article DE Numerical Laplace transform inversion; Boundary element method; Diffusion; Helmholtz equation; Laplace-space numerical methods; Groundwater modeling ID TRANSPORT AB A boundary element method (BEM) simulation is used to compare the efficiency of numerical inverse Laplace transform strategies, considering general requirements of Laplace-space numerical approaches. The two-dimensional BEM solution is used to solve the Laplace-transformed diffusion equation, producing a time-domain solution after a numerical Laplace transform inversion. Motivated by the needs of numerical methods posed in Laplace-transformed space, we compare five inverse Laplace transform algorithms and discuss implementation techniques to minimize the number of Laplace-space function evaluations. We investigate the ability to calculate a sequence of time domain values using the fewest Laplace-space model evaluations. We find Fourier-series based inversion algorithms work for common time behaviors, are the most robust with respect to free parameters, and allow for straightforward image function evaluation re-use across at least a log cycle of time. C1 Sandia Natl Labs, Repository Performance Dept, Carlsbad, NM USA. RP Kuhlman, KL (reprint author), Sandia Natl Labs, Repository Performance Dept, 4100 Natl Pk Highway, Carlsbad, NM USA. EM klkuhlm@sandia.gov RI Kuhlman, Kristopher/I-7283-2012 OI Kuhlman, Kristopher/0000-0003-3397-3653 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 36 TC 23 Z9 23 U1 1 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1017-1398 J9 NUMER ALGORITHMS JI Numer. Algorithms PD JUN PY 2013 VL 63 IS 2 BP 339 EP 355 DI 10.1007/s11075-012-9625-3 PG 17 WC Mathematics, Applied SC Mathematics GA 149XB UT WOS:000319353600006 ER PT J AU Strassner, B Chang, K AF Strassner, Bernd, II Chang, Kai TI Microwave Power Transmission: Historical Milestones and System Components SO PROCEEDINGS OF THE IEEE LA English DT Article DE Microwave power transmission (MPT); rectenna; rectifying antenna; retro-directivity; solar power satellite (SPS); space solar power (SSP) ID POLARIZED RECTIFYING ANTENNA; RETRODIRECTIVE ARRAY SYSTEM; 5.8-GHZ RECTENNA; WIRELESS; DESIGN AB Microwave power transmission (MPT) is the wireless transfer of large amounts of power at microwave frequencies from one location to another. MPT research has been driven primarily by the desire to remotely power unmanned aerial vehicles (UAVs) and by the concept of space solar power (SSP) first conceived by Dr. Peter Glaser of the Arthur D. Little Company in 1968. This paper attempts to reveal, in adequate chronological detail, many of the MPT milestones reached over the past 50 years, including those related to SSP. Key components to various MPT systems are presented as well as design schemes for achieving efficient MPT. Special focus is given to rectenna design since this particular MPT component has received the most attention from researchers over the last couple of decades. C1 [Strassner, Bernd, II] Sandia Natl Labs, ISR EM & Sensor Technol, Albuquerque, NM 87123 USA. [Chang, Kai] Texas A&M Univ, Electromagnet Lab, College Stn, TX 77840 USA. RP Strassner, B (reprint author), Sandia Natl Labs, ISR EM & Sensor Technol, Albuquerque, NM 87123 USA. EM bhstras@sandia.gov; chang@ece.tamu.edu FU NASA's Jet Propulsion Laboratory, Pasadena, CA, USA; NASA's Marshall Space Flight Center, Huntsville, AL, USA FX This work was supported by both NASA's Jet Propulsion Laboratory, Pasadena, CA, USA and NASA's Marshall Space Flight Center, Huntsville, AL, USA. NR 51 TC 35 Z9 40 U1 2 U2 38 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9219 J9 P IEEE JI Proc. IEEE PD JUN PY 2013 VL 101 IS 6 SI SI BP 1379 EP 1396 DI 10.1109/JPROC.2013.2246132 PG 18 WC Engineering, Electrical & Electronic SC Engineering GA 147DY UT WOS:000319147000012 ER PT J AU Lignell, DO Kerstein, AR Sun, G Monson, EI AF Lignell, D. O. Kerstein, A. R. Sun, G. Monson, E. I. TI Mesh adaption for efficient multiscale implementation of one-dimensional turbulence SO THEORETICAL AND COMPUTATIONAL FLUID DYNAMICS LA English DT Article DE Turbulence; Numerical simulation; Mesh adaption; Multiscale methods ID STOCHASTIC SIMULATION; NUMERICAL-SIMULATION; MODEL FORMULATION; FLAMES; FLOWS AB One-Dimensional Turbulence (ODT) is a stochastic model for turbulent flow simulation. In an atmospheric context, it is analogous to single-column modeling (SCM) in that it lives on a 1D spatial domain, but different in that it time advances individual flow realizations rather than ensemble-averaged quantities. The lack of averaging enables a physically sound multiscale treatment, which is useful for resolving sporadic localized phenomena, as seen in stably stratified regimes, and sharp interfaces, as observed where a convective layer encounters a stable overlying zone. In such flows, the relevant scale range is so large that it is beneficial to enhance model performance by introducing an adaptive mesh. An adaptive-mesh algorithm that provides the desired performance characteristics is described and demonstrated, and its implications for the ODT advancement scheme are explained. C1 [Lignell, D. O.; Sun, G.; Monson, E. I.] Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. [Kerstein, A. R.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Lignell, DO (reprint author), Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. EM davidlignell@byu.edu; alan.kerstein@gmail.com FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; United States Department of Energy [DE-AC04-94-AL85000] FX This work was partially supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94-AL85000. NR 30 TC 15 Z9 15 U1 0 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0935-4964 EI 1432-2250 J9 THEOR COMP FLUID DYN JI Theor. Comput. Fluid Dyn. PD JUN PY 2013 VL 27 IS 3-4 BP 273 EP 295 DI 10.1007/s00162-012-0267-9 PG 23 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 148VR UT WOS:000319276600005 ER PT J AU Schmidt, H Kerstein, AR Wunsch, S Nedelec, R Sayler, BJ AF Schmidt, Heiko Kerstein, Alan R. Wunsch, Scott Nedelec, Renaud Sayler, Ben J. TI Analysis and numerical simulation of a laboratory analog of radiatively induced cloud-top entrainment SO THEORETICAL AND COMPUTATIONAL FLUID DYNAMICS LA English DT Article DE ODT; Entrainment; Turbulence; Clouds; Convection ID ONE-DIMENSIONAL-TURBULENCE; MODEL FORMULATION; BUOYANCY-REVERSAL; MIXED LAYERS; INSTABILITY; CONVECTION; CLOSURE; FLOWS AB Numerical simulations using the one-dimensional-turbulence (ODT) model are compared to water-tank measurements emulating convection and entrainment in stratiform clouds driven by cloud-top cooling. Measured dependences of the entrainment rate on Richardson number were numerically reproduced for water trials in which the initial stratification is due to temperature differences. For an additional set of trials where the initial stratification is obtained by adding dextrose to the lower layer of the tank, measured dependences of the entrainment rate on Richardson number were partially reproduced, and importantly, the model also captures the measured sensitivity of entrainment to molecular transport. Additional parameter variations suggest other dependences of the entrainment rate. Analysis suggests possible qualitative differences between laboratory and cloud entrainment behaviors that might be testable using ODT. C1 [Schmidt, Heiko] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Kerstein, Alan R.] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA. [Wunsch, Scott] Johns Hopkins Univ, Appl Phys Lab, Baltimore, MD 21218 USA. [Nedelec, Renaud] Open Cascade SAS, Paris, France. [Sayler, Ben J.] Black Hills State Univ, Spearfish, SD 57799 USA. RP Schmidt, H (reprint author), Brandenburg Tech Univ Cottbus, Cottbus, Germany. EM schmidth@tu-cottbus.de RI Schmidt, Heiko/J-6835-2016 OI Schmidt, Heiko/0000-0002-6475-6646 FU German Science Foundation [SCHM-1682/4]; Department of Energy Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; United States Department of Energy [DE-AC04-94-AL85000] FX The work was partially supported by the German Science Foundation under Grant SCHM-1682/4 (SPP MetStroem). The work was also partially supported by the Department of Energy Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94-AL85000. NR 43 TC 2 Z9 2 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0935-4964 J9 THEOR COMP FLUID DYN JI Theor. Comput. Fluid Dyn. PD JUN PY 2013 VL 27 IS 3-4 BP 377 EP 395 DI 10.1007/s00162-012-0288-4 PG 19 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 148VR UT WOS:000319276600010 ER PT J AU Li, JW Chen, X Xu, WH Nam, CY Shi, Y AF Li, Jinwei Chen, Xi Xu, Weihe Nam, Chang-Yong Shi, Yong TI TiO2 nanofiber solid-state dye sensitized solar cells with thin TiO2 hole blocking layer prepared by atomic layer deposition SO THIN SOLID FILMS LA English DT Article DE Solid-state dye sensitized solar cells; Titanium dioxide; Nanofibers; Atomic layer deposition ID CHARGE RECOMBINATION; ORGANIC-DYE; PERFORMANCE; EFFICIENCY; ANATASE; FILMS; ELECTROLYTE AB We incorporated a thin but structurally dense TiO2 layer prepared by atomic layer deposition (ALD) as an efficient hole blocking layer in the TiO2 nanofiber based solid-state dye sensitized solar cell (ss-DSSC). The nanofiber ss-DSSCs having ALD TiO2 layers displayed increased open circuit voltage, short circuit current density, and power conversion efficiency compared to control devices with blocking layers prepared by spin-coating liquid TiO2 precursor. We attribute the improved photovoltaic device performance to the structural integrity of ALD-coated TiO2 layer and consequently enhanced hole blocking effect that results in reduced dark leakage current and increased charge carrier lifetime. (C) 2013 Elsevier B.V. All rights reserved. C1 [Li, Jinwei; Chen, Xi; Xu, Weihe; Shi, Yong] Stevens Inst Technol, Dept Mech Engn, Hoboken, NJ 07030 USA. [Nam, Chang-Yong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Nam, CY (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM cynam@bnl.gov; Yong.Shi@stevens.edu RI Nam, Chang-Yong/D-4193-2009 OI Nam, Chang-Yong/0000-0002-9093-4063 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Foundation through NSF [DMR-0922522] FX This research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-98CH10886. This research effort used microscope resources partially funded by the National Science Foundation through NSF grant DMR-0922522. We also thank the Micro-Devices Laboratory at Stevens Institute of Technology for their help. NR 47 TC 5 Z9 6 U1 0 U2 76 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD JUN 1 PY 2013 VL 536 BP 275 EP 279 DI 10.1016/j.tsf.2013.03.029 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 144XI UT WOS:000318974800044 ER PT J AU Gershon, TS Sigdel, AK Marin, AT van Hest, MFAM Ginley, DS Friend, RH MacManus-Driscoll, JL Berry, JJ AF Gershon, Talia S. Sigdel, Ajaya K. Marin, Andrew T. van Hest, Maikel F. A. M. Ginley, David S. Friend, Richard H. MacManus-Driscoll, Judith L. Berry, Joseph J. TI Improved fill factors in solution-processed ZnO/Cu2O photovoltaics SO THIN SOLID FILMS LA English DT Article DE Zinc oxide; Cupper (I) oxide; Solar cells; Fill factor; Nucleation ID SOLAR-CELLS; ZNO; ELECTRODEPOSITION AB The influence of semiconductor layer morphology on the performance of solution-processed ZnO/Cu2O photovoltaics has been examined. ZnO films were prepared using three highly scalable, cost-effective methods: electrodeposition, zinc acetate decomposition, and diethyl zinc decomposition. To optimize device performance, it is found that a low density of nano-scale pores in the ZnO layer and large grains in the Cu2O is necessary. Through optimizing the ZnO morphology, one of the highest fill factors observed to date (up to 54%) in solution-processed ZnO/Cu2O was achieved. This value is comparable with the fill factor of the record-efficiency ZnO/Cu2O device, which was prepared with much larger energy inputs. (C) 2013 Elsevier B.V. All rights reserved. C1 [Gershon, Talia S.; Marin, Andrew T.; MacManus-Driscoll, Judith L.] Univ Cambridge, Dept Mat Sci, Cambridge, England. [Sigdel, Ajaya K.] Univ Denver, Dept Phys & Astron, Denver, CO USA. [van Hest, Maikel F. A. M.; Ginley, David S.; Berry, Joseph J.] Natl Renewable Energy Lab, Golden, CO USA. [Friend, Richard H.] Univ Cambridge, Dept Phys, Cambridge, England. RP Gershon, TS (reprint author), Univ Cambridge, Dept Mat Sci, Cambridge, England. EM talia.gershon@gmail.com FU University of Cambridge Nano Doctoral Training Center (NanoDTC); Gates Cambridge Trust; Center for Interface Science: Solar Electric Materials, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001084] FX The authors would like to thank Dr. Paul Ndione for his help with spectroscopic ellipsometry and XRD measurements and analysis, as well as Dr. Jiri Orava for his help with AFM characterization. Special thanks to the University of Cambridge Nano Doctoral Training Center (NanoDTC) and the Gates Cambridge Trust for funding this work and collaboration. The contributions of A. Sigdel, D. Ginley, and J. Berry were supported by the Center for Interface Science: Solar Electric Materials, 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-SC0001084. JLM-D is grateful to the European Research Council (ERC-2009-AdG 247276 NOVOX). NR 22 TC 13 Z9 13 U1 2 U2 91 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD JUN 1 PY 2013 VL 536 BP 280 EP 285 DI 10.1016/j.tsf.2013.03.041 PG 6 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 144XI UT WOS:000318974800045 ER PT J AU Chen, SQ Guan, J Levine, MD Xie, LN Yowargana, P AF Chen, Shuqin Guan, Jun Levine, Mark D. Xie, Linna Yowargana, P. TI Elaboration of energy saving renovation measures for urban existing residential buildings in north China based on simulation and site investigations SO BUILDING SIMULATION LA English DT Article DE residential buildings in north China; energy efficiency retrofit; retrofit packages; energy saving and economic benefits ID EFFICIENCY RETROFIT; HEATING REGION AB It is necessary to determine whether to implement a retrofit measure or not based on its energy saving and economic benefits, when conducting a retrofit project. The common way to do that is to set up a building simulation model and calculate its energy saving and economic benefits. Because of the great discrepancy between the actuality and the building simulation model, it is very important to use the factual energy use to calibrate the model, so as to accurately predict the benefits of retrofit measures. Although the energy efficiency retrofit of residential buildings in north China is implemented in a large scale, it seldom knows whether the commonly used retrofit packages are optimized. Therefore, a typical residential building is selected in Beijing, and the energy saving and economic benefits of different retrofit measures are analyzed using a simulation model calibrated with its actual space heating energy use, and the optimized retrofit packages are put forward. Results shows the retrofit of space heating system is a very attractive measure due to its relatively low investment but good energy saving benefit, and roof retrofit is also cost effective, while window retrofit and wall retrofit are not economic to conduct separately. Four optimized retrofit packages are figured out to realize the 50% and 65% reductions of space heating intensity required in the energy efficiency standards, which have less investment costs compared with currently widely used packages, and the retrofit packages for the 65% reduction is more cost-effective than the packages for the 50% reduction. C1 [Chen, Shuqin] Tongji Univ, Res Ctr Green Bldg & New Energy, Shanghai 200092, Peoples R China. [Guan, Jun] Tsinghua Univ, Sch Architecture, Beijing 100084, Peoples R China. [Levine, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Xie, Linna] Beijing Bldg Technol Dev Co, Beijing 100027, Peoples R China. [Yowargana, P.] Azure Int Technol & Dev Beijing Ltd, Beijing 100027, Peoples R China. RP Chen, SQ (reprint author), Tongji Univ, Res Ctr Green Bldg & New Energy, Shanghai 200092, Peoples R China. EM hn_csq@126.com FU Fundamental Research Funds for the Central Universities [2011KJ035] FX The authors appreciate the great support from the local construction committee in Changping, Beijing, and the US Energy Foundation, for the coordination in this project. This paper is funded by "the Fundamental Research Funds for the Central Universities (No. 2011KJ035)". NR 20 TC 4 Z9 4 U1 0 U2 22 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1996-3599 J9 BUILD SIMUL-CHINA JI Build. Simul. PD JUN PY 2013 VL 6 IS 2 BP 113 EP 125 DI 10.1007/s12273-013-0114-y PG 13 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA 143JR UT WOS:000318864300002 ER PT J AU Jonke, AP Steeb, JL Josowicz, M Janata, J AF Jonke, Alex P. Steeb, Jennifer L. Josowicz, Mira Janata, Jiri TI Atomic Clusters of Pd and AuNPdM in Polyaniline SO CATALYSIS LETTERS LA English DT Article DE Atomic palladium deposition; Polyanilinepalladium composite; Bimetallic atomic clusters; atomic metal catalysts ID ALKALINE-MEDIUM; SELECTIVE OXIDATION; AB-INITIO; PALLADIUM; CATALYSTS; GOLD; AU; ELECTROOXIDATION; ALCOHOLS; HYDROGENATION AB The previously described cyclic pathway method for deposition of atomic metals has been used to create Pd1-6 atomic clusters and Au1-5Pd1 and Au1-4Pd2 bimetallic atomic clusters in polyaniline (PANI). The controlled deposition of predetermined atomic size clusters of metals has been examined by testing the electrochemical oxidation of n-propanol in 1 M NaOH. The oxidation peak currents from the cyclic voltammograms were found to follow the same trend as the changes of the calculated HOMO-LUMO gap energies. The FTIR signature of PANI for these films also followed the calculated trend. This study also looks at the effects of atomic arrangement in the atomic structure on the support matrix of PANI. The results presented here have shown that the cyclic pathway is a versatile method for the atomic deposition of single metal, bimetallic, or even trimetallic atomic clusters in PANI. C1 [Jonke, Alex P.; Josowicz, Mira; Janata, Jiri] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Steeb, Jennifer L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Janata, J (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM jiri.janata@chemistry.gatech.edu FU US Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Georgia Research Alliance FX The ICP-MS contributions to the submitted manuscript were performed by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. Funding provided for this work from the Georgia Research Alliance is greatly appreciated. NR 29 TC 6 Z9 6 U1 4 U2 36 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD JUN PY 2013 VL 143 IS 6 BP 531 EP 538 DI 10.1007/s10562-013-1005-7 PG 8 WC Chemistry, Physical SC Chemistry GA 142LQ UT WOS:000318799300003 ER PT J AU Feng, H Qian, Y Gallagher, FJ Wu, MY Zhang, WG Yu, LZ Zhu, QZ Zhang, KW Liu, CJ Tappero, R AF Feng, Huan Qian, Yu Gallagher, Frank J. Wu, Meiyin Zhang, Weiguo Yu, Lizhong Zhu, Qingzhi Zhang, Kewei Liu, Chang-Jun Tappero, Ryan TI Lead accumulation and association with Fe on Typha latifolia root from an urban brownfield site SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH LA English DT Article DE Brownfield; Iron plaque; Lead contamination; Synchrotron technique; Wetland plant; Typha latifolia ID HEAVY-METAL CONTAMINATION; RIVER INTERTIDAL ZONE; X-RAY-FLUORESCENCE; IRON PLAQUE; RICE ROOTS; PHRAGMITES-AUSTRALIS; SOLUTION CULTURE; ASTER-TRIPOLIUM; AQUATIC PLANTS; WETLAND PLANTS AB Synchrotron X-ray microfluorescence and X-ray absorption near-edge microstructure spectroscopy techniques were applied to Typha latifolia (cattail) root sections and rhizosphere soils collected from a brownfield site in New Jersey to investigate lead (Pb) accumulation in T. latifolia roots and the role of iron (Fe) plaque in controlling Pb uptake. We found that Pb and Fe spatial distribution patterns in the root tissues are similar with both metals present at high concentrations mainly in the epidermis and at low concentrations in the vascular tissue (xylem and phloem), and the major Pb and Fe species in T. latifolia root are Pb(II) and Fe(III) regardless of concentration levels. The sequestration of Pb by T. latifolia roots suggests a potential low-cost remediation method (phytostabilization) to manage Pb-contaminated sediments for brownfield remediation while performing wetland rehabilitation. C1 [Feng, Huan; Qian, Yu] Montclair State Univ, Dept Earth & Environm Studies, Montclair, NJ 07043 USA. [Gallagher, Frank J.] Rutgers State Univ, Urban Forestry Program, Dept Ecol Evolut & Nat Resources, New Brunswick, NJ 08901 USA. [Wu, Meiyin] Montclair State Univ, Dept Biol & Microbiol, Montclair, NJ 07043 USA. [Zhang, Weiguo; Yu, Lizhong] E China Normal Univ, State Key Lab Estuarine & Coastal Res, Shanghai 200062, Peoples R China. [Zhu, Qingzhi] SUNY Stony Brook, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA. [Zhang, Kewei; Liu, Chang-Jun] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Tappero, Ryan] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Feng, H (reprint author), Montclair State Univ, Dept Earth & Environm Studies, Montclair, NJ 07043 USA. EM fengh@mail.montclair.edu FU Margaret and Herman Sokol Foundation; China Scholarship Council; Montclair State University Separate Budget Award; U.S. Department of Energy-Geosciences [DE-FG02-92ER14244]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Foundation [MCB-1051675] FX This work was supported in part by the Margaret and Herman Sokol Foundation (H.F.), China Scholarship Council (Y.Q.), and Montclair State University Separate Budget Award. Portions of this work were performed at Beamline X27A, National Synchrotron Light Source (NSLS), Brookhaven National Laboratory. X27A is supported in part by the U.S. Department of Energy-Geosciences (DE-FG02-92ER14244 to The University of Chicago-CARS). Use of the NSLS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-98CH10886. The part of work in Biology Department, Brookhaven National Laboratory (K.Z and C.J.L.) was supported in part by National Science Foundation through grant MCB-1051675 to C.J.L. We are grateful to Professor Elena Maestri, Editor of Environmental Science and Pollution Research, and two anonymous reviewers who offered constructive comments and suggestions on an earlier draft of this paper. The authors also wish to thank Christina Soman and Jikai Xu of Montclair State University for their assistance in the field work. NR 52 TC 10 Z9 11 U1 4 U2 64 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0944-1344 J9 ENVIRON SCI POLLUT R JI Environ. Sci. Pollut. Res. PD JUN PY 2013 VL 20 IS 6 BP 3743 EP 3750 DI 10.1007/s11356-012-1298-x PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 142EL UT WOS:000318779200023 PM 23161499 ER PT J AU Loyola, BR La Saponara, V Loh, KJ Briggs, TM O'Bryan, G Skinner, JL AF Loyola, Bryan R. La Saponara, Valeria Loh, Kenneth J. Briggs, Timothy M. O'Bryan, Gregory Skinner, Jack L. TI Spatial Sensing Using Electrical Impedance Tomography SO IEEE SENSORS JOURNAL LA English DT Article DE Carbon nanotubes (CNTs); electrical impedance tomography (EIT); nanocomposites; structural health monitoring (SHM) ID WALLED CARBON NANOTUBES; FIBER-OPTIC SENSORS; STRUCTURAL HEALTH; MATRIX COMPOSITE; RESISTANCE CHANGE; STRAIN; CFRP; PIEZORESISTIVITY; DELAMINATION; BEHAVIOR AB The need for structural health monitoring has become critical due to aging infrastructures, legacy airplanes, and continuous development of new structural technologies. Based on an updated structural design, there is a need for new structural health monitoring paradigms that can sense the presence, location, and severity with a single measurement. This paper focuses on the first step of this paradigm, consisting of applying a sprayed conductive carbon nanotube-polymer film upon glass fiber-reinforced polymer composite substrates. Electrical impedance tomography is performed to measure changes in conductivity within the conductive films because of damage. Simulated damage is a method for validation of this approach. Finally, electrical impedance tomography measurements are taken while the conductive films are subjected to tensile and compressive strain states. This demonstrates the ability of electrical impedance tomography for not only damage detection, but active structural monitoring as well. This paper acts as a first step toward moving the structural health monitoring paradigm toward large-scale deployable spatial sensing. C1 [Loyola, Bryan R.; Briggs, Timothy M.; O'Bryan, Gregory] Sandia Natl Labs, Livermore, CA 94550 USA. [La Saponara, Valeria] Univ Calif Davis, Mech & Aerosp Engn Dept, Davis, CA 95616 USA. [Loh, Kenneth J.] Univ Calif Davis, Civil & Environm Engn Dept, Davis, CA 95616 USA. [Skinner, Jack L.] Univ Montana, Dept Gen Engn, Montana Tech, Butte, MT 59701 USA. RP Loyola, BR (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM brloyol@sandia.gov; vlasaponara@ucdavis.edu; kjloh@ucdavis.edu; tbriggs@sandia.gov; gobryan@sandia.gov; jskinner@mtech.edu RI Loh, Kenneth/P-3218-2016 OI Loh, Kenneth/0000-0003-1448-6251 FU National Science Foundation [CAREER CMMI-0642814, 1200521]; University of California, Center for Information Technology Research in the Interest of Society; National Institute of Nano Engineering at Sandia National Laboratories; UC Davis Dissertation Year Fellowship FX Manuscript received August 28, 2012; revised November 24, 2012; accepted February 28, 2013. Date of publication March 20, 2013; date of current version April 30, 2013. This work was supported in part by the National Science Foundation under Grant CAREER CMMI-0642814 and Grant 1200521, the University of California, Center for Information Technology Research in the Interest of Society, the National Institute of Nano Engineering at Sandia National Laboratories, and the UC Davis Dissertation Year Fellowship. The associate editor coordinating the review of this paper and approving it for publication was Prof. Olfa Kanoun. NR 70 TC 17 Z9 19 U1 8 U2 41 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-437X EI 1558-1748 J9 IEEE SENS J JI IEEE Sens. J. PD JUN PY 2013 VL 13 IS 6 BP 2357 EP 2367 DI 10.1109/JSEN.2013.2253456 PG 11 WC Engineering, Electrical & Electronic; Instruments & Instrumentation; Physics, Applied SC Engineering; Instruments & Instrumentation; Physics GA 145ID UT WOS:000319007800001 ER PT J AU Carpenter, MH Friedrich, S Hall, JA Harris, J Warburton, WK Cantor, R AF Carpenter, Matthew H. Friedrich, Stephan Hall, John A. Harris, Jackson Warburton, William K. Cantor, Robin TI Development of Ta-Based Superconducting Tunnel Junction X-Ray Detector Arrays SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Superconducting photodetectors; superconducting tunnel junctions; synchrotron science; X-ray absorption spectroscopy; X-ray spectroscopy detectors ID ENERGY RESOLUTION; SYNCHROTRON SCIENCE; SPECTROMETERS; PERFORMANCE AB We are developing new Ta-based superconducting tunnel junction (STJ) X-ray detectors for high-resolution soft X-ray spectroscopy at synchrotrons. STJ detectors combine the high-energy resolution of cryogenic detectors with the high count rate capabilities of athermal devices and the high efficiencies of solid state detectors, which increases the sensitivity for material analysis by fluorescence-detected X-ray absorption spectroscopy. Our STJ detectors are fabricated using thick, high-Z Ta absorber films that enhance quantum efficiency and spectral purity, and extend operational range to several keV compared with earlier Nb-based STJs. They offer an energy resolution of similar to 5 to 10 eV FWHM for soft X-rays up to similar to 1 keV, and count rates of several 1000 counts/s per detector pixel. For increased solid angle coverage, we have fabricated 36- and 112-pixel Ta-based STJ detector arrays with total areas of 1.4 and 4.5 mm(2), respectively. The 208 x 208 mu m(2) pixels have an energy resolution between 6.8 and 7.6 eV FWHM at 525 eV with a low-energy shoulder, and their responsivity is uniform to within 2% across the array. Here we discuss the performance of the array in the context of synchrotron science. C1 [Carpenter, Matthew H.; Hall, John A.; Cantor, Robin] STAR Cryoelect, Santa Fe, NM 87508 USA. [Carpenter, Matthew H.] Univ Calif Davis, Davis, CA 95616 USA. [Friedrich, Stephan] Lawrence Livermore Natl Lab, Adv Detectors Grp, Livermore, CA 94550 USA. [Harris, Jackson; Warburton, William K.] XIA LLC, Hayward, CA 94544 USA. RP Carpenter, MH (reprint author), STAR Cryoelect, Santa Fe, NM 87508 USA. EM matthcarpenter@gmail.com; friedrich1@llnl.gov; ahall@starcryo.com; jack@xia.com; bill@xia.com; rcantor@starcryo.com FU U.S. Department of Energy [DE-SC0004359, DE-SC0006214] FX This work was supported in part by the U.S. Department of Energy under Grant DE-SC0004359 and Grant DE-SC0006214. NR 16 TC 6 Z9 6 U1 1 U2 10 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 JUN PY 2013 VL 23 IS 3 AR 2400504 DI 10.1109/TASC.2012.2236877 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100070 ER PT J AU Croce, MP Koehler, KE Kunde, GJ Rabin, MW Bond, EM Moody, WA Schmidt, DR Vale, LR Horansky, RD Kotsubo, V Ullom, JN AF Croce, M. P. Koehler, K. E. Kunde, G. J. Rabin, M. W. Bond, E. M. Moody, W. A. Schmidt, D. R. Vale, L. R. Horansky, R. D. Kotsubo, V. Ullom, J. N. TI Eight-Channel TES Microcalorimeter System for Detector and Source Development SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Alpha particle spectrometry; microcalorimeter; nuclear forensics; superconducting transition-edge sensor ID ALPHA; SPECTROMETRY; RESOLUTION AB Nuclear forensics and environmental monitoring require rapid isotopic analysis of trace samples that contain multiple radioisotopes with closely spaced alpha particle energies. Conventional measurement of such a sample typically requires expensive and time-consuming radiochemical separations, measurement of multiple subsamples by silicon alpha spectrometry, and destructive analysis by mass spectrometry. The superior energy resolution of microcalorimeter detectors allows isotopic analysis with a single nonconsumptive alpha spectrometry measurement. In order to bring microcalorimeter alpha detector technology towards the goal of a practical analytical instrument, we have developed an eight-channel transition-edge sensor microcalorimeter system to enable rapid detector and source development. This system is now fully functional, and has enabled the identification of instabilities in our alpha detector response that resulted in degraded performance. A redesigned set of detectors has been fabricated and tested, and has shown significantly improved response. With the improved detectors, we have been able to consistently achieve energy resolution of less than 1 keV full width at half maximum at 5.3 MeV. We have prepared electroplated sources that contain 239-Pu and 240-Pu, demonstrated the ability to resolve their similar to 5.1 MeV alpha energy peaks with 0.74 keV FWHM resolution, and shown that the 240/239-Pu isotopic ratios obtained from our microcalorimeter spectra are in statistical agreement with mass spectrometry results. C1 [Croce, M. P.; Koehler, K. E.; Kunde, G. J.; Rabin, M. W.; Bond, E. M.; Moody, W. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Schmidt, D. R.; Vale, L. R.; Horansky, R. D.; Kotsubo, V.; Ullom, J. N.] NIST, Boulder, CO 80305 USA. RP Croce, MP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mpcroce@lanl.gov OI Koehler, Katrina/0000-0003-3258-8526; Bond, Evelyn/0000-0001-7335-4086 NR 19 TC 1 Z9 1 U1 0 U2 10 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 JUN PY 2013 VL 23 IS 3 AR 1602605 DI 10.1109/TASC.2013.2239692 PN 1 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100031 ER PT J AU Cybart, SA Roediger, P Chen, K Parker, JM Cho, EY Wong, TJ Dynes, RC AF Cybart, Shane A. Roediger, Peter Chen, Ke Parker, J. M. Cho, Ethan Y. Wong, Travis J. Dynes, R. C. TI Temporal Stability of Y-Ba-Cu-O Nano Josephson Junctions from Ion Irradiation SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Ion implantation; Josephson junctions; nanolithography; yttrium barium copper oxide ID DAMAGE; NANOLITHOGRAPHY; ARRAYS; SQUIDS AB We investigate the temporal stability of YBa2Cu3O7-delta Josephson junctions created by ion irradiation through a nanoscale implant mask fabricated using electron beam lithography and reactive ion etching. A comparison of current-voltage characteristics measured for junctions after fabrication and eight years of storage at room temperature show a slight decrease in critical current and increase in normal state resistance consistent with broadening of the weak link from diffusion of defects. Shapiro step measurements performed eight years after fabrication reveal that device uniformity is maintained and is strong evidence that these devices have excellent temporal stability for applications. C1 [Cybart, Shane A.; Parker, J. M.; Cho, Ethan Y.; Wong, Travis J.; Dynes, R. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Cybart, Shane A.; Dynes, R. C.] Univ Calif Berkeley, Berkeley, CA 94709 USA. [Cybart, Shane A.; Roediger, Peter; Cho, Ethan Y.; Wong, Travis J.; Dynes, R. C.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Chen, Ke] Temple Univ, Philadelphia, PA 19122 USA. RP Cybart, SA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM sc@berkeley.edu RI Cybart, Shane/E-3518-2013 FU AFOSR [FA9550-08-1-0305]; ONR [N00014-11-1-0049]; Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the AFOSR under Grant FA9550-08-1-0305, by the ONR 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 DE-AC02-05CH11231. NR 14 TC 5 Z9 5 U1 2 U2 21 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 JUN PY 2013 VL 23 IS 3 AR 1100103 DI 10.1109/TASC.2012.2227646 PN 1 PG 3 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100002 ER PT J AU Espy, M Magnelind, P Matlashov, A Newman, S Urbaitis, A Volegov, P AF Espy, Michelle Magnelind, Per Matlashov, Andrei Newman, Shaun Urbaitis, Algis Volegov, Petr TI Toward High Resolution Images With SQUID-Based Ultra-Low Field Magnetic Resonance Imaging SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Magnetoencephalography (MEG); SQUID magnetic resonance imaging (MRI); superconducting quantum interference device (SQUID) array; ultra-low field (ULF) MRI ID MICROTESLA FIELDS; MRI; METAL; NMR AB Magnetic resonance imaging (MRI) is the state-of-the-art clinical method for imaging soft-tissue anatomy. Because signal scales with the applied magnetic field, the overwhelming trend in MRI has been high magnetic fields, typically 1.5 or 3 T. However, there has been recent interest in ultra-low field (ULF) MRI using 10-100 mu T magnetic fields. At ULF there are opportunities for novel imaging applications such as MRI combined with magnetoencephalography in a single device, imaging through or in the presence of metal, and enhanced spin-lattice tissue contrast. Loss in signal is mitigated by sensitive detectors such as superconducting quantum interference devices and sample pre-polarization, typically from 10-100 mT. There have been several proof-of-concept demonstrations based on this approach. However, ULF MRI image quality still suffers from one or more of the following disadvantages compared to high-frequency MRI: lower signal-to-noise ratio, poor spatial resolution, and longer imaging time. Here we present recent progress toward "clinically relevant" ULF MRI parameters: voxel signal-to-noise ratio > 10, voxel size < 2 x 2 x 4 mm(3). Data and simulations from a single channel system are presented and discussed. C1 [Espy, Michelle; Magnelind, Per; Matlashov, Andrei; Newman, Shaun; Urbaitis, Algis; Volegov, Petr] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Espy, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM espy@lanl.gov; per@lanl.gov OI Urbaitis, Algis/0000-0002-8626-5987 FU Los Alamos National Laboratory, Laboratory Directed Research and Development Office LDRD [20100097DR] FX This work was supported by the Los Alamos National Laboratory, Laboratory Directed Research and Development Office LDRD #20100097DR. NR 25 TC 4 Z9 4 U1 0 U2 24 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 JUN PY 2013 VL 23 IS 3 AR 1603107 DI 10.1109/TASC.2013.2246751 PN 1 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100034 ER PT J AU Horansky, RD Koehler, KE Croce, MP Kunde, GJ Rabin, MW Zink, BL Ullom, JN AF Horansky, Robert D. Koehler, Katrina E. Croce, Mark P. Kunde, Gerd J. Rabin, Michael W. Zink, Barry L. Ullom, Joel N. TI Lattice Damage in Superconducting Microcalorimeter Detectors SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Lattice defects; microcalorimeter; Q spectroscopy; transition-edge sensor ID ENERGY RESOLUTION; DEFECT; BEAM AB There is currently significant interest in using superconducting detectors for measurement of ion kinetic energies. Unprecedented resolution is possible with an order of magnitude improvement over semiconductors. Superconducting detectors are now able to probe the resolution limitations imposed by structural defects caused by incoming ions. Here we will calculate the expected resolution limits due to ion damage, as well as use the Monte Carlo simulation SRIM to compare results. Finally, comparison to on-going experiments will be made when possible. C1 [Horansky, Robert D.] Univ Denver, Denver, CO 80208 USA. [Horansky, Robert D.; Ullom, Joel N.] NIST, Boulder, CO 80305 USA. [Koehler, Katrina E.; Croce, Mark P.; Kunde, Gerd J.; Rabin, Michael W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zink, Barry L.] Univ Denver, Denver, CO 80208 USA. RP Horansky, RD (reprint author), Univ Denver, Denver, CO 80208 USA. EM horansky@nist.gov OI Koehler, Katrina/0000-0003-3258-8526 FU DIA NCMR via NPS [N00244-12-1-0064] FX The work of R. D. Horansky was supported by DIA NCMR via NPS (Award N00244-12-1-0064). NR 17 TC 1 Z9 1 U1 0 U2 6 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 JUN PY 2013 VL 23 IS 3 AR 2101104 DI 10.1109/TASC.2013.2237938 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100049 ER PT J AU Stevenson, TR Balvin, MA Bandler, SR Busch, SE Denis, KL Hsieh, WT Kelly, DP Merrell, W Nagler, PC Porst, JP Sadleir, JE Seidel, GM Smith, SJ AF Stevenson, T. R. Balvin, M. A. Bandler, S. R. Busch, S. E. Denis, K. L. Hsieh, W. -T. Kelly, D. P. Merrell, W. Nagler, P. C. Porst, J. -P. Sadleir, J. E. Seidel, G. M. Smith, S. J. TI Superconducting Effects in Optimization of Magnetic Penetration Thermometers for X-Ray Microcalorimeters SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Superconducting films; superconducting photodetectors; X-ray detection ID FIELD DEPENDENCE; GAP AB We have made high-resolution X-ray microcalorimeters using superconducting MoAu bilayers and Nb meander coils. The temperature sensor is a magnetic penetration thermometer. Operation is similar to metallic magnetic calorimeters, but instead of the magnetic susceptibility of a paramagnetic alloy, we use the diamagnetic response of the superconducting MoAu to sense temperature changes in an X-ray absorber. Flux-temperature responsivity can be large for small sensor heat capacity, with enough dynamic range for applications. We find that models of observed flux-temperature curves require several effects to explain flux penetration or expulsion in the microscopic devices. The superconductor is nonlocal, with large coherence length and weak pinning of flux. At the lowest temperatures, behavior is dominated by screening currents that vary as a result of the temperature dependence of the magnetic penetration depth, modified by the effect of the nonuniformity of the applied field occurring on a scale comparable to the coherence length. In the temperature regime where responsivity is greatest, spatial variations in the order parameter become important: both local variations as flux enters/leaves the film and an intermediate state is formed, and globally as changing stability of the electrical circuit creates a Meissner transition and flux is expelled/penetrates to minimize free energy. C1 [Stevenson, T. R.; Balvin, M. A.; Denis, K. L.; Hsieh, W. -T.; Sadleir, J. E.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Bandler, S. R.] Univ Maryland, College Pk, MD 20742 USA. [Busch, S. E.; Merrell, W.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA. [Kelly, D. P.] MEI Technol, Seabrook, MD 20706 USA. [Nagler, P. C.; Porst, J. -P.; Seidel, G. M.] Brown Univ, Providence, RI 02912 USA. [Smith, S. J.] Univ Maryland Baltimore Cty, Baltimore, MD 21250 USA. RP Stevenson, TR (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. EM thomas.r.stevenson@nasa.gov; Manuel.A.Balvin@nasa.gov; simon.r.bandler@nasa.gov; sarah.e.busch@nasa.gov; Kevin.L.Denis@nasa.gov; wen-ting.hsieh-1@nasa.gov; daniel.p.kelly@nasa.gov; willie.merrell@gmail.com; peter.c.nagler@nasa.gov; porst@nasa.gov; john.e.sadleir@nasa.gov; George_Seidel@brown.edu; stephen.j.smith@nasa.gov RI Smith, Stephen/B-1256-2008; Bandler, Simon/A-6258-2010 OI Smith, Stephen/0000-0003-4096-4675; Bandler, Simon/0000-0002-5112-8106 FU NASA ROSES [NNX12AL50G]; GSFC IRAD; appointments to the NASA Postdoctoral Program FX This work was supported by NASA ROSES grant NNX12AL50G, the GSFC IRAD program, and appointments to the NASA Postdoctoral Program administered by Oak Ridge Associated Universities. NR 21 TC 0 Z9 0 U1 1 U2 13 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 JUN PY 2013 VL 23 IS 3 AR 2300605 DI 10.1109/TASC.2013.2239695 PN 1 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100065 ER PT J AU Wang, G Yefremenko, V Chang, CL Novosad, V Mehl, J Pearson, J Divan, R Carlstrom, JE AF Wang, G. Yefremenko, V. Chang, C. L. Novosad, V. Mehl, J. Pearson, J. Divan, R. Carlstrom, J. E. TI Mo/Au Bilayer Superconducting Transition Edge Sensor Tuning With Surface Modification Structures SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Coherence length; proximity effect; transition edge sensor ID JOSEPHSON-JUNCTIONS; DETECTORS; SPTPOL AB We have conducted an experimental study tuning the critical temperature, transition width, normal resistance, and critical current of Mo/Au bilayer transition edge sensors (TES) using Nb stripes on the TES surface. The Nb stripes modify the TES parameters through the lateral proximity effect. We summarize the dependence of the shift in transition temperature and the broadening of the transition width on the separation length between the Nb stripes and leads. We calculate the Ginzburg-Landau coherence length of the TES in two methods. One takes advantage of the dependence of the TES normal resistance on the number of the TES and Nb contacts. Another utilizes the temperature dependence of the TES critical current. The two methods are in good agreement with a coherence length xi(0) approximate to 0.4 mu m. C1 [Wang, G.; Yefremenko, V.; Chang, C. L.; Mehl, J.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Novosad, V.; Pearson, J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Divan, R.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Carlstrom, J. E.] Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Wang, G (reprint author), Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. EM gwang@anl.gov; novosad@anl.gov; divan@aps.anl.gov; jc@kicp.uchicago.edu RI Novosad, Valentyn/C-2018-2014; 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] 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 DE-AC02-06CH11357. The work at the University of Chicago was 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 31 TC 4 Z9 4 U1 1 U2 19 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 JUN PY 2013 VL 23 IS 3 AR 2101605 DI 10.1109/TASC.2013.2251451 PN 1 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100054 ER PT J AU Yefremenko, V Ade, P Aird, K Austermann, J Beall, J Becker, D Benson, B Bleem, L Britton, J Chang, CL Carlstrom, J Cho, H de Haan, T Crawford, T Crites, A Datesman, A Dobbs, M Everett, W Ewall-Wice, A George, E Halverson, N Harrington, N Henning, J Hilton, G Holzapfel, W Hoover, S Hubmayr, J Irwin, K Keisler, R Kennedy, J Lee, A Leitch, E Li, D Lueker, M Marrone, DP McMahon, J Mehl, J Meyer, S Montgomery, J Montroy, T Natoli, T Nibarger, J Niemack, M Novosad, V Padin, S Pryke, C Reichardt, C Ruhl, J Saliwanchik, B Sayre, J Schafer, K Shirokoff, E Story, K Vanderlinde, K Vieira, J Wang, G Williamson, R Yoon, KW Young, E AF Yefremenko, V. Ade, P. Aird, K. Austermann, J. Beall, J. Becker, D. Benson, B. Bleem, L. Britton, J. Chang, C. L. Carlstrom, J. Cho, H. de Haan, T. Crawford, T. Crites, A. Datesman, A. Dobbs, M. Everett, W. Ewall-Wice, A. George, E. Halverson, N. Harrington, N. Henning, J. Hilton, G. Holzapfel, W. Hoover, S. Hubmayr, J. Irwin, K. Keisler, R. Kennedy, J. Lee, A. Leitch, E. Li, D. Lueker, M. Marrone, D. P. McMahon, J. Mehl, J. Meyer, S. Montgomery, J. Montroy, T. Natoli, T. Nibarger, J. Niemack, M. Novosad, V. Padin, S. Pryke, C. Reichardt, C. Ruhl, J. Saliwanchik, B. Sayre, J. Schafer, K. Shirokoff, E. Story, K. Vanderlinde, K. Vieira, J. Wang, G. Williamson, R. Yoon, K. W. Young, E. TI Design and Fabrication of 90 GHz TES Polarimeter Detectors for the South Pole Telescope SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE CMB polarimetry; low temperature detectors; PACS: 07.57.Kp; superconducting bolometer; transition edge sensor ID TRANSITION-EDGE SENSORS; BILAYERS AB We present information about the design and fabrication of 90 GHz Transition Edge Sensor (TES) detectors deployed in the SPTpol camera for investigation of the cosmic microwave background (CMB) polarization signal. The 90 GHz portion of the camera consists of 180 individual feedhorn modules with dual polarization-sensitive detectors. We discuss microfabrication details and the characterization of detector elements. Each detector incorporates a dipole-like Pd-Au absorber and Mo/Au TES thermometer, suspended together on a rectangular silicon nitride (SiN) membrane via 6 long (640 mu m) and narrow (10 mu m) legs. The geometry of the SiN legs was optimized to provide the target thermal conductance of 200 pW/K in combination with mechanical robustness and reliability. The proximity effect in superconductor (Mo) and normal metal (Au) bilayers was utilized to obtain a TES operating temperature between 520 and 540 mK. Excellent superconducting properties (transition width < 1 mK) and T-c uniformity (< 3 mK) across 2 '' wafers were achieved by sputtering in a confocal system under a single vacuum using an independent RF bias applied to the substrate. Superconducting Nb dots patterned on the TES surface provided controllable broadening of the transition width. We report the results of transition measurements, along with characterization of film morphology. C1 [Yefremenko, V.; Wang, G.] Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. [Ade, P.] Cardiff Univ, Cardiff Sch Phys & Astron, Cardiff CF10 3AX, S Glam, Wales. [Aird, K.; Benson, B.; Bleem, L.; Chang, C. L.; Carlstrom, J.; Crawford, T.; Crites, A.; Everett, W.; Ewall-Wice, A.; Hoover, S.; Keisler, R.; Leitch, E.; Mehl, J.; Meyer, S.; Montgomery, J.; Natoli, T.; Story, K.; Williamson, R.] Univ Chicago, Kavli Inst Cosmol Phys, Dept Phys, Enrico Fermi Inst, Chicago, IL 60637 USA. [Austermann, J.; Halverson, N.; Henning, J.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO USA. [Beall, J.; Becker, D.; Britton, J.; Cho, H.; Hilton, G.; Hubmayr, J.; Irwin, K.; Li, D.; Nibarger, J.; Niemack, M.] NIST, Boulder, CO 80305 USA. [Chang, C. L.; Carlstrom, J.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [de Haan, T.; Dobbs, M.; Kennedy, J.; Vanderlinde, K.] McGill Univ, Montreal, PQ H3A 0G4, Canada. [Datesman, A.; Novosad, V.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [George, E.; Harrington, N.; Holzapfel, W.; Lee, A.; Reichardt, C.; Young, E.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Lueker, M.; Padin, S.; Shirokoff, E.; Vieira, J.] CALTECH, Pasadena, CA 91125 USA. [Marrone, D. P.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [McMahon, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Montroy, T.; Ruhl, J.; Saliwanchik, B.; Sayre, J.] Case Western Reserve Univ, Cleveland, OH 44106 USA. [Pryke, C.] Univ Minnesota, Minneapolis, MN 55455 USA. [Schafer, K.] Art Inst Chicago, Chicago, IL 60603 USA. [Yoon, K. W.] Stanford Univ, Palo Alto, CA 94305 USA. RP Yefremenko, V (reprint author), Argonne Natl Lab, HEP Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yefremenko@anl.gov RI Novosad, Valentyn/C-2018-2014; Williamson, Ross/H-1734-2015; Holzapfel, William/I-4836-2015; Novosad, V /J-4843-2015; OI Williamson, Ross/0000-0002-6945-2975; Britton, Joe/0000-0001-8103-7347; Aird, Kenneth/0000-0003-1441-9518; Reichardt, Christian/0000-0003-2226-9169 FU Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-06CH11357]; National Science Foundation (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, was supported by the Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy, under Contract DE-AC02-06CH11357. The work at the University of Chicago was supported by the National Science Foundation (NSF) under 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 9 TC 3 Z9 3 U1 4 U2 35 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 JUN PY 2013 VL 23 IS 3 AR 2100605 DI 10.1109/TASC.2012.2235892 PN 1 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 143KT UT WOS:000318867100044 ER PT J AU Fister, TT Fuoss, PH Fong, DD Eastman, JA Folkman, CM Hruszkewycz, SO Highland, MJ Zhou, H Fenter, P AF Fister, Tim T. Fuoss, Paul H. Fong, Dillon D. Eastman, Jeffrey A. Folkman, Chad M. Hruszkewycz, Stephan O. Highland, Matthew J. Zhou, Hua Fenter, Paul TI Surface diffraction on a psi-circle diffractometer using the chi-axis geometry SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID X-RAY DIFFRACTOMETER; ANGLE CALCULATIONS; REFLECTIVITY; SCATTERING AB The restricted volume above and below the sample on a six-circle diffractometer can limit the size and complexity of sample environments used in surface diffraction studies. An alternative configuration of the diffractometer, where the sample normal is aligned parallel to the chi axis, allows for ample space above and below the chi circle for instrumentation. The merits of this approach are outlined and angles are derived for the diffraction condition for constant-incident-angle, constant-sample-azimuthal-angle and specular geometries. Using a version of this code written for SPEC (http://www.certif.com/content/spec/), sample specular and nonspecular crystal truncation rods measured from a 5 nm-thick thin film are presented. C1 [Fister, Tim T.; Fuoss, Paul H.; Fong, Dillon D.; Eastman, Jeffrey A.; Folkman, Chad M.; Hruszkewycz, Stephan O.; Highland, Matthew J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Fister, Tim T.; Fenter, Paul] Argonne Natl Lab, Argonne, IL 60439 USA. [Zhou, Hua] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Fister, TT (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 South Cass Ave, Argonne, IL 60439 USA. EM fister@anl.gov RI Eastman, Jeffrey/E-4380-2011 FU US Department of Energy (DOE), Basic Energy Sciences [DE-AC02-06CH11357, DE-AC02-06CH11]; DOE Strategic Energy Conversion Alliance (SECA) program FX Assistance by the beamline staff at sector 12 at the Advanced Photon Source is gratefully acknowledged. Support was provided by the US Department of Energy (DOE), Basic Energy Sciences, under contracts DE-AC02-06CH11357 and DE-AC02-06CH11 (the Center for Electrical Energy Storage Energy Frontier Research Center) and through the DOE Strategic Energy Conversion Alliance (SECA) program. Paul Salvador and Hui Du provided the thin-film sample shown in Fig. 4. NR 15 TC 2 Z9 2 U1 2 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2013 VL 46 BP 639 EP 643 DI 10.1107/S0021889813007693 PN 3 PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 144MJ UT WOS:000318943300007 ER PT J AU Dejoie, C McCusker, LB Baerlocher, C Abela, R Patterson, BD Kunz, M Tamura, N AF Dejoie, Catherine McCusker, Lynne B. Baerlocher, Christian Abela, Rafael Patterson, Bruce D. Kunz, Martin Tamura, Nobumichi TI Using a non-monochromatic microbeam for serial snapshot crystallography SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID LAUE DIFFRACTION PHOTOGRAPHS; SMALL-MOLECULE CRYSTAL; X-RAY ANALYSES; FEMTOSECOND CRYSTALLOGRAPHY; WHITE-BEAM; RADIATION AB The new X-ray free-electron laser source (SwissFEL) that is currently being developed at PSI will provide a broad-bandpass mode with an energy bandwidth of about 4%. By using the full energy range, a new option for structural studies of crystalline materials may become possible. The proof of concept of broad-bandpass diffraction presented here is based on Laue single-crystal micro-diffraction and the experimental setup on BL12.3.2 at the Advanced Light Source in Berkeley. Diffraction patterns for 100 randomly oriented stationary crystallites of the MFI-type zeolite ZSM-5 were simulated assuming several bandwidths, and the statistical and structural results are discussed. With a 4% energy bandwidth, the number of reflection intensities measured in a single shot is significantly higher than with monochromatic radiation. Furthermore, the problem of partial reflection measurement, which is inherent to the monochromatic mode with stationary crystals, can be overcome. C1 [Dejoie, Catherine; McCusker, Lynne B.; Baerlocher, Christian] ETH, Lab Crystallog, CH-8093 Zurich, Switzerland. [Dejoie, Catherine; Abela, Rafael; Patterson, Bruce D.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Kunz, Martin; Tamura, Nobumichi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Dejoie, C (reprint author), ETH, Lab Crystallog, Wolfgang Pauli Str 10, CH-8093 Zurich, Switzerland. EM c.dejoie@mat.ethz.ch OI McCusker, Lynne/0000-0003-0074-1733 FU Chevron (Richmond, CA, USA); PSI (Villigen, CH); Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division of the US Department of Energy [DE-AC02-05CH11231] FX CD is supported by Chevron (Richmond, CA, USA) and PSI (Villigen, CH). The Advanced Light Source at the Lawrence Berkeley National Laboratory is supported by the Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division of the US Department of Energy under contract No. DE-AC02-05CH11231. NR 22 TC 13 Z9 13 U1 0 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2013 VL 46 BP 791 EP 794 DI 10.1107/S0021889813005888 PN 3 PG 4 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 144MJ UT WOS:000318943300026 ER PT J AU Morelock, CR Suchomel, MR Wilkinson, AP AF Morelock, Cody R. Suchomel, Matthew R. Wilkinson, Angus P. TI A cautionary tale on the use of GE-7031 varnish: low-temperature thermal expansion studies of ScF3 SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID ELECTRIC 7031 VARNISH; HEAT CAPACITY; CONDUCTIVITY AB GE-7031 varnish, a commonly used low-temperature adhesive and electrical insulator owing to its high thermal conductivity and mechanical strength at low temperatures, was used as a sample matrix for low-temperature powder X-ray diffraction measurements of the negative thermal expansion (NTE) material ScF3. When ScF3 powder was mixed with GE-7031 varnish, an unexpected cubic to rhombohedral phase transition in the ScF3 sample was observed at similar to 50 K, and it exhibited smaller low-temperature unit-cell volumes than samples without the varnish matrix. Experimental observations and quantitative estimates suggest that these anomalies are the result of stress induced by a thermal expansion mismatch between the varnish matrix (large positive coefficient of thermal expansion, CTE) and ScF3 (quite large negative CTE). The use of GE-7031 varnish as a sample matrix for low-temperature measurements should be approached with caution if a large thermal expansion mismatch is expected. C1 [Morelock, Cody R.; Wilkinson, Angus P.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Suchomel, Matthew R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wilkinson, Angus P.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. RP Wilkinson, AP (reprint author), Georgia Inst Technol, Sch Chem & Biochem, 901 Atlantic Dr, Atlanta, GA 30332 USA. EM angus.wilkinson@chemistry.gatech.edu RI Morelock, Cody/C-2831-2012; Wilkinson, Angus/C-3408-2008; Suchomel, Matthew/C-5491-2015; OI Wilkinson, Angus/0000-0003-2904-400X; SUCHOMEL, Matthew/0000-0002-9500-5079 FU National Science Foundation [DMR-0905842]; United States Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX APW is grateful for support from the National Science Foundation under grant No. DMR-0905842. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the United States Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. NR 23 TC 8 Z9 8 U1 6 U2 28 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2013 VL 46 BP 823 EP 825 DI 10.1107/S0021889813005955 PN 3 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 144MJ UT WOS:000318943300033 ER PT J AU Flores-Hernandez, E Stojanoff, V Arreguin-Espinosa, R Moreno, A Sanchez-Puig, N AF Flores-Hernandez, Edith Stojanoff, Vivian Arreguin-Espinosa, Roberto Moreno, Abel Sanchez-Puig, Nuria TI An electrically assisted device for protein crystallization in a vapor-diffusion setup SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article AB A new easy-to-use device has been designed and implemented for electric field-induced protein crystallization in a vapor-diffusion configuration. The device not only controls crystal nucleation by means of the electrical current, but also favors crystal growth owing to its vapor-diffusion setup. Crystallization was conducted in the presence of an internal electric field and direct current. The proteins investigated were lysozyme, as model protein, and 2TEL-lysozyme (a synthetic protein consisting of two tandem alpha helix motifs connected to a lysozyme moiety). Lysozyme crystals that grew attached to the cathode were larger than those grown attached to the anode or in the absence of an electric current. On the other hand, crystals of 2TEL-lysozyme qualitatively showed a better X-ray diffraction pattern when grown in the presence of an electric current. C1 [Flores-Hernandez, Edith; Arreguin-Espinosa, Roberto; Moreno, Abel; Sanchez-Puig, Nuria] Univ Nacl Autonoma Mexico, Inst Quim, Dept Quim Biomacromol, Mexico City 04510, DF, Mexico. [Stojanoff, Vivian] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11873 USA. RP Sanchez-Puig, N (reprint author), Univ Nacl Autonoma Mexico, Inst Quim, Dept Quim Biomacromol, Ave Univ 3000,Ciudad Univ, Mexico City 04510, DF, Mexico. EM nuriasp@unam.mx FU DGAPA-UNAM project PAPIIT [204010]; CONACYT (Mexico) [175924]; DOE [GM-0080, DE-AC02-98CH10886] FX The authors acknowledge the X-ray diffraction facility of the Laboratorio Nacional de Estructura de Proteinas-LANEM at UNAM (Mexico) and help from M. Sci. Georgina E. Espinosa-Perez and Dr Adela Rodriguez-Romero. We thank Professor James U. Bowie for providing us with the plasmid necessary to express the 2TEL-Lys protein. NSP acknowledges financial support from DGAPA-UNAM project PAPIIT No. 204010. AM acknowledges CONACYT (Mexico) project No. 175924. Preliminary X-ray diffraction experiments were carried out at the National Synchrotron Light Source supported by the NIGMS and DOE under contracts GM-0080 and DE-AC02-98CH10886. NR 13 TC 3 Z9 3 U1 0 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2013 VL 46 BP 832 EP 834 DI 10.1107/S0021889813010558 PN 3 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 144MJ UT WOS:000318943300036 PM 23682197 ER PT J AU Hung, PC Tsao, JY AF Hung, Po-Chieh Tsao, Jeffrey Y. TI Maximum White Luminous Efficacy of Radiation Versus Color Rendering Index and Color Temperature: Exact Results and a Useful Analytic Expression SO JOURNAL OF DISPLAY TECHNOLOGY LA English DT Article DE Chromaticity; color rendering index; color temperature; illumination; light-emitting diodes; lighting; luminous efficacy; solid-state lighting; spectral efficiency; spectral power distribution; white light ID LEDS AB We calculate numerically the spectral power distributions (SPDs) which maximize luminous efficacies of radiation (LERs) for white light of particular color rendering indices (R-a's) and color temperatures (CTs). We find that, except for the very highest color rendering indices, the spectra are spiky rather than continuous. We present a useful analytic expression for the dependences of the maximum white luminous efficacy of radiation (MWLER) on R-a and CT and discuss these dependences. We propose that, for any white light source of a given R-a and CT, its absolute spectral efficiency is simply the ratio of its LER to the MWLER at that same R-a and CT. We discuss the absolute spectral efficiency, defined in this way, of various lighting technologies: incandescent, fluorescent, high-intensity discharge, and solid-state lighting. Finally, we discuss the possibility of alternative MWLERs based on alternative indices for color rendering quality. C1 [Hung, Po-Chieh] Konica Minolta Lab USA Inc, San Mateo, CA 94403 USA. [Tsao, Jeffrey Y.] Sandia Natl Labs, Phys Chem & Nano Sci Ctr, Albuquerque, NM 87185 USA. RP Hung, PC (reprint author), Konica Minolta Lab USA Inc, San Mateo, CA 94403 USA. EM po-chieh.hung@hl.konicaminolta.us; jytsao@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia's Solid-State-Lighting Science Energy Frontier Research Center; U.S. Department of Energy, Office of Basic Energy Sciences 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.; Manuscript received August 28, 2012; revised October 02, 2012; accepted October 02, 2012. Date of publication November 30, 2012; date of current version April 29, 2013. The work of J. Y. Tsao was supported by Sandia's Solid-State-Lighting Science Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Basic Energy Sciences. NR 28 TC 11 Z9 11 U1 0 U2 24 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1551-319X J9 J DISP TECHNOL JI J. Disp. Technol. PD JUN PY 2013 VL 9 IS 6 BP 405 EP 412 DI 10.1109/JDT.2012.2224638 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 141BE UT WOS:000318699500001 ER PT J AU Tsao, JY Brener, I Kelley, DF Lyo, SK AF Tsao, Jeffrey Y. Brener, Igal Kelley, David F. Lyo, S. Ken TI Quantum-Dot-Based Solid-State Lighting With Electric-Field-Tunable Chromaticity SO JOURNAL OF DISPLAY TECHNOLOGY LA English DT Article DE Chromaticity control; color temperature; light-emitting diode; liquid crystals; quantum dots; quantum yield; smart lighting; solid-state lighting; Stark effect; wavelength downconversion ID CADMIUM SELENIDE NANOCRYSTALS; CDSE/CDS CORE/SHELL NANOCRYSTALS; EMITTING-DIODES; SEMICONDUCTOR NANOCRYSTALS; HIGHLY-EFFICIENT; ENERGY-TRANSFER; LEDS; PHOSPHORS; EMISSION; SERIES AB Solid-state lighting is currently based on blue light-emitting diodes combined with wavelength downconversion via phosphors. Replacing the phosphors with quantum dots has a number of potential advantages, including narrowband and size-tailorable emission spectra. Here, we point out another advantage: the ability to perform real-time tuning of chromaticity of solid-state lighting by altering quantum dot absorption or emission wavelengths and oscillator strengths using electric fields. We discuss a possible architecture for such a solid-state lamp, and the chromaticity ranges that could be obtained for given ranges of absorption or emission wavelength and oscillator strength changes. C1 [Tsao, Jeffrey Y.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kelley, David F.] Univ Calif, Sch Nat Sci, Merced, CA 95343 USA. [Lyo, S. Ken] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. RP Tsao, JY (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jytsao@sandia.gov; ibrener@sandia.gov; dfkelley@ucmerced.edu; sklyo@uci.edu FU Sandia's Solid-State-Lighting Science Energy Frontier Research Center; U.S. Department of Energy, Office of Basic Energy Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Manuscript received September 30, 2012; accepted October 05, 2012. Date of publication January 08, 2013; date of current version April 29, 2013. The work of J. Y. Tsao and I. Brener (Sandia National Laboratories) and the work of D. F. Kelley (University of California, Merced) was supported by Sandia's Solid-State-Lighting Science Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Basic Energy Sciences. 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 41 TC 6 Z9 6 U1 1 U2 37 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1551-319X J9 J DISP TECHNOL JI J. Disp. Technol. PD JUN PY 2013 VL 9 IS 6 BP 419 EP 426 DI 10.1109/JDT.2012.2225407 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 141BE UT WOS:000318699500003 ER PT J AU Kumaresan, PR Devaraj, S Huang, WZ Lau, EY Liu, RW Lam, KS Jialal, I AF Kumaresan, Pappanaicken R. Devaraj, Sridevi Huang, Wenzhe Lau, Edmond Y. Liu, Ruiwu Lam, Kit S. Jialal, Ishwarlal TI Synthesis and Characterization of a Novel Inhibitor of C-Reactive Protein-Mediated Proinflammatory Effects SO METABOLIC SYNDROME AND RELATED DISORDERS LA English DT Article ID BEAD-ONE-COMPOUND; COMBINATORIAL PEPTIDE LIBRARIES; AORTIC ENDOTHELIAL-CELLS; CARDIOVASCULAR-DISEASE; IN-VIVO; LIGANDS; INTEGRIN; ATHEROTHROMBOSIS; CHEMISTRY; MOLECULE AB Background: Numerous studies have shown that high C-reactive protein (CRP) levels predict cardiovascular disease and augur a poor prognosis in patients with acute coronary syndromes. Much in vitro and in vivo data support of a role for CRP in atherogenesis. There is an urgent need to develop inhibitors that specifically block the biological effects of CRP in vivo. The one-bead-one-compound (OBOC) combinatorial library method has been used to discover ligands against several biological targets. In this study, we use a novel fluorescence-based screening method to screen an OBOC combinatorial library for the discovery of peptides against human CRP. Methods: Human CRP was labeled with fluorescein isothiocyanate (FITC) and human serum albumin (HuSA) was labeled with phycoerythrin (PE) and used for screening. The OBOC library LWH-01 was synthesized on TentaGel resin beads using a standard solid-phase "split/mix" approach. Results: By subtraction screening, eight peptides that bind specifically to CRP and not to HuSA were identified. In human aortic endothelial cells (HAECs) incubated with CRP, inhibitors CRPi-2, CRPi-3, and CRPi-6 significantly inhibited CRP-induced superoxide, cytokine release, and nuclear factor-kappa B (NF kappa B) activity. Molecular docking studies demonstrate that CRPi-2 interacts with the two Ca2+ ions in the single subunit of CRP. The binding of CRPi-2 is reminiscent of choline binding. Conclusions: Future studies will examine the utility of this inhibitor in animal models and clinical trials. C1 [Kumaresan, Pappanaicken R.] Univ Texas MD Anderson Canc Ctr Houston, Dept Pediat Canc Res, Houston, TX 77030 USA. [Devaraj, Sridevi] Baylor Coll Med, Dept Pathol & Immunol, Houston, TX 77030 USA. [Devaraj, Sridevi] Texas Childrens Hosp, Houston, TX 77030 USA. [Huang, Wenzhe; Liu, Ruiwu; Lam, Kit S.] UC Davis Med Ctr, Dept Biochem & Mol Med, Sacramento, CA 95817 USA. [Jialal, Ishwarlal] UC Davis Med Ctr, Dept Pathol, Sacramento, CA 95817 USA. [Lau, Edmond Y.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Kumaresan, PR (reprint author), Univ Texas MD Anderson Canc Ctr Houston, Dept Pediat Canc Res, 1515 Holcombe Blvd, Houston, TX 77030 USA. EM pkumaresan@mdanderson.org; ijialal@ucdavis.edu FU NIH [RO1 HL07436] FX This study was supported by grant NIH RO1 HL07436 and had technical support from Jung Mi Yun, PhD. NR 43 TC 4 Z9 4 U1 0 U2 3 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1540-4196 J9 METAB SYNDR RELAT D JI Metab. Syndr. Relat. Disord. PD JUN PY 2013 VL 11 IS 3 BP 177 EP 184 DI 10.1089/met.2012.0123 PG 8 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA 145WZ UT WOS:000319051400007 PM 23445482 ER PT J AU Kelly, TF Miller, MK Rajan, K Ringer, SP AF Kelly, Thomas F. Miller, Michael K. Rajan, Krishna Ringer, Simon P. TI Atomic-Scale Tomography: A 2020 Vision SO MICROSCOPY AND MICROANALYSIS LA English DT Review DE atomic-scale tomography; atom probe microscopy; atom probe tomography; integrated computational materials engineering; 2020 Vision ID FIELD-ION MICROSCOPY; PRIMARY WAVE FIELDS; PROBE TOMOGRAPHY; ELECTRON-MICROSCOPY; DETECTION EFFICIENCY; PHASE DETERMINATION; DIFFRACTION; RESOLUTION; LATTICE; RECONSTRUCTION AB Atomic-scale tomography (AST) is defined and its place in microscopy is considered. Arguments are made that AST, as defined, would be the ultimate microscopy. The available pathways for achieving AST are examined and we conclude that atom probe tomography (APT) may be a viable basis for AST on its own and that APT in conjunction with transmission electron microscopy is a likely path as well. Some possible configurations of instrumentation for achieving AST are described. The concept of metaimages is introduced where data from multiple techniques are melded to create synergies in a multidimensional data structure. When coupled with integrated computational materials engineering, structure-properties microscopy is envisioned. The implications of AST for science and technology are explored. C1 [Kelly, Thomas F.] Cameca Instruments Inc, Madison, WI 53711 USA. [Miller, Michael K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Rajan, Krishna] Iowa State Univ, Inst Combinatorial Discovery, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Ringer, Simon P.] Univ Sydney, Sch Aerosp Mech & Mechaton Engn, Australian Ctr Microscopy & Microanal, Sydney, NSW 2006, Australia. RP Kelly, TF (reprint author), Cameca Instruments Inc, 5500 Nobel Dr,Suite 100, Madison, WI 53711 USA. EM thomas.kelly@ametek.com FU AFOSR [FA9550-12-0496, FA9550-11-10158]; NSF [PHY-CDI-09-41576, CMMI-ARI-09-389018, CCF-AF-09-17202]; Australian Research Council; AMMRF; Office of Basic Energy Sciences, U.S. Department of Energy FX T.F.K. gratefully acknowledges the fruitful discussions with many colleagues at Cameca, especially David Larson, Brian Geiser, and Ty Prosa. T.F.K. acknowledges the discussion of ptychography with Roger Wepf and metaimages with Edgar Voelkl and Michael Scheinfein. Support for K.R. for this work comes from AFOSR grants #FA9550-12-0496 and #FA9550-11-10158 and NSF awards: PHY-CDI-09-41576, CMMI-ARI-09-389018, and CCF-AF-09-17202 and for S.P.R. from the Australian Research Council and the AMMRF (ammrf.org.au). Research at ORNL's Shared Research Equipment (ShaRE) User Facility by M.K.M. is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. NR 60 TC 16 Z9 16 U1 5 U2 74 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD JUN PY 2013 VL 19 IS 3 BP 652 EP 664 DI 10.1017/S1431927613000494 PG 13 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 146WQ UT WOS:000319126300017 PM 23668837 ER PT J AU Schreiber, DK Olszta, MJ Saxey, DW Kruska, K Moore, KL Lozano-Perez, S Bruemmer, SM AF Schreiber, D. K. Olszta, M. J. Saxey, D. W. Kruska, K. Moore, K. L. Lozano-Perez, S. Bruemmer, S. M. TI Examinations of Oxidation and Sulfidation of Grain Boundaries in Alloy 600 Exposed to Simulated Pressurized Water Reactor Primary Water SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE atom probe tomography; transmission electron microscopy; NanoSIMS; scanning electron microscopy; corrosion; oxidation; sulfidation; intergranular attack ID 3-DIMENSIONAL ATOM-PROBE; STRESS-CORROSION CRACKING; SPECIMEN PREPARATION; HOT CORROSION; TOMOGRAPHY; SEGREGATION; NANOSIMS; SULFUR; TEM; NI AB High-resolution characterizations of intergranular attack in alloy 600 (Ni-17Cr-9Fe) exposed to 325 degrees C simulated pressurized water reactor primary water have been conducted using a combination of scanning electron microscopy, NanoSIMS, analytical transmission electron microscopy, and atom probe tomography. The intergranular attack exhibited a two-stage microstructure that consisted of continuous corrosion/oxidation to a depth of similar to 200 nm from the surface followed by discrete Cr-rich sulfides to a further depth of similar to 500 nm. The continuous oxidation region contained primarily nanocrystalline MO-structure oxide particles and ended at Ni-rich, Cr-depleted grain boundaries with spaced CrS precipitates. Three-dimensional characterization of the sulfidized region using site-specific atom probe tomography revealed extraordinary grain boundary composition changes, including total depletion of Cr across a several nm wide dealloyed zone as a result of grain boundary migration. C1 [Schreiber, D. K.; Olszta, M. J.; Bruemmer, S. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Saxey, D. W.; Kruska, K.; Moore, K. L.; Lozano-Perez, S.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. RP Schreiber, DK (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM daniel.schreiber@pnnl.gov OI Moore, Katie/0000-0003-1615-7232; Lozano-Perez, Sergio/0000-0003-3387-5973; Saxey, David/0000-0001-7433-946X FU Electric Power Research Institute (EPRI); Rolls Royce and Associates; U.S. Department of Energy's (DOE) Office of Basic Energy Sciences; DOE Office of Nuclear Energy; DOE's Office of Biological and Environmental Research and located at PNNL; DOE [DE-AC05-76RL01830]; U.K. Engineering and Physical Sciences Research Council [EP/077664/1] FX Initial SEM and TEM observations on heat WF422, conducted at Pacific Northwest National Laboratory (PNNL), were supported via funding from the Electric Power Research Institute (EPRI) and Rolls Royce and Associates. D.K. Schreiber and APT analyses on heat WF422 were supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences. Additional corrosion experiments were funded by the DOE Office of Nuclear Energy. The FIB and APT work was performed using the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle for DOE under Contract DE-AC05-76RL01830. APT analysis on heat WF675 was conducted at the OPAL Atom Probe Facility at the University of Oxford and funded by the U.K. Engineering and Physical Sciences Research Council under Grant No. EP/077664/1. The authors gratefully acknowledge helpful discussions with P. Chou (EPRI) and L. Fournier (AREVA), as well as technical assistance from R.J. Seffens (PNNL), C.E. Chamberlin (PNNL), and S. Yardley (Oxford) for materials preparation activities. NR 43 TC 19 Z9 19 U1 2 U2 46 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD JUN PY 2013 VL 19 IS 3 BP 676 EP 687 DI 10.1017/S1431927613000421 PG 12 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 146WQ UT WOS:000319126300019 PM 23590826 ER PT J AU Zhu, YY Song, CY Minor, AM Wang, HY AF Zhu, Yuanyuan Song, Chengyu Minor, Andrew M. Wang, Haiyan TI Cs-Corrected Scanning Transmission Electron Microscopy Investigation of Dislocation Core Configurations at a SrTiO3/MgO Heterogeneous Interface SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE aberration-corrected scanning transmission electron microscopy (Cs-corrected STEM); geometric phase analysis (GPA); interface structure; dislocation core; perovskite; thin films ID DARK-FIELD IMAGES; THIN-FILMS; OXIDE INTERFACES; PHASE-ANALYSIS; DISPLACEMENT; CONTRAST; DEFECTS; GROWTH AB Heterostructures and interfacial defects in a 40-nm-thick SrTiO3 (STO) film grown epitaxially on a single-crystal MgO (001) were investigated using aberration-corrected scanning transmission electron microscopy and geometric phase analysis. The interface of STO/MgO was found to be of the typical domain-matching epitaxy with a misfit dislocation network having a Burgers vector of 1/2 a(STO) < 100 >. Our studies also revealed that the misfit dislocation cores at the heterogeneous interface display various local cation arrangements in terms of the combination of the extra-half inserting plane and the initial film plane. The type of the inserting plane, either the SrO or the TiO2 plane, alters with actual interfacial conditions. Contrary to previous theoretical calculations, the starting film planes were found to be dominated by the SrO layer, i.e., a SrO/MgO interface. In certain regions, the starting film planes change to the TiO2/MgO interface because of atomic steps at the MgO substrate surface. In particular, four basic misfit dislocation core configurations of the STO/MgO system have been identified and discussed in relation to the substrate surface terraces and possible interdiffusion. The interface structure of the system in reverse-MgO/STO-is also studied and presented for comparison. C1 [Zhu, Yuanyuan; Wang, Haiyan] Texas A&M Univ, Program Mat Sci & Engn, College Stn, TX 77843 USA. [Song, Chengyu; Minor, Andrew M.] Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Wang, Haiyan] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX USA. RP Wang, HY (reprint author), Texas A&M Univ, Program Mat Sci & Engn, College Stn, TX 77843 USA. EM wangh@ece.tamu.edu RI Wang, Haiyan/P-3550-2014; Foundry, Molecular/G-9968-2014 OI Wang, Haiyan/0000-0002-7397-1209; FU National Science Foundation (Ceramic Program Award) [NSF-0846504]; Air Force Office of Scientific Research [FA9550-09-1-0114]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was funded by National Science Foundation (Ceramic Program Award No. NSF-0846504) and the Air Force Office of Scientific Research (Contract No.: FA9550-09-1-0114). The microscopy experiments were performed at the National Center for Electron Microscopy (NCEM), 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. Y.Z. is grateful to C. Kisielowski at NCEM for helpful guidance and discussions on this work. NR 38 TC 10 Z9 10 U1 6 U2 66 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD JUN PY 2013 VL 19 IS 3 BP 706 EP 715 DI 10.1017/S1431927613000408 PG 10 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 146WQ UT WOS:000319126300023 PM 23632065 ER PT J AU Haberfehlner, G Smith, MJ Idrobo, JC Auvert, G Sher, MJ Winkler, MT Mazur, E Gambacorti, N Gradecak, S Bleuet, P AF Haberfehlner, Georg Smith, Matthew J. Idrobo, Juan-Carlos Auvert, Geoffroy Sher, Meng-Ju Winkler, Mark T. Mazur, Eric Gambacorti, Narciso Gradecak, Silvija Bleuet, Pierre TI Selenium Segregation in Femtosecond-Laser Hyperdoped Silicon Revealed by Electron Tomography SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE electron tomography; HAADF-STEM; femtosecond pulsed laser irradiation; optical hyperdoping; dopant segregation ID 3-DIMENSIONAL RECONSTRUCTION; MICROSTRUCTURED SILICON; CRYOELECTRON TOMOGRAPHY; ANISOTROPIC DIFFUSION; INFRARED-ABSORPTION; DOPED SILICON; MISSING WEDGE; SEGMENTATION; IRRADIATION; RESOLUTION AB Doping of silicon with chalcogens (S, Se, Te) by femtosecond laser irradiation to concentrations well above the solubility limit leads to near-unity optical absorptance in the visible and infrared (IR) range and is a promising route toward silicon-based IR optoelectronics. However, open questions remain about the nature of the IR absorptance and in particular about the impact of the dopant distribution and possible role of dopant diffusion. Here we use electron tomography using a high-angle annular dark-field (HAADF) detector in a scanning transmission electron microscope (STEM) to extract information about the three-dimensional distribution of selenium dopants in silicon and correlate these findings with the optical properties of selenium-doped silicon. We quantify the tomography results to extract information about the size distribution and density of selenium precipitates. Our results show correlation between nanoscale distribution of dopants and the observed sub-band gap optical absorptance and demonstrate the feasibility of HAADF-STEM tomography for the investigation of dopant distribution in highly-doped semiconductors. C1 [Haberfehlner, Georg; Gambacorti, Narciso; Bleuet, Pierre] CEA, LETI, F-38054 Grenoble 9, France. [Smith, Matthew J.; Gradecak, Silvija] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Auvert, Geoffroy] STMicroelect, F-38926 Crolles, France. [Sher, Meng-Ju; Winkler, Mark T.; Mazur, Eric] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Sher, Meng-Ju; Winkler, Mark T.; Mazur, Eric] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. RP Haberfehlner, G (reprint author), CEA, LETI, MINATEC Campus,17 Rue Martyrs, F-38054 Grenoble 9, France. EM georg.haberfehlner@cea.fr RI Idrobo, Juan/H-4896-2015; OI Idrobo, Juan/0000-0001-7483-9034; Haberfehlner, Georg/0000-0003-4136-9384 FU MIT-France MISTI program; French Recherche Technologie de Base (RTB) program; Chesonis Family Foundation; Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Facility Program; Office of Basic Energy Sciences, the U.S. Department of Energy; National Science Foundation Graduate Research Fellowship Program FX This work was supported by the MIT-France MISTI program and by the French Recherche Technologie de Base (RTB) program. The authors acknowledge access to the nanocharacterization platform (PFNC) at Minatec Campus in Grenoble. Investigations were also supported by the Chesonis Family Foundation and by Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Facility Program (JCI), which is sponsored by the Office of Basic Energy Sciences, the U.S. Department of Energy. M.W. acknowledges support from the National Science Foundation Graduate Research Fellowship Program. NR 43 TC 3 Z9 3 U1 0 U2 26 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD JUN PY 2013 VL 19 IS 3 BP 716 EP 725 DI 10.1017/S1431927613000342 PG 10 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 146WQ UT WOS:000319126300024 PM 23570747 ER PT J AU Bragelmann, J Dagogo-Jack, I El Dinali, M Stricker, T Brown, CD Zuo, Z Khattri, A Keck, M McNerney, ME Longnecker, R Bieging, K Kocherginsky, M Alexander, K Salgia, R Lingen, MW Vokes, EE White, KP Cohen, EEW Seiwert, TY AF Braegelmann, J. Dagogo-Jack, I. El Dinali, M. Stricker, T. Brown, C. D. Zuo, Z. Khattri, A. Keck, M. McNerney, M. E. Longnecker, R. Bieging, K. Kocherginsky, M. Alexander, K. Salgia, R. Lingen, M. W. Vokes, E. E. White, K. P. Cohen, E. E. W. Seiwert, T. Y. TI Oral cavity tumors in younger patients show a poor prognosis and do not contain viral RNA SO ORAL ONCOLOGY LA English DT Article DE Oral cavity squamous cell carcinoma; RNA-Seq; Oncovirus ID SQUAMOUS-CELL CARCINOMA; BONE-MARROW-TRANSPLANTATION; ACTIVE HUMAN-PAPILLOMAVIRUS; OROPHARYNGEAL CANCER; TONGUE CANCER; NECK CANCERS; HUMAN CYTOMEGALOVIRUS; HEAD; SURVIVAL; HPV AB Background: Oral cavity and in particular oral tongue cancers occur with a rising incidence in younger patients often lacking the typical risk factors of tobacco use, alcohol use, and human papilloma virus (HPV) infection. Their prognosis when treated with chemoradiation has not been well studied and responsible risk factors remain elusive. A viral etiology (other than HPV) has been hypothesized. Methods: First we analyzed outcomes from 748 head and neck cancer patients with locoregionally advanced stage tumors treated with curative-intent chemoradiation by anatomic site. Second, we analyzed seven oral tongue (OT) tumors from young, non-smokers/non-drinkers for the presence of viral mRNA using short-read massively-parallel sequencing (RNA-Seq) in combination with a newly-developed digital subtraction method followed by viral screening and discovery algorithms. For positive controls we used an HPV16-positive HNC cell line, a cervical cancer, and an EBV-LMP2A transgene lymphoma. Results: Younger patients with oral cavity tumors had worse outcomes compared to non-oral cavity patients. Surprisingly none of the seven oral tongue cancers showed significant presence of viral transcripts. In positive controls the expected viral material was identified. Conclusion: Oral cavity tumors in younger patients have a poor prognosis and do not appear to be caused by a transcriptionally active oncovirus. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Braegelmann, J.; Dagogo-Jack, I.; El Dinali, M.; Zuo, Z.; Khattri, A.; Keck, M.; Salgia, R.; Vokes, E. E.; Cohen, E. E. W.; Seiwert, T. Y.] Univ Chicago, Dept Med, Sect Hematol Oncol, Chicago, IL 60637 USA. [Braegelmann, J.] Univ Bonn, Bonn, Germany. [McNerney, M. E.; White, K. P.] Univ Chicago, Inst Genom & Syst Biol, Chicago, IL 60637 USA. [McNerney, M. E.; Lingen, M. W.] Univ Chicago, Dept Pathol, Chicago, IL 60637 USA. [White, K. P.] Argonne Natl Labs, Argonne, IL USA. [Alexander, K.] Univ Chicago, Sect Pediat Infect Dis, Dept Pediat, Chicago, IL 60637 USA. [Longnecker, R.; Bieging, K.] Northwestern Univ, Feinberg Sch Med, Dept Microbiol & Immunol, Chicago, IL 60611 USA. [Kocherginsky, M.] Univ Chicago, Dept Med, Chicago, IL 60637 USA. [Alexander, K.; Salgia, R.; Lingen, M. W.; Vokes, E. E.; White, K. P.; Cohen, E. E. W.; Seiwert, T. Y.] Univ Chicago, Canc Res Ctr, Chicago, IL 60637 USA. [Stricker, T.] Vanderbilt Univ, Dept Pathol Microbiol & Immunol, Nashville, TN USA. [Brown, C. D.] Univ Penn, Dept Genet, Philadelphia, PA 19104 USA. RP Cohen, EEW (reprint author), Univ Chicago, 5841 S Maryland Ave,MC2115, Chicago, IL 60637 USA. EM ecohen@medicine.bsd.uchicago.edu; tseiwert@medicine.bsd.uchicago.edu OI Brown, Christopher/0000-0002-3785-5008 FU Flight Attendant Medical Research Institute (FAMRI); Public Health Service from National Cancer Institute [CA73507]; Carcinogenesis Training Program [T32CA009560]; Univ. of Chicago CTSA pilot grant; American Society of Clinical Oncology (ASCO) Translational Research Professorship; Ruth L. Kirchstein National Research Service Award Short-Term Institutional Research Training Grant [5T35DK062719-24] FX 1. T.S. is supported by a Young Clinical Scientist Award from the Flight Attendant Medical Research Institute (FAMRI).; 2. R.L. is supported by the Public Health Service grants CA73507 from the National Cancer Institute. K. B. is supported by the Carcinogenesis Training Program (T32CA009560).; 3. The authors acknowledge the Univ. of Chicago CTSA pilot grant funding, as well as the Gleason family.; 4. E.V. is supported by an American Society of Clinical Oncology (ASCO) Translational Research Professorship; 5. M.K. is supported bya Ruth L. Kirchstein National Research Service Award Short-Term Institutional Research Training Grant (5T35DK062719-24). NR 51 TC 10 Z9 11 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1368-8375 J9 ORAL ONCOL JI Oral Oncol. PD JUN PY 2013 VL 49 IS 6 BP 525 EP 533 DI 10.1016/j.oraloncology.2013.02.003 PG 9 WC Oncology; Dentistry, Oral Surgery & Medicine SC Oncology; Dentistry, Oral Surgery & Medicine GA 144EW UT WOS:000318923500009 PM 23490885 ER PT J AU Jagielski, J Jozwik, P Jozwik-Biala, I Kovarik, L Arey, B Gaca, J Jiang, W AF Jagielski, J. Jozwik, P. Jozwik-Biala, I. Kovarik, L. Arey, B. Gaca, J. Jiang, W. TI RBS/C, HRTEM and HRXRD study of damage accumulation in irradiated SrTiO3 SO RADIATION EFFECTS AND DEFECTS IN SOLIDS LA English DT Article DE damage accumulation; radiation defects; oxides; ion channeling; microscopy ID MONTE-CARLO SIMULATIONS; RADIATION; CERAMICS; DEFECT AB Damage accumulation in argon-irradiated SrTiO3 single crystals has been studied using a combination of Rutherford backscattering/channeling (RBS/C), high-resolution transmission electron microscopy (HRTEM) and high-resolution X-ray diffraction (HRXRD) techniques. The RBS/C spectra were fitted using McChasy, a Monte Carlo simulation code that allows for a quantitative analysis of amorphous-like and dislocation-like types of defects. The results were interpreted by using a multi-step damage accumulation model under the assumption that the damage accumulation occurs in a series of structural transformations that are triggered by lattice stress caused by formation of a free volume in the irradiated crystal. This assumption has been confirmed by HRTEM and HRXRD. C1 [Jagielski, J.; Jozwik, P.; Jozwik-Biala, I.; Gaca, J.] Inst Elect Mat Technol, Dept Microstruct Res, Warsaw, Poland. [Jagielski, J.; Jozwik, P.] Natl Ctr Nucl Res, Dept Mat Res, Otwock, Poland. [Kovarik, L.; Arey, B.; Jiang, W.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Jagielski, J (reprint author), Inst Elect Mat Technol, Dept Microstruct Res, Warsaw, Poland. EM jacek.jagielski@itme.edu.pl RI Jozwik, Przemyslaw/A-9562-2013; Kovarik, Libor/L-7139-2016; OI Jiang, Weilin/0000-0001-8302-8313 FU Polish Ministry of Science and Higher Education [714/N-EMSL/2010/0]; Nuclear Energy Research & Development, U.S. Department of Energy [DE-AC05-76RL01830]; EMSL Open Access project [34930]; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the research grant from the Polish Ministry of Science and Higher Education number 714/N-EMSL/2010/0 and the Nuclear Energy Research & Development, U.S. Department of Energy under Contract DE-AC05-76RL01830 and the EMSL Open Access project 34930. The 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. NR 14 TC 2 Z9 2 U1 0 U2 18 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1042-0150 EI 1029-4953 J9 RADIAT EFF DEFECT S JI Radiat. Eff. Defects Solids PD JUN 1 PY 2013 VL 168 IS 6 SI SI BP 442 EP 449 DI 10.1080/10420150.2013.787796 PG 8 WC Nuclear Science & Technology; Physics, Fluids & Plasmas; Physics, Condensed Matter SC Nuclear Science & Technology; Physics GA 143KG UT WOS:000318865800007 ER PT J AU Sun, AY Zeidouni, M Nicot, JP Lu, ZM Zhang, DX AF Sun, Alexander Y. Zeidouni, Mehdi Nicot, Jean-Philippe Lu, Zhiming Zhang, Dongxiao TI Assessing leakage detectability at geologic CO2 sequestration sites using the probabilistic collocation method SO ADVANCES IN WATER RESOURCES LA English DT Article DE Carbon sequestration and storage; Leakage detection; Probabilistic collocation method; Detectability; Signal-to-noise ratio; Uncertainty quantification ID HETEROGENEOUS POROUS-MEDIA; PARTIAL-DIFFERENTIAL-EQUATIONS; SOLUTE FLUX APPROACH; DEEP SALINE AQUIFER; RANDOM INPUT DATA; UNCERTAINTY ANALYSIS; POLYNOMIAL CHAOS; ABANDONED WELL; FLOW; TRANSPORT AB We present an efficient methodology for assessing leakage detectability at geologic carbon sequestration sites under parameter uncertainty. Uncertainty quantification (UQ) and risk assessment are integral and, in many countries, mandatory components of geologic carbon sequestration projects. A primary goal of risk assessment is to evaluate leakage potential from anthropogenic and natural features, which constitute one of the greatest threats to the integrity of carbon sequestration repositories. The backbone of our detectability assessment framework is the probability collocation method (PCM), an efficient, nonintrusive, uncertainty-quantification technique that can enable large-scale stochastic simulations that are based on results from only a small number of forward-model runs. The metric for detectability is expressed through an extended signal-to-noise ratio (SNR), which incorporates epistemic uncertainty associated with both reservoir and aquifer parameters. The spatially heterogeneous aquifer hydraulic conductivity is parameterized using Karhunen-Loeve (KL) expansion. Our methodology is demonstrated numerically for generating probability maps of pressure anomalies and for calculating SNRs. Results indicate that the likelihood of detecting anomalies depends on the level of uncertainty and location of monitoring wells. A monitoring well located close to leaky locations may not always yield the strongest signal of leakage when the level of uncertainty is high. Therefore, our results highlight the need for closed-loop site characterization, monitoring network design, and leakage source detection. (c) 2012 Elsevier Ltd. All rights reserved. C1 [Sun, Alexander Y.; Zeidouni, Mehdi; Nicot, Jean-Philippe] Univ Texas Austin, Bur Econ Geol, Jackson Sch Geosci, Austin, TX 78712 USA. [Lu, Zhiming] Los Alamos Natl Lab, Los Alamos, NM USA. [Zhang, Dongxiao] Peking Univ, Coll Engn, Beijing 100871, Peoples R China. RP Sun, AY (reprint author), Univ Texas Austin, Bur Econ Geol, Jackson Sch Geosci, Austin, TX 78712 USA. EM alex.sun@beg.utexas.edu RI Sun, Alexander/A-9959-2011; Zhang, Dongxiao/D-5289-2009; Nicot, Jean-Philippe/A-3954-2009; OI Zhang, Dongxiao/0000-0001-6930-5994; Lu, Zhiming/0000-0001-5800-3368 FU EPA STAR Grant [R834384] FX A. Sun, M. Zeidouni, and J.-P. Nicot are partly funded by EPA STAR Grant R834384. Publication authorized by the Director, Bureau of Economic Geology. The authors are grateful to the four anonymous reviewers and associated editor for their constructive comments NR 65 TC 31 Z9 32 U1 2 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD JUN PY 2013 VL 56 BP 49 EP 60 DI 10.1016/j.advwatres.2012.11.017 PG 12 WC Water Resources SC Water Resources GA 139SY UT WOS:000318605900005 ER PT J AU Adams, AS Aylward, FO Adams, SM Erbilgin, N Aukema, BH Currie, CR Suen, G Raffa, KF AF Adams, Aaron S. Aylward, Frank O. Adams, Sandye M. Erbilgin, Nadir Aukema, Brian H. Currie, Cameron R. Suen, Garret Raffa, Kenneth F. TI Mountain Pine Beetles Colonizing Historical and Naive Host Trees Are Associated with a Bacterial Community Highly Enriched in Genes Contributing to Terpene Metabolism SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; RANGE EXPANSION; GENOME ANNOTATION; CLIMATE-CHANGE; BOREAL FOREST; BARK BEETLES; RESIN ACIDS; IPS-PINI; BIODEGRADATION; SYSTEM AB The mountain pine beetle, Dendroctonus ponderosae, is a subcortical herbivore native to western North America that can kill healthy conifers by overcoming host tree defenses, which consist largely of high terpene concentrations. The mechanisms by which these beetles contend with toxic compounds are not well understood. Here, we explore a component of the hypothesis that beetle-associated bacterial symbionts contribute to the ability of D. ponderosae to overcome tree defenses by assisting with terpene detoxification. Such symbionts may facilitate host tree transitions during range expansions currently being driven by climate change. For example, this insect has recently breached the historical geophysical barrier of the Canadian Rocky Mountains, providing access to naive tree hosts and unprecedented connectivity to eastern forests. We use culture-independent techniques to describe the bacterial community associated with D. ponderosae beetles and their galleries from their historical host, Pinus contorta, and their more recent host, hybrid P. contorta-Pinus banksiana. We show that these communities are enriched with genes involved in terpene degradation compared with other plant biomass-processing microbial communities. These pine beetle microbial communities are dominated by members of the genera Pseudomonas, Rahnella, Serratia, and Burkholderia, and the majority of genes involved in terpene degradation belong to these genera. Our work provides the first metagenome of bacterial communities associated with a bark beetle and is consistent with a potential microbial contribution to detoxification of tree defenses needed to survive the subcortical environment. C1 [Adams, Aaron S.; Adams, Sandye M.; Raffa, Kenneth F.] Univ Wisconsin, Dept Entomol, Madison, WI 53706 USA. [Aylward, Frank O.; Adams, Sandye M.; Currie, Cameron R.; Suen, Garret] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Aylward, Frank O.; Currie, Cameron R.; Suen, Garret] Univ Wisconsin, Dept Energy, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Erbilgin, Nadir] Univ Alberta, Dept Renewable Resources, Edmonton, AB, Canada. [Aukema, Brian H.] Univ Minnesota, Dept Entomol, St Paul, MN USA. RP Suen, G (reprint author), Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. EM gsuen@wisc.edu; raffa@entomology.wisc.edu RI Erbilgin, Nadir/F-3675-2014; OI Erbilgin, Nadir/0000-0001-9912-8095; Suen, Garret/0000-0002-6170-711X FU USDA NRI [2008-02438]; University of Wisconsin; CALS; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-Fc02-07ER64494]; U.S. DOE Office of Science [DE-AC02-05CH1123] FX Funding for this study was obtained from the USDA NRI (2008-02438), the University of Wisconsin, CALS, and the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-Fc02-07ER64494). The work conducted by the U.S. DOE Joint Genome Institute was supported by the U.S. DOE Office of Science under contract no. DE-AC02-05CH1123. NR 55 TC 53 Z9 53 U1 9 U2 85 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JUN PY 2013 VL 79 IS 11 BP 3468 EP 3475 DI 10.1128/AEM.00068-13 PG 8 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 139UZ UT WOS:000318611800017 PM 23542624 ER PT J AU Raitsimring, A Astashkin, AV Enemark, JH Kaminker, I Goldfarb, D Walter, ED Song, Y Meade, TJ AF Raitsimring, A. Astashkin, A. V. Enemark, J. H. Kaminker, I. Goldfarb, D. Walter, E. D. Song, Y. Meade, T. J. TI Optimization of Pulsed-DEER Measurements for Gd-Based Labels: Choice of Operational Frequencies, Pulse Durations and Positions, and Temperature SO APPLIED MAGNETIC RESONANCE LA English DT Article ID ELECTRON-SPIN-ECHO; DISTANCE MEASUREMENTS; PARAMAGNETIC-RESONANCE; ENVELOPE MODULATION; EPR; ENDOR; SPECTROMETER; COMPLEXES; CENTERS; SYSTEMS AB In this work, the experimental conditions and parameters necessary to optimize the long-distance (a parts per thousand yen60 ) double electron-electron resonance (DEER) measurements of biomacromolecules labeled with Gd(III) tags are analyzed. The specific parameters discussed are the temperature, microwave band, the separation between the pumping and observation frequencies, pulse train repetition rate, pulse durations and pulse positioning in the electron paramagnetic resonance spectrum. It was found that: (1) in optimized DEER measurements, the observation pulses have to be applied at the maximum of the electron paramagnetic resonance spectrum; (2) the optimal temperature range for K-a-band measurements is 14-17 K, while in W-band the optimal temperatures are between 6 and 9 K; (iv) W-band is preferable to K-a-band for DEER measurements. Recent achievements and the conditions necessary for short-distance measurements (< 15 ) are also briefly discussed. C1 [Raitsimring, A.; Astashkin, A. V.; Enemark, J. H.] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. [Kaminker, I.; Goldfarb, D.] Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel. [Walter, E. D.] Pacific NW Natl Lab, EMSL, Richland, WA 99354 USA. [Song, Y.; Meade, T. J.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Meade, T. J.] Northwestern Univ, Dept Biochem Cell Biol & Mol Biol, Evanston, IL 60208 USA. [Meade, T. J.] Northwestern Univ, Dept Neurobiol & Physiol, Evanston, IL 60208 USA. [Meade, T. J.] Northwestern Univ, Dept Radiol, Evanston, IL 60208 USA. RP Raitsimring, A (reprint author), Univ Arizona, Dept Chem & Biochem, 1306 E Univ Blvd, Tucson, AZ 85721 USA. EM arnold@u.arizona.edu RI Walter, Eric/P-9329-2016 FU Binational Science Foundation (USA-Israel, BSF) [2006179]; NIH [1R01 EB005866-01, 5R01EB00586-6, S10RR020959]; NSF [DBI-0139459, DBI-9604939, BIR-922443]; Department of Energy's Office of Biological and Environmental Research FX This research was supported by the Binational Science Foundation (USA-Israel, BSF#2006179), NIH 1R01 EB005866-01, 5R01EB00586-6 and S10RR020959, NSF DBI-0139459, DBI-9604939 and BIR-922443. A portion 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. A. R. thanks Dr. A. Potapov for a helpful discussion of distance distribution function between Gd(III) in the trimer. NR 26 TC 13 Z9 13 U1 2 U2 32 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0937-9347 J9 APPL MAGN RESON JI Appl. Magn. Reson. PD JUN PY 2013 VL 44 IS 6 BP 649 EP 670 DI 10.1007/s00723-012-0434-6 PG 22 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 140MI UT WOS:000318657800001 PM 23687407 ER PT J AU Xu, C Reece, C Kelley, M AF Xu, Chen Reece, Charles Kelley, Michael TI Characterization of Nb SRF cavity materials by white light interferometry and replica techniques SO APPLIED SURFACE SCIENCE LA English DT Article DE Particle accelerator; Surface topography; Topography measurement; SRF accelerator ID SCANNING PROBE MICROSCOPY; ATOMIC-FORCE MICROSCOPY; SURFACES AB Much work has shown that the topography of the interior surface is an important contributor to the performance of Nb superconducting radiofrequency (SRF) accelerator cavities. Micron-scale topography is implicated in non-linear loss mechanisms that limit the useful accelerating gradient range and impact cryogenic cost. Aggressive final chemical treatments in cavity production seek to reliably obtain "smoothest" surfaces with superior performance. Process development suffers because the cavity interior surface cannot be viewed directly without cutting out pieces, rendering the cavities unavailable for further study. Here we explore replica techniques as an alternative, providing imprints of cavity internal surface that can be readily examined. A second matter is the topography measurement technique used. Atomic force microscopy (AFM) has proven successful, but too time intensive for routine use in this application. We therefore introduce white light interferometry (WLI) as an alternative approach. We examined real surfaces and their replicas, using AFM and WLI. We find that the replica/WLI is promising to provide the large majority of the desired information, recognizing that a trade-off is being made between best lateral resolution (AFM) and the opportunity to examine much more surface area (WLI). (C) 2013 Elsevier B.V. All rights reserved. C1 [Xu, Chen; Reece, Charles; Kelley, Michael] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Xu, Chen; Kelley, Michael] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23185 USA. RP Kelley, M (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM mkelley@jlab.org RI xu, chen/L-6824-2014; OI xu, chen/0000-0003-4782-7673; Reece, Charles/0000-0003-1939-8699 FU U.S. DOE [DE-AC05-06OR23177] FX Authored by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. The U.S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U.S. Government purposes. We are grateful to John Thornton of Bruker Nano for collecting the WLI data and for helpful comments on the manuscript. Chen Xu is grateful for discussions with Dr. Peter Takacs of Brookhaven National Laboratory and Dr N.P. Pitsianis of Duke University. NR 37 TC 7 Z9 7 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD JUN 1 PY 2013 VL 274 BP 15 EP 21 DI 10.1016/j.apsusc.2013.02.006 PG 7 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 139QK UT WOS:000318598600003 ER PT J AU Ke, J McNeil, M Price, L Khanna, NZ Zhou, N AF Ke, Jing McNeil, Michael Price, Lynn Khanna, Nina Zheng Zhou, Nan TI Estimation of CO2 emissions from China's cement production: Methodologies and uncertainties SO ENERGY POLICY LA English DT Article DE Cement industry; CO2 emissions; Uncertainty ID INDUSTRY AB In 2010, China's cement output was 1.9 Gt, which accounted for 56% of world cement production. Total carbon dioxide (CO2) emissions from Chinese cement production could therefore exceed 1.2 Gt. The magnitude of emissions from this single industrial sector in one country underscores the need to understand the uncertainty of current estimates of cement emissions in China. This paper compares several methodologies for calculating CO2 emissions from cement production, including the three main components of emissions: direct emissions from the calcination process for clinker production, direct emissions from fossil fuel combustion and indirect emissions from electricity consumption. This paper examines in detail the differences between common methodologies for each emission component, and considers their effect on total emissions. We then evaluate the overall level of uncertainty implied by the differences among methodologies according to recommendations of the Joint Committee for Guides in Metrology. We find a relative uncertainty in China's cement-related emissions in the range of 10 to 18%. This result highlights the importance of understanding and refining methods of estimating emissions in this important industrial sector. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Ke, Jing; McNeil, Michael; Price, Lynn; Khanna, Nina Zheng; Zhou, Nan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Ke, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, 1 Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA. EM jke@lbl.gov RI Ke, Jing/H-4816-2016 OI Ke, Jing/0000-0002-5972-8042 FU Energy Foundation and Dow Chemical Company (through a charitable contribution) through the Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Energy Foundation and Dow Chemical Company (through a charitable contribution) through the Department of Energy under contract No. DE-AC02-05CH11231. The authors thank David Fridley of Lawrence Berkeley National Laboratory for his comments and review. The authors thank the anonymous reviewers for their valuable comments and suggestions. NR 48 TC 19 Z9 25 U1 2 U2 44 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD JUN PY 2013 VL 57 BP 172 EP 181 DI 10.1016/j.enpol.2013.01.028 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 138SM UT WOS:000318530300022 ER PT J AU Hasanbeigi, A Morrow, W Masanet, E Sathaye, J Xu, TF AF Hasanbeigi, Ali Morrow, William Masanet, Eric Sathaye, Jayant Xu, Tengfang TI Energy efficiency improvement and CO2 emission reduction opportunities in the cement industry in China SO ENERGY POLICY LA English DT Article DE Energy-efficiency technology; Cost of energy saving; Cement industry AB China's annual cement production (i.e., 1868 Mt) in 2010 accounted for nearly half of the world's annual cement production in the same year. We identified and analyzed 23 energy efficiency technologies and measures applicable to the processes in China's cement industry. The Conservation Supply Curve (CSC) used in this study is an analytical tool that captures both the engineering and the economic perspectives of energy conservation. Using bottom-up CSC models, the cumulative cost-effective and technical electricity and fuel savings, as well as the CO2 emission reduction potentials for the Chinese cement industry for 2010-2030 are estimated. By comparison, the total final energy saving achieved by the implementation of these 23 efficiency measures in the Chinese cement industry over 20 years (2010-2030) is equal to 30% of the total primary energy supply of Latin America or Middle East or around 71% of primary energy supply of Brazil in 2007. In addition, a sensitivity analysis with respect to the discount rate is conducted to assess its effect on the results. The result of this study gives a comprehensive and easy to understand perspective to the Chinese cement industry and policy makers about the energy efficiency potential and its associated cost. Published by Elsevier Ltd. C1 [Hasanbeigi, Ali; Morrow, William; Masanet, Eric; Sathaye, Jayant; Xu, Tengfang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Masanet, Eric] Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. RP Hasanbeigi, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, 1 Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA. EM AHasanbeigi@lbl.gov RI Masanet, Eric /I-5649-2012; OI Morrow, William/0000-0001-6640-5711 FU Climate Economics Branch, Climate Change Division of U.S. Environmental Protection Agency [DE-AC02-05CH11231]; U.S. Department of Energy FX This study is sponsored by Climate Economics Branch, Climate Change Division of U.S. Environmental Protection Agency, under Contract no. DE-AC02-05CH11231, with the U.S. Department of Energy. This report benefits from the guidance and recommendations provided by Eric Smith and Bella Tonkonogy of Climate Economics Branch, Climate Change Division of the U.S. Environmental Protection Agency. The authors are grateful to Mr. Yu Xufei from Cement Industry Energy Efficiency and Environmental Protection Evaluation and Test Center of China Building Material Industry in Hefei and Mr. Steven Wang from Institute of Technical Information for Building Materials Industry of China (ITIBMIC) for their valuable assistance in obtaining data from the Chinese cement industry. At LBNL, the authors gratefully acknowledge Lynn Price, David Fridley, Nina Zheng, and Hongyou Lu for their valuable input and research assistance on this study. Finally, the authors would like to thank Barbara Adams for her assistance in processing the publication of this report. NR 33 TC 38 Z9 42 U1 6 U2 58 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD JUN PY 2013 VL 57 BP 287 EP 297 DI 10.1016/j.enpol.2013.01.053 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 138SM UT WOS:000318530300033 ER PT J AU Therkelsen, P McKane, A AF Therkelsen, Peter McKane, Aimee TI Implementation and rejection of industrial steam system energy efficiency measures SO ENERGY POLICY LA English DT Article DE Steam system efficiency; Industrial energy efficiency; Industrial energy efficiency barriers ID BARRIERS; SMES AB Steam systems consume approximately one third of energy applied at US industrial facilities. To reduce energy consumption, steam system energy assessments have been conducted on a wide range of industry types over the course of 5 years through the Energy Savings Assessment (ESA) program administered by the US Department of Energy (US DOE). ESA energy assessments result in energy efficiency measure recommendations that are given potential energy and energy cost savings and potential implementation cost values. Saving and cost metrics that measure the impact recommended measures will have at facilities, described as percentages of facility baseline energy and energy cost, are developed from ESA data and used in analyses. Developed savings and cost metrics are examined along with implementation and rejection rates of recommended steam system energy efficiency measures. Based on analyses, implementation of steam system energy efficiency measures is driven primarily by cost metrics: payback period and measure implementation cost as a percentage of facility baseline energy cost (implementation cost percentage). Stated reasons for rejecting recommended measures are primarily based upon economic concerns. Additionally, implementation rates of measures are not only functions of savings and cost metrics, but time as well. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Therkelsen, Peter; McKane, Aimee] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, High Tech Bldg & Ind Syst Grp, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Therkelsen, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, High Tech Bldg & Ind Syst Grp, Environm Energy Technol Div, 1 Cyclotron Rd MS 70-108B, Berkeley, CA 94720 USA. EM ptherkelsen@lbl.gov FU Energy Efficiency Department, Advanced Manufacturing Office, of the US Department of Energy; US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Energy Efficiency Department, Advanced Manufacturing Office, of the US Department of Energy.; This manuscript has been authored by an author at Lawrence Berkeley National Laboratory under Contract no. DE-AC02-05CH11231 with the US Department of Energy. The US Government retains, and the publisher, by accepting the article for publication, acknowledges, that the US 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 US Government purposes. NR 25 TC 4 Z9 4 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD JUN PY 2013 VL 57 BP 318 EP 328 DI 10.1016/j.enpol.2013.02.003 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 138SM UT WOS:000318530300036 ER PT J AU Egbendewe-Mondzozo, A Swinton, SM Izaurralde, RC Manowitz, DH Zhang, XS AF Egbendewe-Mondzozo, Aklesso Swinton, Scott M. Izaurralde, R. Cesar Manowitz, David H. Zhang, Xuesong TI Maintaining environmental quality while expanding biomass production: Sub-regional US policy simulations SO ENERGY POLICY LA English DT Article DE Bioenergy; Environmental policy; Environmental policy integrated climate (EPIC) ID GREENHOUSE-GAS MITIGATION; MODELING FRAMEWORK; CROP FEEDSTOCK; AGRICULTURE; ETHANOL; COST; EXPANSION; DELIVERY; SYSTEMS AB This paper evaluates environmental policy effects on ligno-cellulosic biomass production and environmental outcomes using an integrated bioeconomic optimization model. The environmental policy integrated climate (EPIC) model is used to simulate crop yields and environmental indicators in current and future potential bioenergy cropping systems based on weather, topographic and soil data. The crop yield and environmental outcome parameters from EPIC are combined with biomass transport costs and economic parameters in a representative farmer profit-maximizing mathematical optimization model. The model is used to predict the impact of alternative policies on biomass production and environmental outcomes. We find that without environmental policy, rising biomass prices initially trigger production of annual crop residues, resulting in increased greenhouse gas emissions, soil erosion, and nutrient losses to surface and ground water. At higher biomass prices, perennial bioenergy crops replace annual crop residues as biomass sources, resulting in lower environmental impacts. Simulations of three environmental policies namely a carbon price, a no-till area subsidy, and a fertilizer tax reveal that only the carbon price policy systematically mitigates environmental impacts. The fertilizer tax is ineffectual and too costly to farmers. The no-till subsidy is effective only at low biomass prices and is too costly to government. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Egbendewe-Mondzozo, Aklesso] Fdn Eni Enrico Mattei, I-20123 Milan, Italy. [Egbendewe-Mondzozo, Aklesso] Euromediterranean Ctr Climate Change, I-20123 Milan, Italy. [Swinton, Scott M.] Michigan State Univ, Dept Agr Food & Resource Econ, E Lansing, MI 48824 USA. [Swinton, Scott M.] Michigan State Univ, GLBRC, E Lansing, MI 48824 USA. [Izaurralde, R. Cesar; Manowitz, David H.; Zhang, Xuesong] Pacific NW Natl Lab, JGCRI, College Pk, MD 20740 USA. [Izaurralde, R. Cesar; Manowitz, David H.; Zhang, Xuesong] Univ Maryland, College Pk, MD 20740 USA. RP Egbendewe-Mondzozo, A (reprint author), Fdn Eni Enrico Mattei, Corso Magenta 63, I-20123 Milan, Italy. EM emaklesso@gmail.com; swintons@msu.edu; cesar.izaurralde@pnnl.gov; David.Manowitz@pnnl.gov; Xuesong.Zhang@pnl.gov RI zhang, xuesong/B-7907-2009 FU U.S. Department of Energy Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494, KP1601050]; U.S. Department of Energy Great Lakes Bioenergy Research Center (DOE EERE OBP) [20469-19145] FX This work was funded by the U.S. Department of Energy Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494, DOE BER Office of Science KP1601050, DOE EERE OBP 20469-19145). This research was conducted while the first author was a Visiting Assistant Professor at Michigan State University (MSU) and Researcher at the Great Lakes Bioenergy Research Center (GLBRC). For comments the authors wish to thank Randy Jackson at the University of Wisconsin-Madison. NR 37 TC 7 Z9 7 U1 2 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD JUN PY 2013 VL 57 BP 518 EP 531 DI 10.1016/j.enpol.2013.02.021 PG 14 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 138SM UT WOS:000318530300055 ER PT J AU De Kauwe, MG Medlyn, BE Zaehle, S Walker, AP Dietze, MC Hickler, T Jain, AK Luo, YQ Parton, WJ Prentice, IC Smith, B Thornton, PE Wang, SS Wang, YP Warlind, D Weng, ES Crous, KY Ellsworth, DS Hanson, PJ Seok Kim, H Warren, JM Oren, R Norby, RJ AF De Kauwe, Martin G. Medlyn, Belinda E. Zaehle, Soenke Walker, Anthony P. Dietze, Michael C. Hickler, Thomas Jain, Atul K. Luo, Yiqi Parton, William J. Prentice, I. Colin Smith, Benjamin Thornton, Peter E. Wang, Shusen Wang, Ying-Ping Warlind, David Weng, Ensheng Crous, Kristine Y. Ellsworth, David S. Hanson, Paul J. Seok Kim, Hyun- Warren, Jeffrey M. Oren, Ram Norby, Richard J. TI Forest water use and water use efficiency at elevated CO2: a model-data intercomparison at two contrasting temperate forest FACE sites SO GLOBAL CHANGE BIOLOGY LA English DT Review DE climate change; CO2 fertilization; elevated CO2; FACE; models; plant physiology; stomatal conductance; water ID CARBON-DIOXIDE CONCENTRATIONS; RISING ATMOSPHERIC CO2; GLOBAL CLIMATE MODEL; LONG-TERM EXPOSURE; STOMATAL CONDUCTANCE; LOBLOLLY-PINE; SAP FLUX; MESOPHYLL CONDUCTANCE; PRIMARY PRODUCTIVITY; LEAF PHOTOSYNTHESIS AB Predicted responses of transpiration to elevated atmospheric CO2 concentration (eCO2) are highly variable amongst process-based models. To better understand and constrain this variability amongst models, we conducted an intercomparison of 11 ecosystem models applied to data from two forest free-air CO2 enrichment (FACE) experiments at Duke University and Oak Ridge National Laboratory. We analysed model structures to identify the key underlying assumptions causing differences in model predictions of transpiration and canopy water use efficiency. We then compared the models against data to identify model assumptions that are incorrect or are large sources of uncertainty. We found that model-to-model and model-to-observations differences resulted from four key sets of assumptions, namely (i) the nature of the stomatal response to elevated CO2 (coupling between photosynthesis and stomata was supported by the data); (ii) the roles of the leaf and atmospheric boundary layer (models which assumed multiple conductance terms in series predicted more decoupled fluxes than observed at the broadleaf site); (iii) the treatment of canopy interception (large intermodel variability, 215%); and (iv) the impact of soil moisture stress (process uncertainty in how models limit carbon and water fluxes during moisture stress). Overall, model predictions of the CO2 effect on WUE were reasonable (intermodel =approximately 28%+/- 10%) compared to the observations (=approximately 30%+/- 13%) at the well-coupled coniferous site (Duke), but poor (intermodel =approximately 24%+/- 6%; observations =approximately 38%+/- 7%) at the broadleaf site (Oak Ridge). The study yields a framework for analysing and interpreting model predictions of transpiration responses to eCO2, and highlights key improvements to these types of models. C1 [De Kauwe, Martin G.; Medlyn, Belinda E.; Prentice, I. Colin] Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia. [Zaehle, Soenke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, D-07745 Jena, Germany. [Walker, Anthony P.; Thornton, Peter E.; 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.; Hanson, Paul J.; Warren, Jeffrey M.; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Dietze, Michael C.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 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. [Jain, Atul K.] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. [Luo, Yiqi; Weng, Ensheng] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Parton, William J.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Smith, Benjamin; Warlind, David] Lund Univ, Dept Phys Geog & Ecosyst Sci, S-22363 Lund, Sweden. [Wang, Shusen] Nat Resources Canada, Canada Ctr Remote Sensing, Ottawa, ON K1A 0E4, Canada. [Wang, Ying-Ping] KkCSIRO Marine & Atmospher Res, Aspendale, Vic 3195, Australia. [Wang, Ying-Ping] Ctr Australian Weather & Climate Res, Aspendale, Vic 3195, Australia. [Crous, Kristine Y.; Ellsworth, David S.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Seok Kim, Hyun-] Seoul Natl Univ, Dept Forest Sci, Coll Agr & Life Sci, Seoul 151742, South Korea. [Oren, Ram] Duke Univ, Nicholas Sch Environm, Div Environm Sci & Policy, 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, N Ryde, NSW 2109, Australia. EM mdekauwe@gmail.com RI Zaehle, Sonke/C-9528-2017; Jain, Atul/D-2851-2016; Warren, Jeffrey/B-9375-2012; Hanson, Paul J./D-8069-2011; Dietze, Michael/A-5834-2009; Weng, Ensheng/E-4390-2012; Warlind, David/A-5109-2015; Norby, Richard/C-1773-2012; Thornton, Peter/B-9145-2012; Walker, Anthony/G-2931-2016; Smith, Benjamin/I-1212-2016; Hickler, Thomas/S-6287-2016 OI Ellsworth, David/0000-0002-9699-2272; Medlyn, Belinda/0000-0001-5728-9827; Wang, Shusen/0000-0003-1860-899X; Zaehle, Sonke/0000-0001-5602-7956; Jain, Atul/0000-0002-4051-3228; Warren, Jeffrey/0000-0002-0680-4697; Hanson, Paul J./0000-0001-7293-3561; Dietze, Michael/0000-0002-2324-2518; Weng, Ensheng/0000-0002-1858-4847; Norby, Richard/0000-0002-0238-9828; Thornton, Peter/0000-0002-4759-5158; Walker, Anthony/0000-0003-0557-5594; Crous, Kristine/0000-0001-9478-7593; Smith, Benjamin/0000-0002-6987-5337; Hickler, Thomas/0000-0002-4668-7552 FU NSF [EF-0553768]; University of California, Santa Barbara; State of California; Office of Science (BER) of US Department of Energy through Terrestrial Carbon Processes (TCP) program (FACE) [DE-FG02-95ER62083]; ARC Discovery Grant [DP1094791]; Marie Curie Reintegration Grant JULIA [PERG02-GA-2007-224775]; UK National Centre for Earth Observation (NCEO); LOEWE initiative for scientific and economic excellence of the German federal state of Hesse FX This study 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. Duke FACE research was supported by the Office of Science (BER) of US Department of Energy through Terrestrial Carbon Processes (TCP) program (FACE, DE-FG02-95ER62083). Martin De Kauwe was supported by ARC Discovery Grant DP1094791. Sonke Zaehle was supported by the Marie Curie Reintegration Grant JULIA (PERG02-GA-2007-224775). Anthony Walker was supported by a PhD studentship funded by the UK National Centre for Earth Observation (NCEO). Thomas Hickler was funded through the LOEWE initiative for scientific and economic excellence of the German federal state of Hesse. David Warlind and Benjamin Smith contribute to the strategic research areas BECC, MERGE and LUCCI. NR 101 TC 91 Z9 92 U1 20 U2 290 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD JUN PY 2013 VL 19 IS 6 BP 1759 EP 1779 DI 10.1111/gcb.12164 PG 21 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 136HP UT WOS:000318353300010 PM 23504858 ER PT J AU Brereton, S AF Brereton, Sandra TI OVERVIEW OF THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE fusion; lasers; neutrons; tritium AB The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory is the world's largest and most energetic laser system for inertial confinement fusion (ICF) and experiments studying high energy density (HED) science. The NIF is a 192-beam, Nd-glass laser facility that is capable of producing 1.8 MJ, 500 TW of ultraviolet light, and over 50 times more energetic than other existing ICF facilities. The NIF construction began in 1997, and the facility, which was completed in 2009, is now fully operational. The facility is capable of firing up to 192 laser beams onto a target placed at the center of a 10-m-diameter spherical target chamber. Experiments involving the use of tritium have been underway for some time. These experiments present radiological issues: prompt neutron/gamma radiation, neutron activation, fission product generation, and decay radiation. This paper provides an introduction to the NIF facility and its operation, describes plans for the experimental program, and discusses radiological issues associated with the NIF's operations. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Brereton, S (reprint author), Lawrence Livermore Natl Lab, L-454,POB 808, Livermore, CA 94551 USA. EM brereton1@llnl.gov FU Lawrence Livermore National Security, LLC [DE-AC52-07NA27344] FX This work was performed under the auspices of the Lawrence Livermore National Security, LLC, under Contract No. DE-AC52-07NA27344. NR 7 TC 1 Z9 1 U1 0 U2 31 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 JUN PY 2013 VL 104 IS 6 BP 544 EP 556 DI 10.1097/HP.0b013e31828cf5cd PG 13 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 138BS UT WOS:000318483900001 PM 23629059 ER PT J AU Kohut, TR Brereton, SJ Khater, H AF Kohut, Thomas R. Brereton, Sandra J. Khater, Hesham TI RADIOLOGICAL DESIGN ASPECTS OF THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE fusion; radioactivity; airborne; shielding; ventilation AB The National Ignition Facility (NIF) has been designed to accommodate some challenging radiological conditions. The high prompt neutron source (up to 1.6 x 10(19) neutrons per shot) results in the need for significant fixed shielding. Concrete shielding approximately 2 m thick is used for the primary (target bay) shield. Penetrations in this shield, including those required for 192 laser beams, utilities, diagnostics, and 19 shielded personnel access doors, make the design challenging. An additional 28 shield doors are part of the secondary shield. In addition, the prompt neutron pulse results in activated air within the target bay, requiring special ventilation considerations. Finally, targets can use a number of hazardous and radioactive materials including tritium, beryllium, and depleted uranium (the latter of which results in the generation of small quantities of fission products). Frequent access is required to the associated potentially contaminated volumes for experimental setup, facilitating the need for local exhaust ventilation to manage these hazards. This paper reviews some of these challenges, design considerations, and the engineering solutions to these design requirements. C1 [Kohut, Thomas R.; Brereton, Sandra J.; Khater, Hesham] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kohut, TR (reprint author), Lawrence Livermore Natl Lab, L-760, Livermore, CA 94551 USA. EM kohut2@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 2 TC 1 Z9 1 U1 1 U2 10 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 JUN PY 2013 VL 104 IS 6 BP 557 EP 562 DI 10.1097/HP.0b013e31828cfb2c PG 6 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 138BS UT WOS:000318483900002 PM 23629060 ER PT J AU Reed, RK Bell, JC AF Reed, Robert K. Bell, Jayce C. TI SAFETY SYSTEMS AND ACCESS CONTROL IN THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE computers; lasers; occupational safety; radiation protection AB The National Ignition Facility (NIF) is the world's largest and most energetic laser system. The facility has the potential to generate ionizing radiation due to the interaction between the laser beams and target material, with neutrons and gamma rays being produced during deuterium-tritium fusion reactions. To perform these experiments, several types of hazards must be mitigated and controlled to ensure personnel safety. NIF uses a real-time safety system to monitor and mitigate the hazards presented by the facility. The NIF facility Safety Interlock System (SIS) monitors for oxygen deficiency and controls access to the facility preventing exposure to laser light and radiation from the Radiation Generating Devices. It also interfaces to radiation monitoring and other radiological monitoring and alarm systems. The SIS controls permissives to the hazard-generating equipment and annunciates hazard levels in the facility. To do this reliably and safely, the SIS has been designed as a fail-safe system with a proven performance record now spanning over 10 y. This paper discusses the SIS, its design, implementation, operator interfaces, validation/verification, and the hazard mitigation approaches employed in the NIF. A brief discussion of the Failure Modes and Effect Analysis supporting the SIS will also be presented. The paper ends with a general discussion of SIS do's and don'ts and common design flaws that should be avoided in SIS design. C1 [Reed, Robert K.; Bell, Jayce C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Reed, RK (reprint author), Lawrence Livermore Natl Lab, L-760, Livermore, CA 94551 USA. EM reed7@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 0 TC 0 Z9 0 U1 1 U2 6 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 JUN PY 2013 VL 104 IS 6 BP 563 EP 570 DI 10.1097/HP.0b013e31828cfb46 PG 8 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 138BS UT WOS:000318483900003 PM 23629061 ER PT J AU Draggoo, V AF Draggoo, Vaughn TI TRITIUM AND IGNITION TARGET MANAGEMENT AT THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE computers; hydrogen; lasers; tritium AB Isotopic mixtures of hydrogen constitute the basic fuel for fusion targets of the National Ignition Facility (NIF). A typical NIF fusion target shot requires approximately 0.5 mmoles of hydrogen gas and as much as 750 GBq (20 Ci) of H-3. Isotopic mix ratios are specified according to the experimental shot/test plan and the associated test objectives. The hydrogen isotopic concentrations, absolute amounts, gas purity, configuration of the target, and the physical configuration of the NIF facility are all parameters and conditions that must be managed to ensure the quality and safety of operations. An essential and key step in the preparation of an ignition target is the formation of a similar to 60 mu m thick hydrogen "ice" layer on the inner surface of the target capsule. The Cryogenic Target Positioning System (Cryo-Tarpos) provides gas handling, cyro-cooling, x-ray imaging systems, and related instrumentation to control the volumes and temperatures of the multiphase (solid, liquid, and gas) hydrogen as the gas is condensed to liquid, admitted to the capsule, and frozen as a single spherical crystal of hydrogen in the capsule. The hydrogen fuel gas is prepared in discrete 1.7 cc aliquots in the LLNL Tritium Facility for each ignition shot. Post-shot hydrogen gas is recovered in the NIF Tritium Processing System (TPS). Gas handling systems, instrumentation and analytic equipment, material accounting information systems, and the shot planning systems must work together to ensure that operational and safety requirements are met. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Draggoo, V (reprint author), Lawrence Livermore Natl Lab, L-462, Livermore, CA 94551 USA. EM draggoo1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 1 TC 1 Z9 1 U1 0 U2 8 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 JUN PY 2013 VL 104 IS 6 BP 571 EP 579 DI 10.1097/HP.0b013e31828cfd17 PG 9 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 138BS UT WOS:000318483900004 PM 23629062 ER PT J AU Khater, H Brereton, S Dauffy, L Hall, J Hansen, L Kim, S Kohut, T Pohl, B Sitaraman, S Verbeke, J Young, M AF Khater, Hesham Brereton, Sandra Dauffy, Lucile Hall, Jim Hansen, Luisa Kim, Soon Kohut, Tom Pohl, Bertram Sitaraman, Shiva Verbeke, Jerome Young, Mitchell TI ANALYSIS OF DECAY DOSE RATES AND DOSE MANAGEMENT IN THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE fusion; dose; dose assessment; neutrons AB A detailed model of the Target Bay (TB) at the National Ignition Facility (NIF) has been developed to estimate the post-shot radiation environment inside the facility. The model includes the large number of structures and diagnostic instruments present inside the TB. These structures and instruments are activated by neutrons generated during a shot, and the resultant gamma dose rates are estimated at various decay times following the shot. A set of computational tools was developed to help in estimating potential radiation exposure to TB workers. The results presented in this paper describe the expected radiation environment inside the TB following a low-yield DT shot of 10(16) neutrons. General environment dose rates drop below 30 mu Sv h(-1) within 3 h following a shot, with higher dose rates observed in the vicinity (similar to 30 cm) of few components. The dose rates drop by more than a factor of two at 1 d following the shot. Dose rate maps of the different TB levels were generated to aid in estimating worker stay-out times following a shot before entry is permitted into the TB. Primary components, including the Target Chamber and diagnostic and beam line components, are constructed of aluminum. Near-term TB accessibility is driven by the decay of the aluminum activation product, Na-24. Worker dose is managed using electronic dosimeters (EDs) self-issued at kiosks using commercial dose management software. The software programs the ED dose and dose rate alarms based on the Radiological Work Permit (RWP) and tracks dose by individual, task, and work group. C1 [Khater, Hesham; Brereton, Sandra; Dauffy, Lucile; Hall, Jim; Hansen, Luisa; Kim, Soon; Kohut, Tom; Pohl, Bertram; Sitaraman, Shiva; Verbeke, Jerome; Young, Mitchell] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Khater, H (reprint author), Lawrence Livermore Natl Lab, POB 808,L-550, Livermore, CA 94550 USA. EM khater1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 8 TC 3 Z9 3 U1 2 U2 12 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 JUN PY 2013 VL 104 IS 6 BP 580 EP 588 DI 10.1097/HP.0b013e31828d0134 PG 9 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 138BS UT WOS:000318483900005 PM 23629063 ER PT J AU Datte, P Eckart, M Jackson, M Khater, H Manuel, S Newton, M AF Datte, Philip Eckart, Mark Jackson, Mark Khater, Hesham Manuel, Stacie Newton, Mark TI MANAGING NIF SAFETY EQUIPMENT IN A HIGH NEUTRON AND GAMMA RADIATION ENVIRONMENT SO HEALTH PHYSICS LA English DT Article DE neutron activation; occupational safety; radiation damage; radiation protection AB The National Ignition Facility (NIF) is a 192 laser beam facility that supports the Inertial Confinement Fusion program. During the ignition experimental campaign, the NIF is expected to perform shots with varying fusion yield producing 14 MeV neutrons up to 20 MJ or 7.1 x 10(18) neutrons per shot and a maximum annual yield of 1,200 MJ. Several infrastructure support systems will be exposed to varying high yield shots over the facility's 30-y life span. In response to this potential exposure, analysis and testing of several facility safety systems have been conducted. A detailed MCNP (Monte Carlo N-Particle Transport Code) model has been developed for the NIF facility, and it includes most of the major structures inside the Target Bay. The model has been used in the simulation of expected neutron and gamma fluences throughout the Target Bay. Radiation susceptible components were identified and tested to fluences greater than 10(13) (n cm(-2)) for 14 MeV neutrons and gamma-ray equivalent. The testing includes component irradiation using a Co-60 gamma source and accelerator-based irradiation using 4- and 14- MeV neutron sources. The subsystem implementation in the facility is based on the fluence estimates after shielding and survivability guidelines derived from the dose maps and component tests results. This paper reports on the evaluation and implementation of mitigations for several infrastructure safety support systems, including video, oxygen monitoring, pressure monitors, water sensing systems, and access control interfaces found at the NIF. C1 [Datte, Philip; Eckart, Mark; Jackson, Mark; Khater, Hesham; Manuel, Stacie; Newton, Mark] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Datte, P (reprint author), Lawrence Livermore Natl Lab, L-440, Livermore, CA 94551 USA. EM Datte1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 3 TC 1 Z9 1 U1 2 U2 14 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 JUN PY 2013 VL 104 IS 6 BP 589 EP 596 DI 10.1097/HP.0b013e31828d0156 PG 8 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 138BS UT WOS:000318483900006 PM 23629064 ER PT J AU Brereton, SJ Papp, F AF Brereton, Sandra J. Papp, Frank TI ASSURING OPERATIONAL READINESS OF THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE lasers; neutrons; occupational safety; radiation protection AB National Ignition Facility experiments involve the use of a variety of materials that generate a number of radiological issues. Along with the use of tritium and depleted uranium, shots generating neutrons create prompt radiation fields as well as fission and activation products. In order to assure readiness for these hazards, a series of readiness reviews was conducted as the hazards were introduced. Each step was built upon the previous steps, as well as the basic infrastructure and operating capability of the laser facility. A detailed preparation plan for the introduction of these hazards was developed. This included ensuring required equipment was in place and ready, all plans and procedures were developed, and personnel were trained and qualified to perform work in the environment. The approach for preparing the facility for operations under the new set of conditions, the preparations for the readiness reviews, the review process, as well as the approach to initial operations are discussed. C1 [Brereton, Sandra J.; Papp, Frank] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Brereton, SJ (reprint author), Lawrence Livermore Natl Lab, L-454,POB 808, Livermore, CA 94551 USA. EM brereton1@llnl.gov FU Lawrence Livermore National Security, LLC, (LLNS) [DE-AC52-07NA27344] FX This work was performed under the auspices of the Lawrence Livermore National Security, LLC, (LLNS) under Contract No. DE-AC52-07NA27344. NR 4 TC 0 Z9 0 U1 0 U2 5 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 JUN PY 2013 VL 104 IS 6 BP 597 EP 605 DI 10.1097/HP.0b013e31828d2e4c PG 9 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 138BS UT WOS:000318483900007 PM 23629065 ER PT J AU Kohut, TR Thacker, RL Beale, RM Dillon, JT AF Kohut, Thomas R. Thacker, Rick L. Beale, Richard M. Dillon, Jon T. TI STANDING UP THE NATIONAL IGNITION FACILITY RADIATION PROTECTION PROGRAM SO HEALTH PHYSICS LA English DT Article DE emergency planning; occupational safety; radiation protection; radioactive materials AB Operation of the NIF requires a large and varied number of routine and infrequent activities involving contaminated and radioactive systems, both in servicing online equipment and offline refurbishment of components. Routine radiological operations include up to several dozen entries into contaminated systems per day, multiple laboratories refurbishing radiologically impacted parts, handling of tens of curies of tritium, and (eventually) tens of workers spending most of their day working in radiation areas and handling moderately activated parts. Prior to the introduction of radioactive materials and neutron producing experiments (capable of causing activation), very few of the operating staff had any radiological qualifications or experience. To support the full NIF operating program, over 600 radiological workers needed to be trained, and a functional and large-scale radiological protection program needed to be put in place. It quickly became evident that there was a need to supplement the LLNL site radiological protection staff with additional radiological controls technicians and a radiological protection staff within NIF operations to manage day-to-day activities. This paper discusses the approach taken to stand up the radiological protection program and some lessons learned. C1 [Kohut, Thomas R.; Thacker, Rick L.; Beale, Richard M.; Dillon, Jon T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kohut, TR (reprint author), Lawrence Livermore Natl Lab, L-760, Livermore, CA 94551 USA. EM kohut2@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 2 TC 1 Z9 1 U1 1 U2 4 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 JUN PY 2013 VL 104 IS 6 BP 606 EP 610 DI 10.1097/HP.0b013e31828d2e67 PG 5 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 138BS UT WOS:000318483900008 PM 23629066 ER PT J AU Thacker, RL AF Thacker, Rick L. TI EXPERIENCES MANAGING RADIOACTIVE MATERIAL AT THE NATIONAL IGNITION FACILITY SO HEALTH PHYSICS LA English DT Article DE contamination; fusion; lasers; neutrons AB National Ignition Facility at Lawrence Livermore National Laboratory is the world's largest and most energetic laser system for inertial confinement fusion and experiments studying high energy density science. Many experiments performed at the National Ignition Facility involve radioactive materials; these may take the form of tritium and small quantities of depleted uranium used in targets, activation products created by neutron-producing fusion experiments, and fission products produced by the fast fissioning of the depleted uranium. While planning for the introduction of radioactive material, it was recognized that some of the standard institutional processes would need to be customized to accommodate aspects of NIF operations, such as surface contamination limits, radiological postings, airborne tritium monitoring protocols, and personnel protective equipment. These customizations were overlaid onto existing work practices to accommodate the new hazard of radioactive materials. This paper will discuss preparations that were made prior to the introduction of radioactive material, the types of radiological work activities performed, and the hazards and controls encountered. Updates to processes based on actual monitoring results are also discussed. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Thacker, RL (reprint author), Lawrence Livermore Natl Lab, L-449, Livermore, CA 94551 USA. EM thacker3@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX The author would like to thank Sandra Brereton, Kenneth Kasper, and Kathleen Shingleton for their invaluable comments on the manuscript. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 0 TC 1 Z9 1 U1 1 U2 6 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 JUN PY 2013 VL 104 IS 6 BP 611 EP 622 DI 10.1097/HP.0b013e31828d2e7d PG 12 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 138BS UT WOS:000318483900009 PM 23629067 ER PT J AU Dillon, JT AF Dillon, Jon T. TI IMPLEMENTING AN OPERATIONAL PROGRAM FOR DETERMINING THE RADIOLOGICAL STATUS OF MATERIAL AND EQUIPMENT SO HEALTH PHYSICS LA English DT Article DE instrumentation; neutron activation; radioactivity, residual; surveys AB National Ignition Facility at the Lawrence Livermore National Laboratory has implemented a protocol for evaluating and releasing material and equipment that is potentially "volumetrically contaminated" as a result of neutron activation and shown not to be "distinguishable from background." This protocol is an important element of the National Ignition Facility's operational program as the U.S. Department of Energy's (DOE) Order 458.1, Radiation Protection of the Public and the Environment, requires DOE approval of the process used to release volumetrically contaminated personal property and establishes a dose constraint of 10 mu Sv y(-1) (1 mrem y(-1)) for clearance of such items. The protocol uses process and historical knowledge to determine when material and equipment may be potentially impacted and field measurements to verify it has been impacted (i.e., is distinguishable from background). Material and equipment that do not meet the distinguishable-from-background criterion are considered to be non-impacted and outside the scope of the Order and may be released from radiological control. This paper provides the technical basis and methodology for determining whether or not there is radioactivity distinguishable from background in the evaluated material and equipment and documents that the measurement sensitivity exceeds the unrestricted release criteria specified in the American National Standards Institute report N13.12-1999, Surface and Volume Radioactivity Standards for Clearance. Pending DOE approval, this protocol could be used as the basis for releasing materials and equipment that exceed the distinguishable-from-background criterion and are below the specified threshold for unrestricted release. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Dillon, JT (reprint author), Lawrence Livermore Natl Lab, L-449, Livermore, CA 94551 USA. EM dillon10@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX The author would like to thank Kathleen Shingleton, Kenneth Kasper, and Megan Lobaugh for their invaluable comments on the manuscript. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 8 TC 1 Z9 1 U1 0 U2 3 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 JUN PY 2013 VL 104 IS 6 BP 623 EP 632 DI 10.1097/HP.0b013e31828d2e9b PG 10 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 138BS UT WOS:000318483900010 PM 23629068 ER PT J AU Packard, ED Mac Kenzie, C AF Packard, Eric D. Mac Kenzie, Carolyn TI APPLICATION OF THE NATIONAL IGNITION FACILITY DISTINGUISHABLE-FROM-BACKGROUND PROGRAM TO ACCELERATOR FACILITIES AT LAWRENCE LIVERMORE NATIONAL LABORATORY SO HEALTH PHYSICS LA English DT Article DE accelerators; detector; scintillation; instrumentation; neutron activation AB Lawrence Livermore National Laboratory must control potentially activated materials and equipment in accordance with U.S. Department of Energy (DOE) Order 458.1, Radiation Protection of the Public and the Environment, which requires DOE approval of the process used to release volumetrically contaminated personal property and establishes a dose constraint of 10 mu Sv y(-1) (1 mrem y(-1)) for clearance of such property. The National Ignition Facility at Lawrence Livermore National Laboratory developed a technical basis document and protocol for determining the radiological status of property that is potentially activated from exposure to neutron radiation produced via fusion of tritium and deuterium. The technical basis included assessment of the neutron energy, the type of materials potentially exposed and the likely activation products, and the sensitivity of radiation detectors used to survey the property. This paper evaluates the National Ignition Facility technical basis document for applicability to the release of property from Lawrence Livermore National Laboratory's various accelerator facilities considering the different types of particles accelerated, radiations produced, and resultant activation products. Extensive process knowledge regarding the accelerators' operations, accompanied by years of routine surveys, provides an excellent characterization of these facilities. Activation studies conducted at the Stanford Linear Accelerator and the High Energy Accelerator Research Organization in Japan corroborate that the long-lived radionuclides produced at accelerator facilities are of the same variety produced at the National Ignition Facility. Consequently, Lawrence Livermore National Laboratory concludes that the release protocol developed for the National Ignition Facility can be used appropriately at all its accelerator facilities. C1 [Packard, Eric D.; Mac Kenzie, Carolyn] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Packard, ED (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 6 TC 0 Z9 0 U1 0 U2 3 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 JUN PY 2013 VL 104 IS 6 BP 633 EP 640 DI 10.1097/HP.0b013e31828d2f90 PG 8 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 138BS UT WOS:000318483900011 PM 23629069 ER PT J AU Reyes, S Dunne, M Kramer, K Anklam, T Havstad, M Mazuecos, AL Miles, R Martinez-Frias, J Deri, B AF Reyes, Susana Dunne, Mike Kramer, Kevin Anklam, Tom Havstad, Mark Mazuecos, Antonio Lafuente Miles, Robin Martinez-Frias, Joel Deri, Bob TI LIFE: A SUSTAINABLE SOLUTION FOR DEVELOPING SAFE, CLEAN FUSION POWER SO HEALTH PHYSICS LA English DT Article DE energy transfer; fusion; power plant; nuclear; radiation protection ID ENERGY LIFE AB The National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory (LLNL) in California is currently in operation with the goal to demonstrate fusion energy gain for the first time in the laboratory-also referred to as "ignition." Based on these demonstration experiments, the Laser Inertial Fusion Energy (LIFE) power plant is being designed at LLNL in partnership with other institutions with the goal to deliver baseload electricity from safe, secure, sustainable fusion power in a time scale that is consistent with the energy market needs. For this purpose, the LIFE design takes advantage of recent advances in diode-pumped, solid-state laser technology and adopts the paradigm of Line Replaceable Units used on the NIF to provide high levels of availability and maintainability and mitigate the need for advanced materials development. The LIFE market entry plant will demonstrate the feasibility of a closed fusion fuel cycle, including tritium breeding, extraction, processing, refueling, accountability, and safety, in a steady-state power-producing device. While many fusion plant designs require large quantities of tritium for startup and operations, a range of design choices made for the LIFE fuel cycle act to reduce the in-process tritium inventory. This paper presents an overview of the delivery plan and the preconceptual design of the LIFE facility with emphasis on the key safety design principles being adopted. In order to illustrate the favorable safety characteristics of the LIFE design, some initial accident analysis results are presented that indicate potential for a more attractive licensing regime than that of current fission reactors. C1 [Reyes, Susana; Dunne, Mike; Kramer, Kevin; Anklam, Tom; Havstad, Mark; Mazuecos, Antonio Lafuente; Miles, Robin; Martinez-Frias, Joel; Deri, Bob] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Reyes, S (reprint author), Lawrence Livermore Natl Lab, L-592,POB 808, Livermore, CA 94551 USA. EM reyes20@llnl.gov RI Dunne, Mike/B-4318-2014 OI Dunne, Mike/0000-0001-8740-3870 FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. NR 15 TC 1 Z9 1 U1 4 U2 58 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 JUN PY 2013 VL 104 IS 6 BP 641 EP 647 DI 10.1097/HP.0b013e31828d2fab PG 7 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 138BS UT WOS:000318483900012 PM 23629070 ER PT J AU Escarra, MD Le, LT Urban, NM Oppenheimer, M Gmachl, CF AF Escarra, Matthew D. Le, Loan T. Urban, Nathan M. Oppenheimer, Michael Gmachl, Claire F. TI Quantum Cascade Laser-Based Sensing for Carbon Sequestration Leakage Monitoring SO IEEE SENSORS JOURNAL LA English DT Article DE Environmental economics; laser applications; quantum cascade lasers; trace gas sensing ID DIOXIDE SEQUESTRATION; ATMOSPHERIC CO2; STABLE-ISOTOPE; STORAGE; ECONOMICS; CAPTURE AB Carbon capture and sequestration (CCS) may play a key role in our energy future. However, the widespread sequestration of CO2 into storage reservoirs is inhibited by safety and leakage concerns. Effective leakage monitoring at the surface is recently made possible by the development of quantum cascade (QC) laser-based sensors, which are capable of tracking fluxes in CO2 isotope concentrations. In this paper, we initially discuss the status of this technology, including recent results from distributed feedback QC lasers for use in sensing CO2 isotopic ratios. These lasers show single-mode emission at 4.32 mu m, overlapping strong absorption resonances of (CO2)-C-12, (CO2)-C-13, and (OCO)-O-18. We then consider the value of such devices for quantifying CO2 leakage using a climate-economy integrated-assessment model that is modified to include CCS. The sensitivity of model outcomes to reservoir leakage is studied, showing that an average reservoir storage half-life on the order of 1000 years or longer can limit atmospheric temperature increases to 2 degrees C or less over the next 150 years for economically optimal emissions scenarios. The present day economic value of CCS is established versus reservoir half-life, showing a significant return on investment (similar to 2 trillion U.S.$, or similar to 4% of gross world product) when the average reservoir half-life is 250 years, with a sharp drop in the value of CCS technology for half-life values below 250 years. Quantifying CO2 leakage rates via QC laser-based sensing will contribute greatly toward accurately assessing CCS technology and its efficacy as part of CO2 limitation strategies. C1 [Escarra, Matthew D.; Le, Loan T.; Gmachl, Claire F.] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. [Urban, Nathan M.] Los Alamos Natl Lab, Energy Secur Ctr, Los Alamos, NM 87545 USA. [Oppenheimer, Michael] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Oppenheimer, Michael] Princeton Univ, Woodrow Wilson Sch Publ & Int Affairs, Princeton, NJ 08544 USA. RP Escarra, MD (reprint author), CALTECH, Dept Appl Phys & Mat Sci, Pasadena, CA 91125 USA. EM escarra@caltech.edu; lle@princeton.edu; nurban@lanl.gov; omichael@princeton.edu; cgmachl@princeton.edu FU W. C. Ford, Jr. '79; L. V. Ford '82 Graduate Fellowship Fund; MIRTHE under Grant NSF-ERC [EEC-0540832] FX This work was supported in part by the W. C. Ford, Jr. '79 and L. V. Ford '82 Graduate Fellowship Fund, administered through the PEI-STEP program at Princeton University, and MIRTHE under Grant NSF-ERC # EEC-0540832. The associate editor coordinating the review of this paper and approving it for publication was Dr. Anna G. Mignani. NR 49 TC 0 Z9 0 U1 1 U2 39 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-437X J9 IEEE SENS J JI IEEE Sens. J. PD JUN PY 2013 VL 13 IS 6 BP 2348 EP 2356 DI 10.1109/JSEN.2013.2253731 PG 9 WC Engineering, Electrical & Electronic; Instruments & Instrumentation; Physics, Applied SC Engineering; Instruments & Instrumentation; Physics GA 141EB UT WOS:000318707300022 ER PT J AU Wang, H Porter, WD Bottner, H Konig, J Chen, LD Bai, SQ Tritt, TM Mayolet, A Senawiratne, J Smith, C Harris, F Gilbert, P Sharp, J Lo, J Kleinke, H Kiss, L AF Wang, Hsin Porter, Wallace D. Boettner, Harald Koenig, Jan Chen, Lidong Bai, Shengqiang Tritt, Terry M. Mayolet, Alex Senawiratne, Jayantha Smith, Charlene Harris, Fred Gilbert, Patricia Sharp, Jeff Lo, Jason Kleinke, Holger Kiss, Laszlo TI Transport Properties of Bulk Thermoelectrics: An International Round-Robin Study, Part II: Thermal Diffusivity, Specific Heat, and Thermal Conductivity SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE Thermoelectric; thermal conductivity; thermal diffusivity; specific heat; power factor; figure of merit ID FIGURE-OF-MERIT; FLASH METHOD; TEMPERATURE; ALLOYS; PERFORMANCE; DEVICES AB For bulk thermoelectrics, improvement of the figure of merit ZT to above 2 from the current values of 1.0 to 1.5 would enhance their competitiveness with alternative technologies. In recent years, the most significant improvements in ZT have mainly been due to successful reduction of thermal conductivity. However, thermal conductivity is difficult to measure directly at high temperatures. Combined measurements of thermal diffusivity, specific heat, and mass density are a widely used alternative to direct measurement of thermal conductivity. In this work, thermal conductivity is shown to be the factor in the calculation of ZT with the greatest measurement uncertainty. The International Energy Agency (IEA) group, under the implementing agreement for Advanced Materials for Transportation (AMT), has conducted two international round-robins since 2009. This paper, part II of our report on the international round-robin testing of transport properties of bulk bismuth telluride, focuses on thermal diffusivity, specific heat, and thermal conductivity measurements. C1 [Wang, Hsin; Porter, Wallace D.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Boettner, Harald; Koenig, Jan] Fraunhofer Inst Phys Measurement Tech, Freiburg, Germany. [Chen, Lidong; Bai, Shengqiang] Chinese Acad Sci, Shanghai Inst Ceram, Shanghai 200050, Peoples R China. [Tritt, Terry M.] Clemson Univ, Clemson, SC USA. [Mayolet, Alex; Senawiratne, Jayantha; Smith, Charlene] Corning Inc, Corning, NY 14831 USA. [Harris, Fred] ZT Plus Inc, Azusa, CA USA. [Gilbert, Patricia; Sharp, Jeff] Marlow Ind, Dallas, TX USA. [Lo, Jason] Canada Ctr Mineral & Energy Technol, Hamilton, ON, Canada. [Kleinke, Holger] Univ Waterloo, Waterloo, ON N2L 3G1, Canada. [Kiss, Laszlo] Univ Quebec Chicoutimi, Chicoutimi, PQ, Canada. RP Wang, H (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM wangh2@ornl.gov RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU International Energy Agency under the Implementing Agreement for Advanced Materials for Transportation; Oak Ridge National Laboratory [DE-AC05000OR22725] FX The authors would like to thank the International Energy Agency under the Implementing Agreement for Advanced Materials for Transportation for supporting this work and the assistant secretary for Energy Efficiency and Renewable Energy of the Department of Energy and the Propulsion Materials Program under the Vehicle Technologies Program. We would like to acknowledge support from all participating institutions and Oak Ridge National Laboratory managed by UT-Battelle LLC under contract DE-AC05000OR22725. NR 44 TC 47 Z9 47 U1 3 U2 74 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD JUN PY 2013 VL 42 IS 6 BP 1073 EP 1084 DI 10.1007/s11664-013-2516-0 PG 12 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 139GF UT WOS:000318569300020 ER PT J AU Mencuccini, M Holtta, T Sevanto, S Nikinmaa, E AF Mencuccini, Maurizio Holtta, Teemu Sevanto, Sanna Nikinmaa, Eero TI Concurrent measurements of change in the bark and xylem diameters of trees reveal a phloem-generated turgor signal SO NEW PHYTOLOGIST LA English DT Article DE bark diameter; canopy photosynthesis; phloem transport; phloem water relations; xylem diameter; xylemphloem coupling ID NET ECOSYSTEM EXCHANGE; STEM DIAMETER; SCOTS PINE; HYDRAULIC CONDUCTANCE; SOIL RESPIRATION; SUGAR-TRANSPORT; WATER TRANSPORT; DIURNAL CHANGES; TIME LAGS; PHOTOSYNTHESIS AB Currently, phloem transport in plants under field conditions is not well understood. This is largely the result of the lack of techniques suitable for the measurement of the physiological properties of phloem. We present a model that interprets the changes in xylem diameter and live bark thickness and separates the components responsible for such changes. We test the predictions from this model on data from three mature Scots pine trees in Finland. The model separates the live bark thickness variations caused by bark water capacitance from a residual signal interpreted to indicate the turgor changes in the bark. The predictions from the model are consistent with processes related to phloem transport. At the diurnal scale, this signal is related to patterns of photosynthetic activity and phloem loading. At the seasonal scale, bark turgor showed rapid changes during two droughts and after two rainfall events, consistent with physiological predictions. Daily cumulative totals of this turgor term were related to daily cumulative totals of canopy photosynthesis. Finally, the model parameter representing radial hydraulic conductance between phloem and xylem showed a temperature dependence consistent with the temperature-driven changes in water viscosity. We propose that this model has potential for the continuous field monitoring of tree phloem function. C1 [Mencuccini, Maurizio] Univ Edinburgh, Sch Geosci, Edinburgh EH9 3JN, Midlothian, Scotland. [Mencuccini, Maurizio] CREAF, ICREA, Barcelona 08193, Spain. [Holtta, Teemu; Nikinmaa, Eero] Univ Helsinki, Dept Forest Sci, FIN-00014 Helsinki, Finland. [Sevanto, Sanna] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mencuccini, M (reprint author), Univ Edinburgh, Sch Geosci, Crew Bldg,West Mains Rd, Edinburgh EH9 3JN, Midlothian, Scotland. EM m.mencuccini@ed.ac.uk RI Mencuccini, Maurizio/B-9052-2011; OI Mencuccini, Maurizio/0000-0003-0840-1477; Nikinmaa, Eero/0000-0003-4956-3069 FU Finnish Centre of Excellence (FCoE) in Physics, Chemistry, Biology and Meteorology of Atmospheric Composition and Climate Change; Integrated Carbon Observation System (ICOS); Instrumentation for Measuring European Carbon Cycle (IMECC); Academy of Finland [140781, 1132561]; Natural Environment Research Council (NERC) [NE/I011749/1] FX We thank Pasi Kolari for providing the eddy covariance data from the Hyytiala field site, and the Finnish Centre of Excellence (FCoE) in Physics, Chemistry, Biology and Meteorology of Atmospheric Composition and Climate Change, Integrated Carbon Observation System (ICOS), Instrumentation for Measuring European Carbon Cycle (IMECC) and Academy of Finland project #140781 for the support for the work. T. H. was funded by the Academy of Finland (#1132561). Part of the work was carried out thanks to the Natural Environment Research Council (NERC) grant NE/I011749/1 to M.M. NR 47 TC 28 Z9 29 U1 6 U2 64 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PD JUN PY 2013 VL 198 IS 4 BP 1143 EP 1154 DI 10.1111/nph.12224 PG 12 WC Plant Sciences SC Plant Sciences GA 140DL UT WOS:000318634400018 PM 23517018 ER PT J AU Zhang, RF Sheng, SH Veprek, S AF Zhang, R. F. Sheng, S. H. Veprek, S. TI Origin of different plastic resistance of transition metal nitrides and carbides: Stiffer yet softer SO SCRIPTA MATERIALIA LA English DT Article DE TiN; TiC; Plastic resistance; Ideal strength; Stacking fault energy ID SUPERHARD MATERIALS; ELASTIC-CONSTANTS; TITANIUM CARBIDE; CRYSTALS; MICROSCOPY; DIBORIDE AB Using density functional theory and the Peierls-Nabarro model, we calculated the shear strength and generalized stacking fault energy of TiN and TiC as prototypes of transition metal nitrides and carbides. In spite of its higher elastic moduli, TiN was found to have a lower plastic resistance as compared to TiC due to the higher shear strength and stacking fault energy of TiC. A mechanism based on the development of a deformed electronic structure is proposed to explain the origin of this difference in plastic resistance. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Zhang, R. F.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zhang, R. F.; Sheng, S. H.; Veprek, S.] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany. RP Zhang, RF (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM zrftum@gmail.com RI Veprek, Stan/C-1248-2008 OI Veprek, Stan/0000-0002-6016-3093 FU Los Alamos National Laboratory FX R.F.Z. would like to acknowledge support from a Los Alamos National Laboratory Director's Postdoctoral Fellowship. We would also like to thank Prof. G. Kresse for valuable advice for the application of VASP, Prof. A.S. Argon for valuable guidance and support, and Dr. M.G.J. Veprek-Heijman and Dr. Zhijun Lin for critical reading of the manuscript. NR 33 TC 10 Z9 10 U1 0 U2 50 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 JUN PY 2013 VL 68 IS 12 BP 913 EP 916 DI 10.1016/j.scriptamat.2013.01.040 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 139LR UT WOS:000318584700001 ER PT J AU Zernov, V Fradkin, L Gautesen, A Darmon, M Calmon, P AF Zernov, V. Fradkin, L. Gautesen, A. Darmon, M. Calmon, P. TI Wedge diffraction of a critically incident Gaussian beam SO WAVE MOTION LA English DT Article DE Isotropic solid; Head wave; Lateral wave; Goodier-Bishop wave; Wedge diffraction; GTD ID FREE ELASTIC WEDGE; CREEPING WAVES; SCATTERING; RAYS; BULK AB A large embedded or surface-breaking crack in an otherwise isotropic and homogeneous solid is modeled as an infinite planar wedge with zero-traction faces. A Gaussian beam of transverse elastic waves is assumed to be incident on one of these faces with its axis at a near critical angle. It is assumed that the beam hits the face away from the crack corner. The rays impinging on the face at supercritical angles give rise to reflected transverse waves only, while those impinging on it at subcritical angles generate the reflected field, which contains both transverse and longitudinal modes. It is shown that when the beam hits relatively close to the wedge corner the incident field near the irradiated face can be approximated as a near grazing longitudinal wave of the Goodier-Bishop type. A recipe is offered for utilizing GTD (Geometrical Theory of Diffraction) to simulate the resulting transverse and longitudinal waves. The two-dimensional version of the above configuration is of interest in modeling ultrasonic Non-Destructive Testing and Evaluation. (C) 2013 Elsevier B.V. All rights reserved. C1 [Zernov, V.; Fradkin, L.] Sound Math Ltd, Cambridge CB4 2AS, England. [Gautesen, A.] Iowa State Univ, Dept Math, Ames, IA 50011 USA. [Gautesen, A.] Ames Lab, Ames, IA 50011 USA. [Darmon, M.; Calmon, P.] CEA, LIST, Dept Imaging & Simulat Nondestruct Testing, F-91191 Gif Sur Yvette, France. [Zernov, V.] Smartodds Ltd, Highgate Studios, Unit 531, London NW5 1TL, England. RP Fradkin, L (reprint author), Sound Math Ltd, Cambridge CB4 2AS, England. EM l.fradkin@soundmathematics.com NR 26 TC 0 Z9 0 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-2125 J9 WAVE MOTION JI Wave Motion PD JUN PY 2013 VL 50 IS 4 BP 708 EP 722 DI 10.1016/j.wavemoti.2013.01.004 PG 15 WC Acoustics; Mechanics; Physics, Multidisciplinary SC Acoustics; Mechanics; Physics GA 139MQ UT WOS:000318587200004 ER PT J AU Mitri, FG AF Mitri, F. G. TI Three-dimensional vectorial analysis of an electromagnetic non-diffracting high-order Bessel trigonometric beam (vol 49, pg 561, 2012) SO WAVE MOTION LA English DT Correction DE Bessel trigonometric beam; Non-diffracting beam; Vector analysis AB The theoretical magnitude cross-sectional profiles for the electric and magnetic field components of a high-order Bessel trigonometric beam presented in Figs. 1-4 in Mitri (2012) [F.G. Mitri, Three-dimensional vectorial analysis of an electromagnetic non-diffracting high-order Bessel trigonometric beam, Wave Motion 49 (2012) 561-568] are amended. Corrected computational plots that should replace the earlier ones are provided in this erratum. (C) 2013 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, MPA 11, Acoust & Sensors Technol Team, Los Alamos, NM 87545 USA. RP Mitri, FG (reprint author), Los Alamos Natl Lab, MPA 11, Acoust & Sensors Technol Team, MS D429, Los Alamos, NM 87545 USA. EM mitri@lanl.gov NR 1 TC 0 Z9 0 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-2125 J9 WAVE MOTION JI Wave Motion PD JUN PY 2013 VL 50 IS 4 BP 885 EP 889 DI 10.1016/j.wavemoti.2013.02.003 PG 5 WC Acoustics; Mechanics; Physics, Multidisciplinary SC Acoustics; Mechanics; Physics GA 139MQ UT WOS:000318587200016 ER PT J AU Sherman, MH Hult, EL AF Sherman, Max H. Hult, Erin L. TI Impacts of contaminant storage on indoor air quality: Model development SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Buffering capacity; Formaldehyde; Moisture ID EMISSION RATES; FORMALDEHYDE; VENTILATION; HOMES AB A first-order, lumped capacitance model is used to describe the buffering of airborne chemical species by building materials and furnishings in the indoor environment. The model is applied to describe the interaction between formaldehyde in building materials and the concentration of the species in the indoor air. Storage buffering can decrease the effect of ventilation on the indoor concentration, compared to the inverse dependence of indoor concentration on the air exchange rate that is consistent with a constant emission rate source. If the exposure time of an occupant is long relative to the timescale of depletion of the compound from the storage medium, however, the total exposure will depend inversely on the air exchange rate. This lumped capacitance model is also applied to moisture buffering in the indoor environment, which occurs over much shorter depletion timescales of the order of days. This model provides a framework to interpret the impact of storage buffering on time-varying concentrations of chemical species and resulting occupant exposure. Pseudo-steady-state behavior is validated using field measurements. Model behavior over longer times is consistent with formaldehyde and moisture concentration measurements in previous studies. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Sherman, Max H.; Hult, Erin L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hult, EL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd MS 90R3083, Berkeley, CA 94720 USA. EM mhsherman@lbl.gov; elhult@lbl.gov FU Assistant Secretary for Energy Efficiency and Renewable Energy; U.S. Department of Energy [DE-AC02-05CH11231]; California Energy Commission FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This report was also supported in part by work sponsored by the California Energy Commission. The authors thank Jennifer Logue and an anonymous reviewer for their contributions to this work. NR 26 TC 3 Z9 4 U1 0 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD JUN PY 2013 VL 72 BP 41 EP 49 DI 10.1016/j.atmosenv.2013.02.027 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 135BW UT WOS:000318262000006 ER PT J AU Watrud, LS Reichman, JR Bollman, MA Smith, BM Lee, EH Jastrow, JD Casler, MD Collins, HP Fransen, S Mitchell, RB Owens, VN Bean, B Rooney, WL Tyler, DD King, GA AF Watrud, Lidia S. Reichman, Jay R. Bollman, Michael A. Smith, Bonnie M. Lee, E. Henry Jastrow, Julie D. Casler, Michael D. Collins, Harold P. Fransen, Steven Mitchell, Robert B. Owens, Vance N. Bean, Brent Rooney, William L. Tyler, Donald D. King, George A. TI Chemistry and Microbial Functional Diversity Differences in Biofuel Crop and Grassland Soils in Multiple Geographies SO BIOENERGY RESEARCH LA English DT Article DE Switchgrass; Sorghum; GeoChip; Functional gene array; Soil ecosystem services ID MICROARRAY-BASED ANALYSIS; RIBOSOMAL-RNA ANALYSIS; SEA OIL PLUME; BACTERIAL COMMUNITIES; FLUORESCEIN DIACETATE; ECOSYSTEM PROCESSES; SORGHUM-HALEPENSE; ANALYSIS REVEALS; PLANT; RHIZOSPHERE AB We obtained soil samples from geographically diverse switchgrass (Panicum virgatum L.) and sorghum (Sorghum bicolor L.) crop sites and from nearby reference grasslands and compared their edaphic properties, microbial gene diversity and abundance, and active microbial biomass content. We hypothesized that soils under switchgrass, a perennial, would be more similar to reference grassland soils than sorghum, an annual crop. Sorghum crop soils had significantly higher NO3 (-) -N, NH4 (+) -N, SO4 (2-) -S, and Cu levels than grassland soils. In contrast, few significant differences in soil chemistry were observed between switchgrass crop and grassland soils. Active bacterial biomass was significantly lower in sorghum soils than switchgrass soils. Using GeoChip 4.0 functional gene arrays, we observed that microbial gene diversity was significantly lower in sorghum soils than grassland soils. Gene diversity at sorghum locations was negatively correlated with NO3 (-) -N, NH4 (+) -N, and SO4 (2-) -S in C and N cycling microbial gene categories. Microbial gene diversity at switchgrass sites varied among geographic locations, but crop and grassland sites tended to be similar. Microbial gene abundance did not differ between sorghum crop and grassland soils, but was generally lower in switchgrass crop soils compared to grassland soils. Our results suggest that switchgrass has fewer adverse impacts on microbial soil ecosystem services than cultivation of an annual biofuel crop such as sorghum. Multi-year, multi-disciplinary regional studies comparing these and additional annual and perennial biofuel crop and grassland soils are recommended to help define sustainable crop production and soil ecosystem service practices. C1 [Watrud, Lidia S.; Reichman, Jay R.; Bollman, Michael A.; Smith, Bonnie M.; Lee, E. Henry] US EPA, Corvallis, OR 97333 USA. [Jastrow, Julie D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Casler, Michael D.] ARS, USDA, US Dairy Forage Res Ctr, Madison, WI 53706 USA. [Collins, Harold P.] USDA ARS, Vegetable & Forage Crops Res Unit, Prosser, WA 99350 USA. [Fransen, Steven] Washington State Univ, Irrigated Agr Res & Extens Ctr, Prosser, WA 99350 USA. [Mitchell, Robert B.] Univ Nebraska, USDA ARS, Lincoln, NE 68583 USA. [Owens, Vance N.] S Dakota State Univ, Dept Plant Sci, Brookings, SD 57007 USA. [Bean, Brent] Texas A&M Univ, Texas Agrilife Res & Extens Ctr, Amarillo, TX 79106 USA. [Rooney, William L.] Texas A&M Univ, Dept Soil & Crop Sci, College Stn, TX 77843 USA. [Tyler, Donald D.] Univ Tennessee, West TN Res & Educ Ctr, Jackson, TN 38301 USA. [King, George A.] Dynamac Corp, Corvallis, OR 97333 USA. RP Watrud, LS (reprint author), US EPA, 200 SW 35th St, Corvallis, OR 97333 USA. EM watrud.lidia@epa.gov FU United States Environmental Protection Agency (USEPA) Office of Research and Development National Health and Environmental Effects Research Laboratory; EPA [EP-D-06-013, EP-D-11-027] FX The authors thank their respective staff who participated in providing soil samples, photographs, GPS coordinates, and other background information for each of the crop and non-crop sampling locations. This research was funded in part by a United States Environmental Protection Agency (USEPA) Office of Research and Development National Health and Environmental Effects Research Laboratory intramural competitive award to LSW and RJF and by EPA contracts to Dynamac Corporation (EP-D-06-013 and EP-D-11-027). Mention of trade names or commercial products does not imply endorsement for use. The views of the authors do not necessarily reflect those of the Agency. This manuscript has undergone administrative and technical reviews to receive Agency approval for submission for publication in a peer-reviewed scientific journal. NR 56 TC 2 Z9 2 U1 4 U2 55 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 J9 BIOENERG RES JI BioEnergy Res. PD JUN PY 2013 VL 6 IS 2 BP 601 EP 619 DI 10.1007/s12155-012-9279-y PG 19 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA 138GT UT WOS:000318497700017 ER PT J AU Hardin, CF Fu, CX Hisano, H Xiao, XR Shen, H Stewart, CN Parrott, W Dixon, RA Wang, ZY AF Hardin, C. Frank Fu, Chunxiang Hisano, Hiroshi Xiao, Xirong Shen, Hui Stewart, C. Neal, Jr. Parrott, Wayne Dixon, Richard A. Wang, Zeng-Yu TI Standardization of Switchgrass Sample Collection for Cell Wall and Biomass Trait Analysis SO BIOENERGY RESEARCH LA English DT Article DE Switchgrass; Panicum virgatum; Sample collection; Developmental stage; Cellulosic biofuels ID FERMENTABLE SUGAR YIELDS; PANICUM-VIRGATUM L.; BIOFUEL PRODUCTION; LIGNIN BIOSYNTHESIS; FORAGE; ETHANOL; LEADS; CROP AB As a native, low-input crop with high biomass production, switchgrass (Panicum virgatum) has become a favorable feedstock for the production of cellulosic biofuels in the United States. Many efforts are being made to improve the production of cellulosic biofuels from switchgrass. Protocols regarding analysis of switchgrass biomass have been established; however, the developmental stage of the materials being analyzed has varied depending on researchers' discretion, and no standardized harvesting procedure has been defined. Developmental stages have a large impact on the results of biochemical analyses. We propose a standardized procedure for switchgrass sample collection for cell wall and biomass analyses by describing various developmental stages of switchgrass, defining the R1 stage as the stage at which tillers should be collected, and providing a detailed description of how and what material should be analyzed. Such a standardized procedure will help to maintain consistency in switchgrass evaluation methods, enable comparisons of data obtained from different approaches and studies, and facilitate efforts towards improving switchgrass as a bioenergy crop. C1 [Hardin, C. Frank; Fu, Chunxiang; Hisano, Hiroshi; Xiao, Xirong; Wang, Zeng-Yu] Samuel Roberts Noble Fdn Inc, Forage Improvement Div, Ardmore, OK 73401 USA. [Shen, Hui; Dixon, Richard A.] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK 73401 USA. [Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Tennessee, TN 37996 USA. [Parrott, Wayne] Univ Georgia, Dept Crop & Soil Sci, Athens, GA 30602 USA. [Hardin, C. Frank; Hisano, Hiroshi; Xiao, Xirong; Shen, Hui; Stewart, C. Neal, Jr.; Parrott, Wayne; Dixon, Richard A.; Wang, Zeng-Yu] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Wang, ZY (reprint author), Samuel Roberts Noble Fdn Inc, Forage Improvement Div, 2510 Sam Noble Pkwy, Ardmore, OK 73401 USA. EM zywang@noble.org FU BioEnergy Science Center; Samuel Roberts Noble Foundation, Inc.; Office of Biological and Environmental Research in the DOE Office of Science FX The authors thank Scott McNeill, Katie Brown, and Cuc Ly for their help with the figures. This work was supported by the BioEnergy Science Center and The Samuel Roberts Noble Foundation, Inc. The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 30 TC 18 Z9 18 U1 1 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 J9 BIOENERG RES JI BioEnergy Res. PD JUN PY 2013 VL 6 IS 2 BP 755 EP 762 DI 10.1007/s12155-012-9292-1 PG 8 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA 138GT UT WOS:000318497700031 ER PT J AU Meehan, PG Finnan, JM Mc Donnell, KP AF Meehan, P. G. Finnan, J. M. Mc Donnell, K. P. TI A Comparison of the Energy Yield at the End User for M. x giganteus Using Two Different Harvesting and Transport Systems SO BIOENERGY RESEARCH LA English DT Article DE Miscanthus; Biomass; Harvest energy balance; Transport ID ENVIRONMENTAL PERFORMANCE; SUPPLY CHAINS; MISCANTHUS; IRELAND; WILLOW; COSTS; CROPS AB A comparison between two different harvest systems for Miscanthus x giganteus crop (direct cut/chip and mow/bale) in terms of the net energy delivered to an end user, and the various energy costs and energy yields associated with each system was conducted. Only minor differences in terms of energy consumption were observed between the two harvest systems when all phases of the harvesting chain had been taken into account. Chip harvesting consumed 0.11 GJ t(-1) compared with 0.13 GJ t(-1) for bale harvesting. Chip transportation was considerably more expensive than bale transportation for a set distance of 50 km (0.18 and 0.11 GJ t(-1) for chip and bale, respectively). Despite this, higher overall net energy yield was achieved by direct cutting and chipping the material. This was due to the higher proportion of harvestable energy lost in the field as a result of the use of a mowing/baling system. The overall net energy delivered in terms of harvestable material by the direct cut and chip system was 12.45 GJ t(-1) compared with 11.78 GJ t(-1) by the mow and bale system, making direct cut the more efficient system even up to a transport distance of 400 km. A sensitivity analysis indicated that the choice of transport system becomes more important for energy efficiency as transport distance increases. C1 [Meehan, P. G.] Univ Coll Dublin, Sch Biosyst Engn, Dublin 4, Ireland. [Finnan, J. M.] TEAGASC, Crops Res Ctr, Oak Pk, Carlow, Ireland. [Mc Donnell, K. P.] Univ Coll Dublin, Sch Agr, Dublin 4, Ireland. RP Meehan, PG (reprint author), Univ Coll Dublin, Sch Biosyst Engn, Dublin 4, Ireland. EM peter.meehan@ucd.ie RI Finnan, John/D-1326-2016 FU Teagasc Walsh Fellowship Programme FX The authors wish to gratefully acknowledge the Teagasc Walsh Fellowship Programme for funding this study, and the technical assistance of Dr. Ger Devlin. NR 20 TC 5 Z9 5 U1 0 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 J9 BIOENERG RES JI BioEnergy Res. PD JUN PY 2013 VL 6 IS 2 BP 813 EP 821 DI 10.1007/s12155-013-9307-6 PG 9 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA 138GT UT WOS:000318497700037 ER PT J AU Williams, KH Wilkins, MJ N'Guessan, AL Arey, B Dodova, E Dohnalkova, A Holmes, D Lovley, DR Long, PE AF Williams, Kenneth H. Wilkins, Michael J. N'Guessan, A. Lucie Arey, Bruce Dodova, Elena Dohnalkova, Alice Holmes, Dawn Lovley, Derek R. Long, Philip E. TI Field evidence of selenium bioreduction in a uranium-contaminated aquifer SO ENVIRONMENTAL MICROBIOLOGY REPORTS LA English DT Article ID MEMBRANE BIOFILM REACTOR; SELENATE REDUCTION; COMMUNITY STRUCTURE; BIOREMEDIATION; RESPIRATION; GROUNDWATER; METABOLISM; DECHLOROMONAS; SEDIMENTS; STRAIN AB Removal of selenium from groundwater was documented during injection of acetate into a uranium-contaminated aquifer near Rifle, Colorado (USA). Bioreduction of aqueous selenium to its elemental form (Se0) concentrated it within mineralized biofilms affixed to tubing used to circulate acetate-amended groundwater. Scanning and transmission electron microscopy revealed close association between Se0 precipitates and cell surfaces, with Se0 aggregates having a diameter of 5060nm. Accumulation of Se0 within biofilms occurred over a three-week interval at a rate of c. 9mg Se0m2 tubing day1. Removal was inferred to result from the activity of a mixed microbial community within the biofilms capable of coupling acetate oxidation to the reduction of oxygen, nitrate and selenate. Phylogenetic analysis of the biofilm revealed a community dominated by strains of Dechloromonas sp. and Thauera sp., with isolates exhibiting genetic similarity to the latter known to reduce selenate to Se0. Enrichment cultures of selenate-respiring microorganisms were readily established using Rifle site groundwater and acetate, with cultures dominated by strains closely related to D.aromatica (9699% similarity). Predominance of Dechloromonas sp. in recovered biofilms and enrichments suggests this microorganism may play a role in the removal of selenium oxyanions present in Se-impacted groundwaters and sediments. C1 [Williams, Kenneth H.; Long, Philip E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wilkins, Michael J.; N'Guessan, A. Lucie; Arey, Bruce; Dohnalkova, Alice] Pacific NW Natl Lab, Richland, WA 99352 USA. [Dodova, Elena; Holmes, Dawn; Lovley, Derek R.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. RP Williams, KH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM khwilliams@lbl.gov RI Wilkins, Michael/A-9358-2013; Williams, Kenneth/O-5181-2014; Long, Philip/F-5728-2013 OI Williams, Kenneth/0000-0002-3568-1155; Long, Philip/0000-0003-4152-5682 FU Integrated Field Research Challenge Site (IFRC) at Rifle, Colorado; US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231, DE-AC06-76RL01830] FX This material is based upon work supported through the Integrated Field Research Challenge Site (IFRC) at Rifle, Colorado. The US Department of Energy, Office of Science, Office of Biological and Environmental Research funded the work under contracts DE-AC02-05CH11231 (Lawrence Berkeley National Laboratory; operated by the University of California) and DE-AC06-76RL01830 (Pacific Northwest National Laboratory). We thank Jennifer Druhan (UCB), Evan Arntzen and Tom Resch (PNNL), and Richard Dayvault and David Traub (S. M. Stoller) for their assistance. NR 40 TC 16 Z9 16 U1 2 U2 60 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 JUN PY 2013 VL 5 IS 3 SI SI BP 444 EP 452 DI 10.1111/1758-2229.12032 PG 9 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 133BD UT WOS:000318111500012 PM 23905166 ER PT J AU Stucker, VK Williams, KH Robbins, MJ Ranville, JF AF Stucker, Valerie K. Williams, Kenneth H. Robbins, Mark J. Ranville, James F. TI Arsenic geochemistry in a biostimulated aquifer: An aqueous speciation study SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE Iron reduction; Sulfate reduction; Bioremediation; Ion chromatographyinductively coupled plasma mass spectrometry; Thioarsenate ID SULFIDIC WATERS; CONTAMINATED SOILS; URANIUM; GROUNDWATER; BIOREMEDIATION; MODEL; THIOARSENATES; PRESERVATION; SUSPENSION; BACTERIA AB Stimulating microbial growth through the use of acetate injection wells at the former uranium mill site in Rifle, Colorado, USA, has been shown to decrease dissolved uranium (VI) concentrations through bacterial reduction to immobile uranium (IV). Bioreduction also changed the redox chemistry of site groundwater, altering the mobility of several other redox-sensitive elements present in the subsurface, including iron, sulfur, and arsenic. Following acetate amendment at the site, elevated concentrations of arsenic in the groundwater were observed. Ion chromatography-inductively coupled plasmamass spectrometry was used to determine the aqueous arsenic speciation. Upgradient samples, unexposed to acetate, showed low levels of arsenic (approximate to 1M), with greater than 90% as arsenate (As[V]) and a small amount of arsenite (As[III]). Downgradient acetate-stimulated water samples had much higher levels of arsenic (up to 8M), and 4 additional thioarsenic species were present under sulfate-reducing conditions. These thioarsenic species demonstrate a strong correlation between arsenic release and sulfide concentrations in groundwater, and their formation may explain the elevated total arsenic concentrations. An alternative remediation approach, enhanced flushing of uranium, was accomplished by addition of bicarbonate and did not result in highly elevated arsenic concentrations. Environ Toxicol Chem 2013;32:12161223. (c) 2013 SETAC C1 [Stucker, Valerie K.; Ranville, James F.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. [Williams, Kenneth H.; Robbins, Mark J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ranville, JF (reprint author), Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. EM jranvill@mines.edu RI Williams, Kenneth/O-5181-2014; OI Williams, Kenneth/0000-0002-3568-1155; ranville, james/0000-0002-4347-4885 FU US Department of Energy [DE-FG01-08ER64585, DE-SC0006796]; US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX We thank D. Wallschlager, Trent University, for providing tetrathioarsenate for identification purposes, and A. Bednar, US Army Engineer Research and Development Center, for helpful discussions on analysis and geochemistry. Water chemistry analysis was provided by the Lawrence Berkeley National Laboratory inductively coupled plasma-mass spectrometry laboratory. Funding for the present study was provided by the US Department of Energy's Subsurface Biogeochemical Research program under grants DE-FG01-08ER64585 and DE-SC0006796. Contributions by the staff of the Lawrence Berkeley National Laboratory were supported through the Integrated Field Research Challenge Site at Rifle, Colorado, with funding provided by the US Department of Energy, Office of Science, Office of Biological and Environmental Research under contract DE-AC02-05CH11231 (Lawrence Berkeley National Laboratory operated by the University of California, Berkeley, CA, USA). NR 41 TC 9 Z9 10 U1 2 U2 72 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0730-7268 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD JUN PY 2013 VL 32 IS 6 BP 1216 EP 1223 DI 10.1002/etc.2155 PG 8 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 134RX UT WOS:000318233100005 PM 23401165 ER PT J AU Cusick, KD Wetzel, RK Minkin, SC Dodani, SC Wilhelm, SW Sayler, GS AF Cusick, Kathleen D. Wetzel, Randall K. Minkin, Steven C., Jr. Dodani, Sheel C. Wilhelm, Steven W. Sayler, Gary S. TI Paralytic shellfish toxins inhibit copper uptake in Chlamydomonas reinhardtii SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE Algal toxin; Copper transporter; Ecotoxicology; Saxitoxin ID SACCHAROMYCES-CEREVISIAE; ELECTRON-TRANSPORT; SOLUBLE SAXITOXIN; BINDING-PROTEIN; MARINE DIATOMS; IRON TRANSPORT; PLASTOCYANIN; GROWTH; AVAILABILITY; EXPRESSION AB Paralytic shellfish toxins are secondary metabolites produced by several species of dinoflagellates and cyanobacteria. Known targets of these toxins, which typically occur at detrimental concentrations during harmful algal blooms, include voltage-gated ion channels in humans and other mammals. However, the effects of the toxins on the co-occurring phytoplankton community remain unknown. The present study examined the molecular mechanisms of the model photosynthetic alga Chlamydomonas reinhardtii in response to saxitoxin exposure as a means of gaining insight into the phytoplankton community response to a bloom. Previous work with yeast indicated that saxitoxin inhibited copper uptake, so experiments were designed to examine whether saxitoxin exhibited a similar mode of action in algae. Expression profiling following exposure to saxitoxin or a copper chelator produced similar profiles in copper homeostasis genes, notably induction of the cytochrome c6 (CYC6) and copper transporter (COPT1, CTR1) genes. Cytochrome c6 is used as an alternative to plastocyanin under conditions of copper deficiency, and immunofluorescence data showed this protein to be present in a significantly greater proportion of saxitoxin-exposed cells compared to controls. Live-cell imaging with a copper-sensor probe for intracellular labile Cu(I) confirmed that saxitoxin blocked copper uptake. Extrapolations of these data to phytoplankton metabolic processes along with the copper transporter as a molecular target of saxitoxin based on existing structural models are discussed. Environ Toxicol Chem 2013;32:13881395. (c) 2013 SETAC C1 [Cusick, Kathleen D.; Minkin, Steven C., Jr.; Wilhelm, Steven W.; Sayler, Gary S.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37932 USA. [Wetzel, Randall K.] Cell Signaling Technol, Danvers, MA USA. [Dodani, Sheel C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Wilhelm, Steven W.; Sayler, Gary S.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Sayler, Gary S.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN USA. [Sayler, Gary S.] Oak Ridge Natl Lab, UT ORNL Joint Inst Biol Sci, Oak Ridge, TN USA. RP Cusick, KD (reprint author), Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37932 USA. EM kdaumer@utk.edu RI Wilhelm, Steven/B-8963-2008 OI Wilhelm, Steven/0000-0001-6283-8077 FU National Aeronautics and Space Administration; Novartis FX We thank J. Burgess and E. Young (University of Wisconsin Milwaukee) for supplying the Chlamydomonas reinhardtii culture and G. Boyer (State University of New York-Syracuse) for concentrating the saxitoxin. K. D. Cusick was supported by a National Aeronautics and Space Administration graduate student research fellowship. We thank C. J. Chang for providing the Coppersensor-1 and the copper chelator tris((ethylthio) ethyl) amine. S. C. Dodani thanks Novartis for a University of California-Berkeley graduate fellowship. NR 48 TC 0 Z9 0 U1 2 U2 36 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0730-7268 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD JUN PY 2013 VL 32 IS 6 BP 1388 EP 1395 DI 10.1002/etc.2187 PG 8 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 134RX UT WOS:000318233100028 PM 23423950 ER PT J AU Xu, XF Thornton, PE Post, WM AF Xu, Xiaofeng Thornton, Peter E. Post, Wilfred M. TI A global analysis of soil microbial biomass carbon, nitrogen and phosphorus in terrestrial ecosystems SO GLOBAL ECOLOGY AND BIOGEOGRAPHY LA English DT Article DE Carbon; nitrogen; phosphorus; soil microbial biomass; stoichiometry; terrestrial ecosystems ID N-P STOICHIOMETRY; VERTICAL-DISTRIBUTION; ROOT DISTRIBUTIONS; CYCLE FEEDBACKS; ORGANIC-CARBON; BOREAL FORESTS; CLIMATE-CHANGE; FRESH-WATER; MICROORGANISMS; RESPIRATION AB Aim To estimate the concentrations, stoichiometry and storage of soil microbial biomass carbon (C), nitrogen (N) and phosphorus (P) at biome and global scales. Location Global. Method We collected 3422 data points to summarize the concentrations and stoichiometry of C, N and P in soils, soil microbial biomass at global and biome levels, and to estimate the global storage of soil microbial biomass C and N. Results The results show that concentrations of C, N and P in soils and soil microbial biomass vary substantially across biomes; the fractions of soil elements C, N and P in soil microbial biomass are 1.2, 2.6 and 8.0%, respectively. The best estimates of C:N:P stoichiometry for soil elements and soil microbial biomass are 287:17:1 and 42:6:1, respectively, at global scale, and they vary in a wide range among biomes. The vertical distribution of soil microbial biomass follows the distribution of roots up to 1m depth. Main conclusions The global storage of soil microbial biomass C and N were estimated to be 16.7 Pg C and 2.6 Pg N in the 030cm soil profiles, and 23.2 Pg C and 3.7 Pg N in the 0100cm soil profiles. We did not estimate P in soil microbial biomass due to insufficient data and insignificant correlation between soil total P and climate variables used for spatial extrapolation. The spatial patterns of soil microbial biomass C and N were consistent with those of soil organic C and total N, i.e. high density in northern high latitude, and low density in low latitudes and the Southern Hemisphere. C1 Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Xu, Xiaofeng] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Xu, XF (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethal Valley Rd, Oak Ridge, TN 37831 USA. EM xux4@ornl.gov RI Thornton, Peter/B-9145-2012; Xu, Xiaofeng/B-2391-2008 OI Thornton, Peter/0000-0002-4759-5158; Xu, Xiaofeng/0000-0002-6553-6514 FU US Department of Energy, Office of Science, Biological and Environmental Research (BER) programme; US Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the US Department of Energy, Office of Science, Biological and Environmental Research (BER) programme and performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. The authors are grateful for Richard Norby, David Currie, Josep Penuelas and Ivan Janssens and one anonymous referee for their critical comments which greatly improved this manuscript. We thank Yaxing Wei and Shishi Liu at ORNL for processing the Harmonized World Soil Database. NR 65 TC 82 Z9 95 U1 36 U2 321 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1466-822X J9 GLOBAL ECOL BIOGEOGR JI Glob. Ecol. Biogeogr. PD JUN PY 2013 VL 22 IS 6 BP 737 EP 749 DI 10.1111/geb.12029 PG 13 WC Ecology; Geography, Physical SC Environmental Sciences & Ecology; Physical Geography GA 138MO UT WOS:000318512900010 ER PT J AU Yuen, E Jovicich, SS Preston, BL AF Yuen, Emma Jovicich, Samantha Stone Preston, Benjamin L. TI Climate change vulnerability assessments as catalysts for social learning: four case studies in south-eastern Australia SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE Adaptation; Climate change; Risk assessment; Social learning; Vulnerability assessment ID MANAGEMENT; POLICY; SCIENCE; WATER AB Technical assessments of vulnerability and/or risk are increasingly being undertaken to assess the impacts of climate change. Underlying this is the belief that they will bring clarity to questions regarding the scale of institutional investments required, plausible adaptation policies and measures, and the timing of their implementation. Despite the perceived importance of technical assessments in 'evidence-based' decision environments, assessments cannot be undertaken independent of values and politics, nor are they capable of eliminating the uncertainty that clouds decision-making on climate adaptation As such, assessments can trigger as many questions as they answer, leaving practitioners and stakeholders to question their value. This paper explores the value of vulnerability/risk assessments in climate change adaptation planning processes as a catalyst for learning in four case studies in Southeastern Australia. Data were collected using qualitative interviews with stakeholders involved in the assessments and analysed using a social learning framework. This analysis revealed that detailed and tangible strategies or actions often do not emerge directly from technical assessments. However, it also revealed that the assessments became important platforms for social learning. In providing these platforms, assessments present opportunities to question initial assumptions, explore multiple framings of an issue, generate new information, and galvanise support for collective actions. This study highlights the need for more explicit recognition and understanding of the important role social learning plays in climate change vulnerability assessments and adaptation planning more broadly. C1 [Yuen, Emma] CSIRO Marine & Atmospher, Aspendale, Vic 3195, Australia. [Jovicich, Samantha Stone] James Cook Univ, CSIRO Ecosyst Sci & Climate Adaptat Flagship, ATSIP, Townsville, Qld 4811, Australia. [Preston, Benjamin L.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. RP Yuen, E (reprint author), CSIRO Marine & Atmospher, 107-121 Stn St, Aspendale, Vic 3195, Australia. EM emma.j.yuen@csiro.au; samantha.stone-jovicich@csiro.au; prestonbl@ornl.gov RI Preston, Benjamin/B-9001-2012; Stone-Jovicich, Samantha/G-3689-2011 OI Preston, Benjamin/0000-0002-7966-2386; Stone-Jovicich, Samantha/0000-0003-0839-0333 FU CSIRO Climate Change Adaptation Flagship FX The authors would like to acknowledge the project managers of the four case studies for their support, all the interviewees who gave up their time to be interviewed, the reviewers for their valuable comments and the CSIRO Climate Change Adaptation Flagship who funded the research. NR 50 TC 12 Z9 12 U1 1 U2 49 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JUN PY 2013 VL 18 IS 5 BP 567 EP 590 DI 10.1007/s11027-012-9376-4 PG 24 WC Environmental Sciences SC Environmental Sciences & Ecology GA 137DY UT WOS:000318416600004 ER PT J AU Ayaz-Maierhafer, B Hayward, JP Ziock, KP Blackston, MA Fabris, L AF Ayaz-Maierhafer, Birsen Hayward, Jason P. Ziock, Klaus P. Blackston, Matthew A. Fabris, Lorenzo TI Transmission and signal loss in mask designs for a dual neutron and gamma imager applied to mobile standoff detection SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Coded aperture imaging; Gamma ray imaging; Neutron imaging; Detection significance; CZT; CLYC ID CODED-APERTURE; LARGE-AREA; SOURCE-SEARCH; RAY IMAGER; ARRAYS AB In order to design a next-generation, dual neutron and gamma imager for mobile standoff detection which uses coded aperture imaging as its primary detection modality, the following design parameters have been investigated for gamma and neutron radiation incident upon a hybrid, coded mask: (1) transmission through mask elements for various mask materials and thicknesses; and (2) signal attenuation in the mask versus angle of incidence. Each of these parameters directly affects detection significance, as quantified by the signal-to-noise ratio. The hybrid mask consists of two or three layers: organic material for fast neutron attenuation and scattering, Cd for slow neutron absorption (if applied), and one of three of the following photon or photon and slow neutron attenuating materials-Linotype alloy, CLYC, or CZT. In the MCNP model, a line source of gamma rays (100-2500 keV), fast neutrons (1000-10,000 keV) or thermal neutrons was positioned above the hybrid mask. The radiation penetrating the mask was simply tallied at the surface of an ideal detector, which was located below the surface of the last mask layer. The transmission was calculated as the ratio of the particles transmitted through the fixed aperture to the particles passing through the closed mask. In order to determine the performance of the mask considering relative motion between the source and detector, simulations were used to calculate the signal attenuation for incident radiation angles of 0-50 degrees. The results showed that a hybrid mask can be designed to sufficiently reduce both transmission through the mask and signal loss at large angles of incidence, considering both gamma ray and fast neutron radiations. With properly selected material thicknesses, the signal loss of a hybrid mask, which is necessarily thicker than the mask required for either single mode imaging, is not a setback to the system's detection significance. (c) 2013 Elsevier B.V. All rights reserved. C1 [Ayaz-Maierhafer, Birsen; Hayward, Jason P.] Univ Tennessee, Knoxville, TN 37996 USA. [Hayward, Jason P.; Ziock, Klaus P.; Blackston, Matthew A.; Fabris, Lorenzo] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ayaz-Maierhafer, B (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM bayazmai@utk.edu RI Fabris, Lorenzo/E-4653-2013; OI Fabris, Lorenzo/0000-0001-5605-5615; Blackston, Matthew/0000-0003-2096-0108 FU US Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-10-X-00662] FX This work has been supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded IAA HSHQDC-10-X-00662. This support does not constitute an expressed or implied endorsement on the part of the Government. NR 21 TC 1 Z9 1 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2013 VL 712 BP 1 EP 8 DI 10.1016/j.nima.2013.02.001 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 136AQ UT WOS:000318332200001 ER PT J AU Bonicalzi, RM Collar, JI Colaresi, J Fast, JE Fields, NE Fuller, ES Hai, M Hossbach, TW Kos, MS Orrell, JL Overman, CT Reid, DJ VanDevender, BA Wiseman, C Yocum, KM AF Bonicalzi, R. M. Collar, J. I. Colaresi, J. Fast, J. E. Fields, N. E. Fuller, E. S. Hai, M. Hossbach, T. W. Kos, M. S. Orrell, J. L. Overman, C. T. Reid, D. J. VanDevender, B. A. Wiseman, C. Yocum, K. M. TI The C-4 dark matter experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Dark matter experiment; Direct detection; Low-mass dark matter; CoGeNT; Low threshold germanium ionization spectrometer AB We describe the experimental design of C-4, an expansion of the CoGeNT dark matter search to four identical detectors each approximately three times the mass of the p-type point contact germanium diode presently taking data at the Soudan Underground Laboratory. Expected reductions of radioactive backgrounds and energy threshold are discussed, including an estimate of the additional sensitivity to low-mass dark matter candidates to be obtained with this search. Published by Elsevier B.V. C1 [Bonicalzi, R. M.; Fast, J. E.; Fuller, E. S.; Hossbach, T. W.; Kos, M. S.; Orrell, J. L.; Overman, C. T.; Reid, D. J.; VanDevender, B. A.; Wiseman, C.] Pacific Northwest Lab, Richland, WA 99352 USA. [Collar, J. I.; Fields, N. E.; Hai, M.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Collar, J. I.; Fields, N. E.; Hai, M.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Colaresi, J.; Yocum, K. M.] CANBERRA Ind, Meriden, CT 06450 USA. RP Collar, JI (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. EM collar@uchicago.edu; john.orrell@gmail.com RI Orrell, John/E-9313-2015 OI Orrell, John/0000-0001-7968-4051 FU Ultra-Sensitive Nuclear Measurement (USNM) Initiative, a Laboratory Directed Research and Development (LDRD) program at the Pacific Northwest National Laboratory; NSF [PHY-0653605, PHY-1003940]; Kavli Foundation; DOE/NNSA Stewardship Science Graduate Fellowship program [DE-FC52-08NA28752]; Intelligence Community (IC) Postdoctoral Research Fellowship Program FX The Ultra-Sensitive Nuclear Measurement (USNM) Initiative, a Laboratory Directed Research and Development (LDRD) program at the Pacific Northwest National Laboratory partially supported this work. The authors thank the NSF (Grants PHY-0653605 and PHY-1003940) and the Kavli Foundation for partially supporting this work. N.E. Fields is supported by Grant DE-FC52-08NA28752 from the DOE/NNSA Stewardship Science Graduate Fellowship program. T.W. Hossbach is partially supported by the Intelligence Community (IC) Postdoctoral Research Fellowship Program. NR 23 TC 9 Z9 9 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2013 VL 712 BP 27 EP 33 DI 10.1016/j.nima.2013.02.012 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 136AQ UT WOS:000318332200004 ER PT J AU Henzl, V Croft, S Richard, J Swinhoe, MT Tobin, SJ AF Henzl, V. Croft, S. Richard, J. Swinhoe, M. T. Tobin, S. J. TI Determination of the plutonium content in a spent fuel assembly by passive and active interrogation using a differential die-away instrument SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Differential die-away; Spent nuclear fuel; Plutonium content AB In this paper, we present a novel approach to estimating the total plutonium content in a spent fuel assembly (SFA) that is based on combining information from a passive measurement of the total neutron count rate (PN) of the assayed SFA and a measure of its multiplication. While PN can be measured essentially with any non-destructive assay (NDA) technique capable of neutron detection, the measure of multiplication is, in our approach, determined by means of active interrogation using an instrument based on the Differential Die-Away technique (DDA). The DDA is a NDA technique developed within the U.S. Department of Energy's Next Generation Safeguards Initiative (NGSI) project focused on the utilization of NDA techniques to determine the elemental plutonium content in commercial nuclear SFA's [1]. This approach was adopted since DDA also allows determination of other SFA characteristics, such as burnup, initial enrichment, and cooling time, and also allows for detection of certain types of diversion of nuclear material. The quantification of total plutonium is obtained using an analytical correlation function in terms of the observed PN and active multiplication. Although somewhat similar approaches relating Pu content with PN have been adopted in the past, we demonstrate by extensive simulation of the fuel irradiation and NDA process that our analytical method is independent of explicit knowledge of the initial enrichment, burnup, and an absolute value of the SFA's reactivity (i.e. multiplication factor). We show that when tested with MCNPX (TM) simulations comprising the 64 SFA NGSI Spent Fuel Library-1 we were able to determine elemental plutonium content, using just a few calibration parameters, with an average variation in the prediction of around 1-2% across the wide dynamic range of irradiation history parameters used, namely initial enrichment (IE=2-5%), burnup (BU=15-60 GWd/tU) and cooling time (CT=1-80 y). In this paper we describe the basic approach and the success obtained against synthetic data. We recognize that our synthetic data may not fully capture the rich behavior of actual irradiated fuel and the uncertainties of the practical measurements. However, this design study is based on a rather complete nuclide inventory and the correlations for Pu seem robust to variation of input. Thus it is concluded that the proposed method is sufficiently promising that further experimentally based work is desirable. C1 [Henzl, V.; Croft, S.; Richard, J.; Swinhoe, M. T.; Tobin, S. J.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Henzl, V (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM henzl@lanl.gov FU Next Generation Safeguards Initiative (NGSI); Office of Nonproliferation and International Security (NIS); National Nuclear Security Administration (NNSA) FX The authors would like to acknowledge the support of the Next Generation Safeguards Initiative (NGSI), Office of Nonproliferation and International Security (NIS), National Nuclear Security Administration (NNSA). NR 8 TC 7 Z9 7 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2013 VL 712 BP 83 EP 92 DI 10.1016/j.nima.2013.02.006 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 136AQ UT WOS:000318332200011 ER PT J AU Ayaz-Maierhafer, B Hayward, JP Ziock, KP Blackston, MA Fabris, L AF Ayaz-Maierhafer, Birsen Hayward, Jason P. Ziock, Klaus P. Blackston, Matthew A. Fabris, Lorenzo TI Angular resolution study of a combined gamma-neutron coded aperture imager for standoff detection SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Coded mask; Gamma and neutron imager; Orphan source search; Nuclear imaging ID UNIFORMLY REDUNDANT ARRAYS; IMAGING-SYSTEM; LARGE-AREA; RAY AB Nuclear threat source observables at standoff distances of tens of meters from mCi class sources include both gamma-rays and neutrons. This work uses simulations to investigate the effects of the angular resolution of a mobile gamma-ray and neutron coded aperture imaging system upon orphan source detection significance and specificity. The design requires maintaining high sensitivity and specificity while keeping the system size as compact as possible to reduce weight, footprint, and cost. A mixture of inorganic and organic scintillators was considered in the detector plane for high sensitivity to both gamma-rays and fast neutrons. For gamma-rays (100 to 2500 keV) and fission spectrum neutrons, angular resolutions of 1-9 degrees and radiation angles of incidence appropriate for mobile search were evaluated. Detection significance for gamma-rays considers those events that contribute to the photopeak of the image pixel corresponding the orphan source location. For detection of fission spectrum neutrons, energy depositions above a set pulse shape discrimination threshold were tallied. The results show that the expected detection significance for the system at an angular resolution of 1 degrees is significantly lower compared to its detection significance an angular resolution of similar to 3-4 degrees. An angular resolution of similar to 3-4 degrees is recommended both for better detection significance and improved false alarm rate, considering that finer angular resolution does not result in improved background rejection when the coded aperture method is used. Instead, over-pixelating the search space may result in an unacceptably high false alarm rate. (c) 2013 Elsevier B.V. All rights reserved. C1 [Ayaz-Maierhafer, Birsen; Hayward, Jason P.] Univ Tennessee, Knoxville, TN 37996 USA. [Hayward, Jason P.; Ziock, Klaus P.; Blackston, Matthew A.; Fabris, Lorenzo] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ayaz-Maierhafer, B (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM bayazmai@utk.edu RI Fabris, Lorenzo/E-4653-2013; OI Fabris, Lorenzo/0000-0001-5605-5615; Blackston, Matthew/0000-0003-2096-0108 FU US Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-10-X-00662] FX This work has been supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded IAA HSHQDC-10-X-00662. This support does not constitute an express or implied endorsement on the part of the Government. NR 19 TC 1 Z9 1 U1 0 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2013 VL 712 BP 120 EP 125 DI 10.1016/j.nima.2013.02.005 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 136AQ UT WOS:000318332200016 ER PT J AU Goddard, B Croft, S AF Goddard, Braden Croft, Stephen TI High-fidelity passive neutron multiplicity measurements and simulations of uranium oxide SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Epithermal neutron multiplicity counter (ENMC); Monte Carlo N Particle Extended (MCNPX); Passive neutron multiplicity counting; Uranium nondestructive assay; Point-model; Multiplicity analysis ID LIGHT-ELEMENTS AB When measuring low-self-multiplication uranium samples by passive neutron multiplicity counting, a technique not commonly used on uranium, there should be a decrease in the doubles counts with increasing enrichment. The reason for this decrease is explained as being due to the reduction in U-238 mass, which has a large specific spontaneous fission rate in comparison to the other naturally occurring uranium isotopes. However, this is an over simplification of the actual nuclear physics which is occurring in bulk oxide items. The neutron multiplicity production rates are affected by many factors, such as the items self-multiplication, uranium isotopic composition which controls the spontaneous fission to (alpha,n) neutron production ratio, and the energy distribution of the emitted neutrons which includes induced fission neutrons. This paper presents a high-fidelity analysis of the passive neutron multiplicity distributions for varying enrichments of known uranium oxide standards. This analysis was performed through physical measurements of standards using the Los Alamos Epithermal Neutron Multiplicity Counter (ENMC) and detailed Monte Carlo N Particle Extended (MCNPX) neutron transport simulations supplemented with best available source term data. The MCNPX simulations reproduced the generic trends observed experimentally but absolute agreement is modest, especially for the triples counting. This suggests improvements in basic nuclear data are needed. (c) 2013 Elsevier B.V. All rights reserved. C1 [Goddard, Braden] Texas A&M Univ, Nucl Sci Secur & Policy Inst, College Stn, TX 77843 USA. [Croft, Stephen] Oak Ridge Natl Lab, Global Nucl Secur Technol Div, Oak Ridge, TN 37831 USA. RP Goddard, B (reprint author), Texas A&M Univ, Nucl Sci Secur & Policy Inst, College Stn, TX 77843 USA. EM goddard.braden@gmail.com FU Nuclear Nonproliferation International Safeguards Graduate Fellowship Program; National Nuclear Security Administration's Next Generation Safeguards Initiative (NGSI); US Department of Energy (DOE); National Nuclear Security Administration (NNSA); Office of Nonproliferation Research and Development [NA-22] FX The authors would like to acknowledge the Nuclear Nonproliferation International Safeguards Graduate Fellowship Program for supporting Braden Goddard. LANL should also be acknowledged for allowing the use of their facilities, equipment, and nuclear materials. The authors would also like to acknowledge Dr. Louise Evans (LANL) and Mr. Matt Hykel (LANL) for their help in setting up the ENMC and in performing the measurements. This research was performed under appointment to the Nuclear Nonproliferation International Safeguards Graduate Fellowship Program sponsored by the National Nuclear Security Administration's Next Generation Safeguards Initiative (NGSI). This work was sponsored by the US Department of Energy (DOE), National Nuclear Security Administration (NNSA), and Office of Nonproliferation Research and Development (NA-22). NR 38 TC 2 Z9 3 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2013 VL 712 BP 147 EP 156 DI 10.1016/j.nima.2013.02.007 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 136AQ UT WOS:000318332200020 ER PT J AU Bhattacharya, RN AF Bhattacharya, Raghu N. TI CIGS-based solar cells prepared from electrodeposited stacked Cu/In/Ga layers SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Electrodeposition; Copper indium gallium diselenide; Photovoltaic ID CUIN1-XGAXSE2-BASED PHOTOVOLTAIC CELLS; PRECURSOR FILMS; SYSTEM AB Previously, we reported 15.4%-efficient copper indium gallium diselenide (CIGS)-based photovoltaic devices from electrodeposited precursor films in which the final film composition was adjusted using the physical vapor deposition (PVD) method. At present, we are fabricating CIGS-based solar cells directly from electrodeposited precursor films, eliminating the expensive PVD step. Electrodeposited CIGS absorber layers are fabricated from a stacked Cu/In/Ga layers. All films are electrodeposited from an aqueous-based solution at room temperature in a two-electrode cell configuration, with platinum gauze as the counter electrode and a glass substrate as the working electrode. The substrate is DC-sputtered with about 1 mu m of Mo. The electrodeposited films are selenized at high temperature (similar to 550 degrees C) to obtain 11.7%-efficient device. (C) 2013 Elsevier B.V. All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bhattacharya, RN (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM raghu.bhattacharya@nrel.gov FU Alliance for Sustainable Energy, LLC [DE-AC36-08GO28308]; U.S. Department of Energy FX The author thank Clay De Hart (NCPV, NREL) for device fabrication, Bobby To (NCPV, NREL) for scanning electron micrographs, Glenn Teeter for AES analysis and Paul Ciszek (NCPV, NREL) for official J-V measurements. This work has been performed by an employee of the Alliance for Sustainable Energy, LLC, under contract number DE-AC36-08GO28308 with the U.S. Department of Energy (LDRD Program). 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 21 TC 27 Z9 28 U1 3 U2 83 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD JUN PY 2013 VL 113 BP 96 EP 99 DI 10.1016/j.solmat.2013.01.028 PG 4 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 136SW UT WOS:000318384700015 ER PT J AU Hsu, WC Repins, I Beall, C DeHart, C Teeter, G To, B Yang, Y Noufi, R AF Hsu, Wan-Ching Repins, Ingrid Beall, Carolyn DeHart, Clay Teeter, Glenn To, Bobby Yang, Yang Noufi, Rommel TI The effect of Zn excess on kesterite solar cells SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE CZTS; Kesterite; Thin film; Solar cell; Co-evaporation; Earth-abundant AB Accuracy in composition control has been one of the top issues for fabricating high-performance kesterite (Cu2ZnSn(Se,S)(4)) solar cells. A detailed understanding of the effect of Zn excess on device performance has not yet been demonstrated. Thus, specific criteria for high-performance devices, in particular discriminating between the effects of Zn-rich features at the front versus the back of the absorber, are desired. In this study, we report that co-evaporated kesterite absorbers can demonstrate high device efficiency despite the presence of large quantities of ZnSe. However, the benign presence of ZnSe is found to be conditional. While large ZnSe grains on the back of the absorbers are not harmful to device performance, the ZnSe grains produced by excess Zn near the end of the deposition degrade the cell efficiency from 8% level to 6% level (without anti-reflection coatings). The other effect related to excess Zn on the front of absorber is the facilitation of breakdown in lower reverse bias. The breakdown indicated here occurs only under the illumination of blue photons, and to our best knowledge has not been reported before. The exact mechanism of the breakdown remains open, but it is demonstrated to be related to the photoconductivity of CdS, and is thus possibly a symptom of lateral defect issues in the absorber, caused by the overdose of Zn. The same type of issue contributing to the breakdown may also be responsible for part of the parasitic loses at the working voltage, and therefore warrants further research. (C) 2013 Elsevier B.V. All rights reserved. C1 [Hsu, Wan-Ching; Yang, Yang] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Repins, Ingrid; Beall, Carolyn; DeHart, Clay; Teeter, Glenn; To, Bobby; Noufi, Rommel] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Repins, I (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM ingrid.repins@nrel.gov; yangy@ucla.edu RI Yang, Yang/A-2944-2011 NR 16 TC 55 Z9 55 U1 3 U2 146 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD JUN PY 2013 VL 113 BP 160 EP 164 DI 10.1016/j.solmat.2013.02.015 PG 5 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 136SW UT WOS:000318384700025 ER PT J AU Sinha, DN Pantea, C AF Sinha, Dipen N. Pantea, Cristian TI Broadband unidirectional ultrasound propagation using sonic crystal and nonlinear medium SO EMERGING MATERIALS RESEARCH LA English DT Article DE band structure; composite materials; sensors; superlattice AB The development of a passive, sonic crystal-based device with unusual properties is reported in this study. This device combines a 1D sonic crystal, a nonlinear medium and an acoustic low-pass filter to allow unidirectional broadband ultrasound propagation as a collimated beam for specialized underwater communication. The signal (220-400 kHz) to be transmitted is first amplitude modulated with a high-frequency ultrasonic carrier wave (2.7-3.25 MHz) and applied to one side of the device. The device then demodulates this signal, and consequently, the original low-frequency signal appears as a collimated beam on the other side. The sonic crystal provides a band-pass acoustic filter through which the high-frequency ultrasonic signal can pass through, and the nonlinear medium then demodulates the signal and also generates the low-frequency sound beam through the parametric array concept. The low-pass filter strips off any remaining high-frequency components and also contributes to the unidirectional property of the device. Design details of the device and experimental data are presented. C1 [Sinha, Dipen N.; Pantea, Cristian] Los Alamos Natl Lab, Electrochem & Sensors Grp, Los Alamos, NM 87545 USA. RP Sinha, DN (reprint author), Los Alamos Natl Lab, Electrochem & Sensors Grp, Los Alamos, NM 87545 USA. EM sinha@lanl.gov RI Pantea, Cristian/D-4108-2009; OI Sinha, Dipen/0000-0002-3606-7907 FU Los Alamos National Laboratory FX The authors are grateful to Mr. Craig Chavez for the design and fabrication of the sonic crystal and the setup. This research was supported through internal funding from the Los Alamos National Laboratory. NR 33 TC 4 Z9 4 U1 0 U2 1 PU ICE PUBLISHING PI WESTMINISTER PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND SN 2046-0147 EI 2046-0155 J9 EMERG MATER RES JI Emerg. Mater. Res. PD JUN PY 2013 VL 2 IS 3 BP 117 EP 126 DI 10.1680/emr.12.00039 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA V41HR UT WOS:000209537800002 ER PT J AU Wang, LY Li, MM Almer, J Bieler, T Barabash, R AF Wang, Leyun Li, Meimei Almer, Jonathan Bieler, Thomas Barabash, Rozaliya TI Microstructural characterization of polycrystalline materials by synchrotron X-rays SO FRONTIERS OF MATERIALS SCIENCE LA English DT Review DE differential-aperture X-ray microscopy (DAXM); three-dimensional X-ray diffraction (3DXRD); wide angle/small angle X-ray scattering (WAXS/SAXS) ID ELECTRON BACKSCATTERED DIFFRACTION; IN-SITU; GRAIN-BOUNDARIES; DISLOCATION DENSITY; HETEROGENEOUS DEFORMATION; INDIVIDUAL GRAINS; STRAIN TENSOR; MICROSCOPY; TENSILE; STEEL AB Third generation synchrotron X-rays provide an unprecedented opportunity for microstructural characterization of many engineering materials as well as natural materials. This article demonstrates the usage of three techniques for the study of structural materials: differential-aperture X-ray microscopy (DAXM), three-dimensional X-ray diffraction (3DXRD), and simultaneous wide angle/small angle X-ray scattering (WAXS/SAXS). DAXM is able to measure the 3D grain structure in polycrystalline materials with high spatial and angular resolution. In a deformed material, streaked diffraction peaks can be used to analyze local dislocation content in individual grains. Compared to DAXM, 3DXRD is able to map grains in bulk materials more quickly at the expense of spatial resolution. It is very useful for studying evolving microstructures when the materials are under deformation. WAXS/SAXS is suitable for studying materials with inhomogeneous structure, such as precipitate strengthened alloys. Structural information revealed by WAXS and SAXS can be combined for a deeper insight into material behavior. Future development and applications of these three techniques will also be discussed. C1 [Wang, Leyun; Li, Meimei] Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA. [Almer, Jonathan] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. [Bieler, Thomas] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Barabash, Rozaliya] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wang, LY (reprint author), Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA. EM leyunwang@anl.gov FU U.S. Department of Energy [DE-AC02-06CH11357]; US DOE office of science, basic energy science FX The authors would like to thank Wenjun Liu, Martin Crimp, Carl Boehlert, Hongmei Li, Peter Kenesei, Ulrich Lienert, Armand Beaudoin, and Jan Ilavsky for their contribution to this paper. This work was supported under the U.S. Department of Energy contract DE-AC02-06CH11357. R. B. is partially supported by US DOE office of science, basic energy science. NR 78 TC 9 Z9 9 U1 8 U2 49 PU HIGHER EDUCATION PRESS PI BEIJING PA NO 4 DEWAI DAJIE, BEIJING 100120, PEOPLES R CHINA SN 2095-025X EI 2095-0268 J9 FRONT MATER SCI JI Front. Mater. Sci. PD JUN PY 2013 VL 7 IS 2 BP 156 EP 169 DI 10.1007/s11706-013-0201-0 PG 14 WC Materials Science, Multidisciplinary SC Materials Science GA AH9BD UT WOS:000336432900005 ER PT J AU Antonopoulos, DA AF Antonopoulos, D. A. TI The 'Meta' Era of Microbiology: Cheaper Sequencing and Bigger Data. SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Antonopoulos, D. A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. EM dion@anl.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD JUN PY 2013 VL 49 SU 1 MA A-1 BP S5 EP S5 PG 1 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA V41LL UT WOS:000209547600011 ER PT J AU Shen, H Poovaiah, CR Ziebell, A Tschaplinski, TJ Pattathil, S Yee, KL Rodriguez, M Gjersing, E Engle, N Katahira, R Pu, YQ Sykes, R Chen, F Ragauskas, AJ Mielenz, JR Hahn, MG Davis, M Stewart, CN Dixon, RA AF Shen, Hui Poovaiah, Charleson R. Ziebell, Angela Tschaplinski, Timothy J. Pattathil, Sivakumar Yee, Kelsey L. Rodriguez, Miguel, Jr. Gjersing, Erica Engle, Nancy Katahira, Rui Pu, Yunqiao Sykes, Robert Chen, Fang Ragauskas, Arthur J. Mielenz, Jonathan R. Hahn, Michael G. Davis, Mark Stewart, C. Neal, Jr. Dixon, Richard A. TI Overexpression of PvMYB4 in Switchgrass Reduces Cell Wall Recalcitrance and Leads to Very High Cellulosic Ethanol Yields. SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Shen, Hui; Chen, Fang; Dixon, Richard A.] Univ N Texas, Denton, TX 76203 USA. [Poovaiah, Charleson R.; Stewart, C. Neal, Jr.] Univ Tennessee, Knoxville, TN 37996 USA. [Ziebell, Angela; Gjersing, Erica; Katahira, Rui; Sykes, Robert; Davis, Mark] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Pattathil, Sivakumar; Hahn, Michael G.] Univ Georgia, Athens, GA 30602 USA. [Shen, Hui; Poovaiah, Charleson R.; Ziebell, Angela; Tschaplinski, Timothy J.; Pattathil, Sivakumar; Yee, Kelsey L.; Rodriguez, Miguel, Jr.; Gjersing, Erica; Engle, Nancy; Katahira, Rui; Pu, Yunqiao; Sykes, Robert; Chen, Fang; Ragauskas, Arthur J.; Mielenz, Jonathan R.; Hahn, Michael G.; Davis, Mark; Stewart, C. Neal, Jr.; Dixon, Richard A.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. EM hshen@noble.org; Richard.Dixon@unt.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD JUN PY 2013 VL 49 SU 1 MA P-43 BP S28 EP S28 PG 1 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA V41LL UT WOS:000209547600073 ER PT J AU Degenstein, J Kamireddy, SR Tucker, MP Ji, Y AF Degenstein, John Kamireddy, Srinivas Reddy Tucker, Melvin P. Ji, Yun TI Oligomer saccharide reduction during dilute acid pretreatment co-catalyzed with Lewis acids on corn stover biomass SO INTERNATIONAL JOURNAL OF AGRICULTURAL AND BIOLOGICAL ENGINEERING LA English DT Article DE pretreatment; corn stover; biomass; biofuel; enzymatic saccharification; Lewis acid; transition metal ID LIGNOCELLULOSIC BIOMASS; METAL CHLORIDES; HYDROLYSIS; CELLULOSE; INHIBITORS; CONVERSION; FEATURES; SALTS; WATER AB The dilute sulfuric acid pretreatment of lignocellulosic biomass is a well understood process that significantly enhances the yield of glucose after enzymatic saccharification. The goal of this research was to perform a systematic study to evaluate the yield of fermentable sugars during dilute sulfuric acid pretreatment that is co-catalyzed with the transition metal Lewis acid salts: AlCl3, FeCl2, FeCl3, and La(OTf)(3). All Lewis acids apart from FeCl2 reduced the presence of xylo-oligomers by a large margin when compared to the non-co-catalyzed control sample pretreatments. The presence of these xylo-oligomers acts as inhibitors during enzymatic saccaharification step. The Lewis acids AlCl3, FeCl3, and La(OTf)(3) were also able to marginally increase the overall enzymatic digestibility specifically for corn stover pretreated at 160 degrees C with 10 mM of Lewis acids. The hard Lewis acid such as AlCl3 increased the formation inhibitory products such as furfural and 5-hydroxymethylfurfural (HMF). There was good correlation between reduction of xylo-oligomers and increased concentration furfural with increase in Lewis acid hardness. C1 [Degenstein, John] Purdue Univ, Dept Chem Engn, W Lafayette, IN 47907 USA. [Kamireddy, Srinivas Reddy; Ji, Yun] Univ N Dakota, Dept Chem Engn, Grand Forks, ND 58202 USA. [Tucker, Melvin P.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ji, Y (reprint author), Univ N Dakota, Dept Chem Engn, 241 Centennial Dr, Grand Forks, ND 58202 USA. EM jdegenst@purdue.edu; kamireddy.srinu@gmail.com; melvin.tucker@nrel.gov; yun.ji@engr.und.edu FU National Renewable Energy Laboratory [AEV-0-40634-01]; North Dakota Experimental Program to Stimulate Competitive Research (EPSCoR) FX This study was financially supported by National Renewable Energy Laboratory Subcontract No. AEV-0-40634-01 and North Dakota Experimental Program to Stimulate Competitive Research (EPSCoR). NR 32 TC 9 Z9 9 U1 3 U2 29 PU CHINESE ACAD AGRICULTURAL ENGINEERING PI BEIJING PA RM 506, 41, MAIZIDIAN ST, CHAOYANG DISTRICT, BEIJING, 100125, PEOPLES R CHINA SN 1934-6344 EI 1934-6352 J9 INT J AGR BIOL ENG JI Int. J. Agric. Biol. Eng. PD JUN PY 2013 VL 6 IS 2 BP 54 EP 62 DI 10.3965/j.ijabe.20130602.007 PG 9 WC Agricultural Engineering SC Agriculture GA AK2RL UT WOS:000338267100007 ER PT J AU Chae, SR Moon, J Yoon, S Bae, S Levitz, P Winarski, R Monteiro, PJM AF Chae, Sejung R. Moon, Juhyuk Yoon, Seyoon Bae, Sungchul Levitz, Pierre Winarski, Robert Monteiro, Paulo J. M. TI Advanced Nanoscale Characterization of Cement Based Materials Using X-Ray Synchrotron Radiation: A Review SO INTERNATIONAL JOURNAL OF CONCRETE STRUCTURES AND MATERIALS LA English DT Article DE X-ray; microscopy; tomography; STXM; X-ray diffraction; high pressure; tobermorite; CSH; fly ash ID ADVANCED-LIGHT-SOURCE; HIGH-PRESSURE; THIN-FILMS; MAS NMR; MICRODIFFRACTION; MICROSCOPE; CONCRETE; ORIENTATION; DIFFRACTION; ETTRINGITE AB We report various synchrotron radiation laboratory based techniques used to characterize cement based materials in nanometer scale. High resolution X-ray transmission imaging combined with a rotational axis allows for rendering of samples in three dimensions revealing volumetric details. Scanning transmission X-ray microscope combines high spatial resolution imaging with high spectral resolution of the incident beam to reveal X-ray absorption near edge structure variations in the material nanostructure. Microdiffraction scans the surface of a sample to map its high order reflection or crystallographic variations with a micron-sized incident beam. High pressure X-ray diffraction measures compressibility of pure phase materials. Unique results of studies using the above tools are discussed-a study of pores, connectivity, and morphology of a 2,000 year old concrete using nanotomography; detection of localized and varying silicate chain depolymerization in Al-substituted tobermorite, and quantification of monosulfate distribution in tricalcium aluminate hydration using scanning transmission X-ray microscopy; detection and mapping of hydration products in high volume fly ash paste using microdiffraction; and determination of mechanical properties of various AFm phases using high pressure X-ray diffraction. C1 [Chae, Sejung R.; Moon, Juhyuk; Yoon, Seyoon; Bae, Sungchul; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Levitz, Pierre] Univ Paris 05, CNRS, Lab PECSA, F-75252 Paris, France. [Winarski, Robert] Argonne Natl Lab, Ctr Nanaoscale Mat, Argonne, IL 60439 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@ce.berkeley.edu RI Moon, Juhyuk/B-7009-2016; OI Moon, Juhyuk/0000-0002-7049-892X; Yoon, Seyoon/0000-0002-3451-5518 FU King Abdullah University of Science and Technology (KAUST) [KUS-11-004021]; National Institute of Standards and Technology (NIST) [60NANB10D014]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Science, Department of Energy [DE-AC02-05CH11231] FX This publication is based on studies supported in part by Award No. KUS-11-004021, made by King Abdullah University of Science and Technology (KAUST) and by National Institute of Standards and Technology (NIST) Grant 60NANB10D014. We thank Helmholtz-Zentrum Berlin (HZB) for the allocation of beamtime at the soft X-ray microscope at Berliner Elektronenspeicherring-Gesellschaft fur Synchrotronstrahlung (BESSY); and to Peter Guttmann and Katja Henzler for their scientific support at the HZB-U41/1-TXM beamline. Use of the hard X-ray nanotomography beamline at 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. The data for STXM (beamlines 5.3.2.1 and 5.3.2.2), microdiffraction (beamline 12.3.2), and HPXRD (beamline 12.2.2) were acquired at the Advanced Light Source, supported by the Director of the Office of Science, Department of Energy, under Contract No. DE-AC02-05CH11231. We thank David A. Kilcoyne, Tolek Tyliszczak, Martin Kunz, Nobumichi Tamura, and Simon Clark for their scientific support at the Advanced Light Source. We are grateful for Marie D. Jackson and the Romacons drilling project in collaboration with CTG Italcementi in Bergamo, Italy, for the procurement and preparation of the ancient Roman harbor concrete samples. Finally, we thank Kang Su Kim for his valuable discussions during the production of this paper. NR 55 TC 19 Z9 19 U1 9 U2 32 PU KOREA CONCRETE INST PI SEOUL PA KOREA SCI & TECH CENTER, STE 1009, NEW BLDG, 22, 7GIL, TEHERAN-RO, KANGNAM-GU, SEOUL, 135-703, SOUTH KOREA SN 1976-0485 EI 2234-1315 J9 INT J CONCR STRUCT M JI Int. J. Concr. Struct. Mater. PD JUN PY 2013 VL 7 IS 2 BP 95 EP 110 DI 10.1007/s40069-013-0036-1 PG 16 WC Construction & Building Technology; Engineering, Civil; Materials Science, Multidisciplinary SC Construction & Building Technology; Engineering; Materials Science GA AT2FW UT WOS:000344749500001 ER PT J AU Carroll, S Hao, Y Smith, M Sholokhova, Y AF Carroll, Susan Hao, Yue Smith, Megan Sholokhova, Yelena TI Development of scaling parameters to describe CO2-rock interactions within Weyburn-Midale carbonate flow units SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Enhanced oil recovery; Carbonates; Carbon Sequestration; Reactive-transport AB The purpose of this research was to calibrate relationships between porosity, permeability, and carbonate rate laws for two distinct carbonate rock types from the Weyburn-Midale field against experimental and characterization measurements. Subcores from the Midale Marly dolostone and Vuggy limestone reservoir flow units were reacted with brines equilibrated with pCO(2) = 3 MPa at 60 degrees C and simulated from the micron to centimeter scale using 3D reactive transport models. Our results indicate that laboratory-derived dissolution rate equations, rate constants, activation energies, and thermodynamic solubility constants can be used to describe the observed calcite and dolomite dissolution, but rate constants may need to be adjusted to account for order of magnitude uncertainties in the initial effective surface area measurements. Successful modeling required empirically estimating the effective grid permeability for heterogeneous samples in which much of the porosity is below the resolution of the 3D imaging of the cores. Porosity and permeability relationships were also dependent on sample pore structure and its heterogeneity. These correlations were fitted by a power law with exponent n equal to 3 and 8 for the more homogeneous Marly dolostone and the highly heterogeneous Vuggy limestone, respectively. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Carroll, Susan; Hao, Yue; Smith, Megan; Sholokhova, Yelena] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Carroll, S (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM carroll6@llnl.gov FU U.S. Department of Energy (US DOE) [DE-AC52-07NA27344 (LLNL-JRNL-575613-DRAFT)]; US DOE, Office of Basic Energy Sciences [DE-AC02-05CH11231]; Petroleum Research Technology Center (PTRC); IEA GHG Weyburn-Monitoring and Storage Project; US DOE, Office of Fossil Energy, Carbon Sequestration Program FX This work was performed under the auspices of the U.S. Department of Energy (US DOE) by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 (LLNL-JRNL-575613-DRAFT). The authors would like to thank two reviewers for their comments; Gavin Jensen and Richard Wood (Saskatchewan Geological Survey) for providing core samples; Victoria Genetti and Rachel Lindvall for ICP-MS analyses, Rick Kemptner and Dave Ruddle for experimental fabrication, Sharon Torres for BSE data acquisition. XMCT characterization data were collected on the ID-19 beamline at the European Synchrotron Radiation Facility, Grenoble France, with the assistance of Paul Tafforeau and on beamline 8.3.2 at the Advanced Light Source with the assistance of Alastair MacDowell and Dula Parkinson. The Advanced Light Source is supported by the US DOE, Office of Basic Energy Sciences, under contract DE-AC02-05CH11231. Funding for this work was provided the Petroleum Research Technology Center (PTRC), IEA GHG Weyburn-Monitoring and Storage Project and the US DOE, Office of Fossil Energy, Carbon Sequestration Program. NR 35 TC 24 Z9 24 U1 1 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2013 VL 16 SU 1 BP S185 EP S193 DI 10.1016/j.ijggc.2012.12.026 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA V37XJ UT WOS:000209308200017 ER PT J AU McNab, WW Ramirez, AL Johnson, JW AF McNab, W. W. Ramirez, A. L. Johnson, J. W. TI Quantifying reactive chemistry along an injected CO2 flow path at the field scale using a Monte Carlo simulation approach SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Geochemical modeling; Reactive transport modeling; Inverse modeling; Monte Carlo simulation AB A Markov Chain Monte Carlo reactive transport modeling approach was applied to the problem of constraining the distribution of key reactive mineral phases along a flow path between a CO2 injector well and a monitor well at the Weyburn-Midale field in Saskatchewan. The methodology entails postulating a spatially correlated mineral distribution consisting of calcite, dolomite, anhydrite, and K-feldspar, characterized by specified volume fractions and intrinsic dissolution rates, in contact with an ambient brine composition along a one-dimensional flow path. Thousands of forward reactive transport simulations, conducted with PHREEQC, were run for the column, with simulated changes in brine chemistry compared with both synthetic test problem data as well as field data. We used a composite likelihood function to compare modeled and measured pH and concentrations of Ca2+, Mg2+, and Si. New realizations were proposed by replacing a small, contiguous section of the column with a new distribution of minerals that maintained spatial correlation with the remainder of the column. Proposed realizations were accepted/rejected using the Metropolis-Hastings acceptance criteria. If a proposal was accepted, the modified mineral distribution served as the basis for a new distribution, otherwise the modification was rejected as a non-improvement. Application of the inverse modeling approach to a synthetic problem demonstrated nearly complete recovery of a specified initial mineral distribution (i.e., "synthetic truth") along the flow path, provided that "measurements" (synthetic data) were available across the entire column. Partial recovery of the synthetic truth was still achievable as the amount of data available for inversion was reduced to a single "measurement" collected at the column endpoint, mimicking the typical situation in the field. When applied to real brine chemistry data from a 1-km x 1-km test area at the Weyburn-Midale reservoir, the inversion approach identified variations in the amounts of dolomite and calcite available for reaction along the flow path, given simplifying assumptions concerning permeability, pressure gradient, mineral specific surface, and the extent of mixing in the formation. These variations are qualitatively consistent with known compositional variability in mineralogy between the CO2 injector and the monitoring well location. (C) 2013 Elsevier Ltd. All rights reserved. C1 [McNab, W. W.; Ramirez, A. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Johnson, J. W.] Schlumberger Doll Res Ctr, Cambridge, MA USA. RP McNab, WW (reprint author), Lawrence Livermore Natl Lab, POB 808,L-231, Livermore, CA 94551 USA. EM mcnab1@llnl.gov FU U.S. Department of Energy [DE-AC52-07NA27344]; Petroleum Technology Research Center, Saskatchewan, Canada FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We are grateful for the funding support provided by the Petroleum Technology Research Center, Saskatchewan, Canada. Brine chemistry data were provided by Maurice Shevalier, University of Calgary. We also thank the two anonymous reviewers for their helpful comments. NR 12 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2013 VL 16 SU 1 BP S194 EP S202 DI 10.1016/j.ijggc.2013.01.017 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA V37XJ UT WOS:000209308200018 ER PT J AU Ramirez, A White, D Hao, Y Dyer, K Johnson, J AF Ramirez, A. White, D. Hao, Y. Dyer, K. Johnson, J. TI Estimating reservoir permeabilities using the seismic response to CO2 injection and stochastic inversion SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Markov Chain Monte Carlo; Seismic reflection; Geophysics; Monitoring AB A Markov Chain Monte Carlo (MCMC) stochastic inversion tool has been developed that identifies porosity/permeability models that minimize the misfit between observed seismic reflection data, reservoir flow modeling, geostatistical methods, and a novel stochastic inversion technique to identify optimal porosity/permeability models. Reservoir model optimization is accomplished through stepwise refinement of its permeability magnitude and heterogeneity. In each step of the inversion, reservoir conditions and CO2 migration are calculated for the current model realization under prescribed CO2/H2O injection and hydrocarbon/H2O withdrawal. Comparison of observed seismic reflection responses with those calculated for the resultant reservoir conditions determine the associated likelihood and whether the proposed reservoir model is acceptable. This process is repeated until the process converges. The algorithm is demonstrated with a synthetic data example showing that primary features of the known porosity/permeability distribution can be recovered. The inversion algorithm is then applied to observed seismic data example from the IEA GHG Weyburn-Midale CO2 Monitoring and Storage Project with limited success. Shortcomings in applying the methodology to real data is assessed and recommendations for improvements are provided. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Ramirez, A.; Hao, Y.; Dyer, K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [White, D.] Geol Survey Canada, Ottawa, ON K1A 0E9, Canada. [Johnson, J.] Schlumberger Doll Res Ctr, Cambridge, MA 02139 USA. RP Ramirez, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM Ramirez3@llnl.gov FU Petroleum Technology Research Center, Saskatchewan, Canada; U.S. Department of Energy [DE-AC52-07NA27344] FX We are grateful for the funding support provided by the Petroleum Technology Research Center, Saskatchewan, Canada. We are also grateful for the data provided by Barbara Dietiker (Geological Survey of Canada), Erik Nickel (Saskatchewan Ministry of Energy and Resources) and G. Njiekak (University of Alberta). We also want to acknowledge the contributions of colleague Jeff Wagoner (LLNL) who provided various adaptions of the reservoir model originally developed by Cenovus. This work has been performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 26 TC 1 Z9 1 U1 0 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2013 VL 16 SU 1 BP S146 EP S159 DI 10.1016/j.ijggc.2012.11.031 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA V37XJ UT WOS:000209308200014 ER PT J AU Risk, D McArthur, G Nickerson, N Phillips, C Hart, C Egan, J Lavoie, M AF Risk, David McArthur, Gordon Nickerson, Nicholas Phillips, Claire Hart, Christian Egan, Jocelyn Lavoie, Martin TI Bulk and isotopic characterization of biogenic CO2 sources and variability in the Weyburn injection area SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Carbon capture and storage; Enhanced oil recovery; Seepage; Monitoring; MMV; Radiocarbon AB To help evaluate surface monitoring tools for Weyburn, it is important to establish ranges of natural variation, and signal to noise ratio (SNR) of MMV tools in their intended setting. This study took place at three sites, two of which were in the injection field. For six months, we measured parameters at various temporal scales from half-hourly (CO2 surface flux and meteorology), to monthly (soil gas CO2 and delta(CO2)-C-13), to bi-monthly (soil gas (CO2)-C-14), to compare SNRs of promising MMV techniques for Weyburn. Our summary of findings is as follows: 1. All observed data fell within the range of values considered normal for Weyburn and for proximal control sites such as the Minard farm. 2. High temporal variation in CO2 surface fluxes were observed. Lower atmospheric CO2 concentrations were also highly variant, and coupled with abiotic factors. A modelling strategy was able to reduce observed variability by 80-95%. When used together, soil CO2 surface flux + modelling methods can produce high SNRs for leak detection. 3. Temporal variability in soil profile CO2 concentration was controlled by soil gas diffusivity (soil wetting/drying) and not biological production. Despite various sources of noise, we conclude that soil gas bulk CO2 investigations can still be useful for MMV. 4. There were many possible influences on delta(CO2)-C-13, including biological variation, normal steady and non-steady state physical transport (several %), spatial differences (0-3%), and temporal fluctuations (0-3%). The effects of these influences are cumulative. Relative to this background variation, the Cenovus-source delta(CO2)-C-13 is not highly differentiated, and delta(CO2)-C-13 is not a robust tracer. 5. High precision radiocarbon soil profile data indicates that CO2 produced within the soil profile is modern and its average age is less than decades old. This age is consistent with other studies, and recent Kerr investigations (Trium, 2011). There was a tendency towards older (CO2)-C-14 production with increasing depth. There is a marked differentiation in (CO2)-C-14 signature from deep gases, and low variation. Radiocarbon is a very promising tracer for Weyburn with high SNR. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Risk, David; Hart, Christian; Egan, Jocelyn; Lavoie, Martin] St Francis Xavier Univ, Dept Earth Sci, Antigonish, NS B2G 2W5, Canada. [McArthur, Gordon; Nickerson, Nicholas] Forerunner Res Inc, Dartmouth, NS B2Y 4M9, Canada. [Phillips, Claire] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. RP Risk, D (reprint author), St Francis Xavier Univ, Dept Earth Sci, Antigonish, NS B2G 2W5, Canada. EM drisk@stfx.ca; gordon@forerunnerresearch.ca; nick@forerunnerresearch.ca; claire.phillips@llnl.gov; chart@stfx.ca; jegan@stfx.ca; mlavoie@stfx.ca NR 57 TC 11 Z9 11 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2013 VL 16 SU 1 BP S263 EP S275 DI 10.1016/j.ijggc.2013.02.024 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA V37XJ UT WOS:000209308200023 ER PT J AU Ryerson, FJ Lake, J Whittaker, S Johnson, JW AF Ryerson, F. J. Lake, John Whittaker, Steven Johnson, James W. TI Natural CO2 accumulations in the western Williston Basin: A mineralogical analog for CO2 injection at the Weyburn site SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Water-rock interaction; Natural carbon dioxide accumulations; Supercritical carbon dioxide; Natural analog; Geologic carbon sequestration; Weyburn carbon dioxide injection AB The Devonian carbonates of the Duperow Formation on the western flank of the Williston Basin in southwest Saskatchewan contain natural accumulations of CO2, and may have done so for as long as 50 million years. These carbonate sediments are characterized by a succession of carbonate cycles capped by anhydrite-rich evaporites that are thought to act as seals to fluid migration. The Weyburn CO2 injection site lies 400 km to the east in a series of Mississippian carbonates that were deposited in a similar depositional environment. That long-term isolation of natural CO2 can be accomplished within carbonate strata has motivated the investigation of the Duperow rocks as a potential natural analog for storage of anthropogenic CO2 in carbonate lithologies. For the Duperow strata to represent a legitimate analog for Midale injection and storage, the similarity in lithofacies, whole rock compositions, mineral compositions and porosity with the Midale Beds must be established. Here we compare lithofacies, whole rock compositions, mineralogy and mineral compositions from both locales. The major mineral phases at both locales are calcite, dolomite and anhydrite. In addition, accessory pyrite, fluorite, quartz and celestine (strontium sulfate) are also observed. Dawsonite, a potential CO2-trapping mineral, is not observed within the CO2-bearing horizons of the Duperow Formation, however. The distribution of porosity in the Midale Vuggy units is similar to that of the Duperow Formation, but the Marly units of the Midale have significantly higher porosity. The Duperow Formation is topped by the Dinesmore evaporite that is rich in anhydrite, and often contains authigenic K-feldspar. The chemistry of dolomite and calcite from the two localities also overlaps. Silicate minerals are in low abundance (<3%) within the analyzed Duperow samples, with quartz and K-feldspar the only silicates observed petrographically or in X-ray diffraction patterns. The Midale Beds contain significantly higher silica/silicate concentrations (Durocher et al., 2003), but the paucity of mono-and divalent cations that can be derived from dissolution of these silicate minerals likely precludes significant carbonate mineral formation. Hence, physical and solution trapping are likely to be the primary CO2 trapping mechanisms at both sites. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Ryerson, F. J.; Johnson, James W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Whittaker, Steven] Petr Technol Res Ctr, Regina, SK S4S 7J7, Canada. [Whittaker, Steven] Global CCS Inst, Canberra, ACT 2601, Australia. [Johnson, James W.] Schlumberger Doll Res Ctr, Cambridge, MA 02139 USA. RP Ryerson, FJ (reprint author), Lawrence Livermore Natl Lab, L-231, Livermore, CA 94550 USA. EM ryerson1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Thomas Vogel (XRF, Michigan State); Paul Carpenter (XRD, Washington University); Petroleum Technology Research Centre FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The authors are grateful for analytical support from Thomas Vogel (XRF, Michigan State) and Paul Carpenter (XRD, Washington University) and to Erik Nickel for providing porosity data for the Duperow Formation. This work was supported by the Petroleum Technology Research Centre. This LLNL Report LLNL-JRNL-576092. NR 28 TC 2 Z9 2 U1 2 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD JUN PY 2013 VL 16 SU 1 BP S25 EP S34 DI 10.1016/j.ijggc.2012.12.015 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA V37XJ UT WOS:000209308200004 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Treberer-treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Kalogeropoulos, A Keaveney, J Maes, M Olbrechts, A Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Clerbaux, B De Lentdecker, G Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Reis, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Dildick, S Garcia, G Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Bruno, G Castello, R Caudron, A Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Selvaggi, M Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Alda , WL Carvalho, W Chinellato, J Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santoro, A Jorge, LS Sznajder, A Manganote, EJT Pereira, AV Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, F Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Asawatangtrakuldee, C Ban, Y Guo, Y Li, Q Li, W Liu, S Mao, Y Qian, SJ Wang, D Zhang, L Zou, W Avila, C Montoya, CAC Gomez, JP Moreno, BG Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Assran, Y Kamel, AE Mahmoud, MA Mahrous, A Radi, A Kadastik, M Muntel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, 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CA CMS Collaboration TI Observation of a new boson with mass near 125 GeV in pp collisions at root s=7 and 8 TeV SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Hadron-Hadron Scattering ID MODEL HIGGS-BOSON; STANDARD MODEL; HADRON COLLIDERS; QCD CORRECTIONS; ELECTROWEAK CORRECTIONS; PARTON DISTRIBUTIONS; BROKEN SYMMETRIES; WEAK INTERACTIONS; CROSS-SECTIONS; GAUGE-THEORIES AB A detailed description is reported of the analysis used by the CMS Collaboration in the search for the standard model Higgs boson in pp collisions at the LHC, which led to the observation of a new boson. The data sample corresponds to integrated luminosities up to 5.1 fb(-1) at root s = 7 TeV, and up to 5.3 fb(-1) at root s = 8 TeV. The results for five Higgs boson decay modes gamma gamma, ZZ, WW, tau tau, and bb, which show a combined local significance of 5 standard deviations near 125 GeV, are reviewed. A fit to the invariant mass of the two high resolution channels, gamma gamma and ZZ -> 4l, gives a mass estimate of 125.3 +/- 0.4 (stat.) +/- 0.5 (syst.) GeV. The measurements are interpreted in the context of the standard model Lagrangian for the scalar Higgs field interacting with fermions and vector bosons. The measured values of the corresponding couplings are compared to the standard model predictions. The hypothesis of custodial symmetry is tested through the measurement of the ratio of the couplings to the W and Z bosons. All the results are consistent, within their uncertainties, with the expectations for a standard model Higgs boson. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. 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A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [De Guio, F.; Di Matteo, L.; Fiorendi, S.; Ghezzi, A.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [De Cosa, A.; Dogangun, O.; Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Dosselli, U.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Nespolo, M.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Triossi, A.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento Trento, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Pioppi, M.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Pioppi, M.] Univ Perugia, I-06100 Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; D'Agnolo, R. T.; Fiori, F.; Foa, L.; Ligabue, F.; Vernieri, C.; Rolandi, G.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Fanelli, C.; Grassi, M.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Soffi, L.; Rovelli, C.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Fanelli, C.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Casasso, S.; Costa, M.; Migliore, E.; Monaco, V.; Ortona, G.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Oh, Y. D.; Park, H.; Son, D. C.; Kamon, T.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, K. S.; Moon, D. H.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Grigelionis, I.; Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Bell, A. J.; Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Wolszczak, W.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Ferreira Parracho, P. C.; Gallinaro, M.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Tsamalaidze, Z.; Bunin, P.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Evstyukhin, S.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Popov, A.; Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Pens, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Navarro De Martino, E.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Piedra Gomez, J.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Jorda, C.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Rabady, D.; Genchev, V.; Iaydjiev, P.; Chierici, R.; Lingemann, J.; Guthoff, M.; Hartmann, F.; Hauth, T.; Kornmayer, A.; Sharma, A.; Mohanty, A. K.; Calabria, C.; De Filippis, N.; Meneghei, M.; De Cosa, A.; Meola, S.; Paolucci, P.; Bacchetta, N.; D'Agnolo, R. T.; Fiori, F.; Grassi, M.; Meridiani, P.; Mariotti, C.; Musich, M.; Marone, M.; Seixas, J.; Chamizo Llatas, M.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bendavid, J.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; Colafranceschi, S.; d'Enterria, D.; Dabrowski, A.; De Roeck, A.; De Visscher, S.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Hartl, C.; Hegner, B.; Hinzmann, A.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lee, Y. -J.; Lourenco, C.; Magini, N.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mulders, M.; Musella, P.; Nesvold, E.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rovelli, C.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Stoye, M.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Mohr, N.; Moortgat, F.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, H. A.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; Favaro, C.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Taroni, S.; Tupputi, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Phys & Technol Inst, Natl Sci Ctr, UA-310108 Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Worm, S. D.; Newbold, D. M.; Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Bhattacharya, S.; Alimena, J.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Mall, O.; Miceli, T.; Nelson, R.; Pellett, D.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Weber, M.; Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Traczyk, P.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Liu, H.; Babb, J.; Clare, R.; Dinardo, M. E.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Kalavase, P.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Villalba, R. Magana; Mccoll, N.; Pavlunin, V.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gutsche, O.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kunori, S.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Remington, R.; Rinkevicius, A.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Lacroix, F.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Griffiths, S.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Ogul, H.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Hu, G.; Maksimovic, P.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Peterman, A.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Ma, Y.; Apyan, A.; Bauer, G.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Kim, Y.; Klute, M.; Lai, Y. S.; Levin, A.; Luckey, P. D.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Haupt, J.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Eads, M.; Suarez, R. Gonzalez; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. 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Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Guragain, S.; Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Li, W.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Petrillo, G.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Malik, S.; Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Rose, K.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. 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vilar, rocio/P-8480-2014; Ligabue, Franco/F-3432-2014; da Cruz e Silva, Cristovao/K-7229-2013; Zhukov, Valery/K-3615-2013; Yang, Yong/D-9724-2017; VARDARLI, Fuat Ilkehan/B-6360-2013; Goh, Junghwan/Q-3720-2016; Dogangun, Oktay/L-9252-2013; Wimpenny, Stephen/K-8848-2013; Yazgan, Efe/C-4521-2014; Govoni, Pietro/K-9619-2016; Dahms, Torsten/A-8453-2015; Rovelli, Tiziano/K-4432-2015; Tuominen, Eija/A-5288-2017; Gerbaudo, Davide/J-4536-2012; Manganote, Edmilson/K-8251-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017 OI Arce, Pedro/0000-0003-3009-0484; Flix, Josep/0000-0003-2688-8047; Ozdemir, Kadri/0000-0002-0103-1488; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Seixas, Joao/0000-0002-7531-0842; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Haj Ahmad, Wael/0000-0003-1491-0446; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Matorras, Francisco/0000-0003-4295-5668; My, Salvatore/0000-0002-9938-2680; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Belyaev, Alexander/0000-0002-1733-4408; Trocsanyi, Zoltan/0000-0002-2129-1279; Konecki, Marcin/0000-0001-9482-4841; Hernandez Calama, Jose Maria/0000-0001-6436-7547; Bedoya, Cristina/0000-0001-8057-9152; Russ, James/0000-0001-9856-9155; Calvo Alamillo, Enrique/0000-0002-1100-2963; Cerrada, Marcos/0000-0003-0112-1691; Stahl, Achim/0000-0002-8369-7506; Dudko, Lev/0000-0002-4462-3192; Hektor, Andi/0000-0001-7873-8118; Grandi, Claudio/0000-0001-5998-3070; Azzi, Patrizia/0000-0002-3129-828X; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Marinho, Franciole/0000-0002-7327-0349; Ferguson, Thomas/0000-0001-5822-3731; Ragazzi, Stefano/0000-0001-8219-2074; Benussi, Luigi/0000-0002-2363-8889; Ivanov, Andrew/0000-0002-9270-5643; Hill, Christopher/0000-0003-0059-0779; Troitsky, Sergey/0000-0001-6917-6600; Codispoti, Giuseppe/0000-0003-0217-7021; de Jesus Damiao, Dilson/0000-0002-3769-1680; Montanari, Alessandro/0000-0003-2748-6373; Amapane, Nicola/0000-0001-9449-2509; Della Ricca, Giuseppe/0000-0003-2831-6982; Mundim, Luiz/0000-0001-9964-7805; Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Tomei, Thiago/0000-0002-1809-5226; Focardi, Ettore/0000-0002-3763-5267; Novaes, Sergio/0000-0003-0471-8549; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Katkov, Igor/0000-0003-3064-0466; Krammer, Manfred/0000-0003-2257-7751; Tinoco Mendes, Andre David/0000-0001-5854-7699; Heath, Helen/0000-0001-6576-9740; Ruiz, Alberto/0000-0002-3639-0368; Dubinin, Mikhail/0000-0002-7766-7175; Ligabue, Franco/0000-0002-1549-7107; Goh, Junghwan/0000-0002-1129-2083; Dogangun, Oktay/0000-0002-1255-2211; Wimpenny, Stephen/0000-0003-0505-4908; Yazgan, Efe/0000-0001-5732-7950; Govoni, Pietro/0000-0002-0227-1301; Dahms, Torsten/0000-0003-4274-5476; Rovelli, Tiziano/0000-0002-9746-4842; Tuominen, Eija/0000-0002-7073-7767; Gerbaudo, Davide/0000-0002-4463-0878; FU Austrian Federal Ministry of Science and Research; Austrian Science Fund; Belgian Fonds de la Recherche Scientifique; Fonds voor Wetenschappelijk Onderzoek; CNPq; CAPES; FAPERJ; FAPESP; Bulgarian Ministry of Education, Youth and Science; CERN; Chinese Academy of Sciences, Ministry of Science and Technology; National Natural Science Foundation of China; Colombian Funding Agency (COLCIENCIAS); Croatian Ministry of Science, Education and Sport; Research Promotion Foundation, Cyprus; Ministry of Education and Research [SF0690030s09]; European Regional Development Fund, Estonia; Academy of Finland; Finnish Ministry of Education and Culture; Helsinki Institute of Physics; Institut National de Physique Nucleaire et de Physique des Particules / CNRS; Commissariat a l'Energie Atomique et aux Energies Alternatives / CEA, France; Bundesministerium fur Bildung und Forschung; Deutsche Forschungsgemeinschaft; Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; General Secretariat for Research and Technology, Greece; National Scientific Research Foundation; National Office for Research and Technology, Hungary; Department of Atomic Energy and the Department of Science and Technology, India; Institute for Studies in Theoretical Physics and Mathematics, Iran; Science Foundation, Ireland; Istituto Nazionale di Fisica Nucleare, Italy; Korean Ministry of Education, Science and Technology; World Class University program of NRF, Republic of Korea; Lithuanian Academy of Sciences; CINVESTAV; CONACYT; SEP; UASLP-FAI; Ministry of Science and Innovation, New Zealand; Pakistan Atomic Energy Commission; Ministry of Science and Higher Education; National Science Centre, Poland; Fundacao para a Ciencia e a Tecnologia, Portugal; JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); Ministry of Education and Science of the Russian Federation; Federal Agency of Atomic Energy of the Russian Federation; Russian Academy of Sciences; Russian Foundation for Basic Research; Ministry of Science and Technological Development of Serbia; Secretaria de Estado de Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio, Spain; ETH Board; ETH Zurich; PSI; SNF; UniZH; Canton Zurich; SER; National Science Council, Taipei; Thailand Center of Excellence in Physics; Institute for the Promotion of Teaching Science and Technology of Thailand; National Science and Technology Development Agency of Thailand; Scientific and Technical Research Council of Turkey; Turkish Atomic Energy Authority; Science and Technology Facilities Council, U.K.; US Department of Energy; US National Science Foundation; Marie-Curie programme; European Research Council; EPLANET (European Union); Leventis Foundation; A. P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of Education, Youth and Sports (MEYS) of Czech Republic; Council of Science and Industrial Research, India; Compagnia di San Paolo (Torino); HOMING PLUS programme of Foundation for Polish Science; European Union, Regional Development Fund FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centres and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: the Austrian Federal Ministry of Science and Research and the Austrian Science Fund; the Belgian Fonds de la Recherche Scientifique, and Fonds voor Wetenschappelijk Onderzoek; the Brazilian Funding Agencies (CNPq, CAPES, FAPERJ, and FAPESP); the Bulgarian Ministry of Education, Youth and Science; CERN; the Chinese Academy of Sciences, Ministry of Science and Technology, and National Natural Science Foundation of China; the Colombian Funding Agency (COLCIENCIAS); the Croatian Ministry of Science, Education and Sport; the Research Promotion Foundation, Cyprus; the Ministry of Education and Research, Recurrent financing contract SF0690030s09 and European Regional Development Fund, Estonia; the Academy of Finland, Finnish Ministry of Education and Culture, and Helsinki Institute of Physics; the Institut National de Physique Nucleaire et de Physique des Particules / CNRS, and Commissariat a l'Energie Atomique et aux Energies Alternatives / CEA, France; the Bundesministerium fur Bildung und Forschung, Deutsche Forschungsgemeinschaft, and Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; the General Secretariat for Research and Technology, Greece; the National Scientific Research Foundation, and National Office for Research and Technology, Hungary; the Department of Atomic Energy and the Department of Science and Technology, India; the Institute for Studies in Theoretical Physics and Mathematics, Iran; the Science Foundation, Ireland; the Istituto Nazionale di Fisica Nucleare, Italy; the Korean Ministry of Education, Science and Technology and the World Class University program of NRF, Republic of Korea; the Lithuanian Academy of Sciences; the Mexican Funding Agencies (CINVESTAV, CONACYT, SEP, and UASLP-FAI); the Ministry of Science and Innovation, New Zealand; the Pakistan Atomic Energy Commission; the Ministry of Science and Higher Education and the National Science Centre, Poland; the Fundacao para a Ciencia e a Tecnologia, Portugal; JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); the Ministry of Education and Science of the Russian Federation, the Federal Agency of Atomic Energy of the Russian Federation, Russian Academy of Sciences, and the Russian Foundation for Basic Research; the Ministry of Science and Technological Development of Serbia; the Secretaria de Estado de Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio 2010, Spain; the Swiss Funding Agencies (ETH Board, ETH Zurich, PSI, SNF, UniZH, Canton Zurich, and SER); the National Science Council, Taipei; the Thailand Center of Excellence in Physics, the Institute for the Promotion of Teaching Science and Technology of Thailand and the National Science and Technology Development Agency of Thailand; the Scientific and Technical Research Council of Turkey, and Turkish Atomic Energy Authority; the Science and Technology Facilities Council, U.K.; the US Department of Energy, and the US National Science Foundation.; Individuals have received support from the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A. P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); and the HOMING PLUS programme of Foundation for Polish Science, cofinanced from European Union, Regional Development Fund. NR 161 TC 156 Z9 157 U1 5 U2 91 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUN PY 2013 IS 6 AR 081 DI 10.1007/JHEP06(2013)081 PG 127 WC Physics, Particles & Fields SC Physics GA 177NL UT WOS:000321381800027 PM 22243304 ER PT J AU Lipinski, W Davidson, JH Haussener, S Klausner, JF Mehdizadeh, AM Petrasch, J Steinfeld, A Venstrom, L AF Lipinski, W. Davidson, J. H. Haussener, S. Klausner, J. F. Mehdizadeh, A. M. Petrasch, J. Steinfeld, A. Venstrom, L. TI Review of Heat Transfer Research for Solar Thermochemical Applications SO JOURNAL OF THERMAL SCIENCE AND ENGINEERING APPLICATIONS LA English DT Review DE heat transfer; solar thermochemistry; solar reactor; reacting media; modeling; experimental AB This article reviews the progress, challenges and opportunities in heat transfer research as applied to high-temperature thermochemical systems that use high-flux solar irradiation as the source of process heat. Selected pertinent areas such as radiative spectroscopy and tomography-based heat and mass characterization of heterogeneous media, kinetics of high-temperature heterogeneous reactions, heat and mass transfer modeling of solar thermochemical systems, and thermal measurements in high-temperature systems are presented, with brief discussions of their methods and example results from selected applications. C1 [Lipinski, W.; Davidson, J. H.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Haussener, S.] Ecole Polytech Fed Lausanne, Inst Engn Mech, CH-1015 Lausanne, Switzerland. [Haussener, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Klausner, J. F.; Mehdizadeh, A. M.] Univ Florida, Dept Mech & Aerosp Engn, Gainesville, FL 32611 USA. [Petrasch, J.] Vorarlberg Univ Appl Sci, Energy Res Ctr, A-6850 Dornbirn, Austria. [Steinfeld, A.] Swiss Fed Inst Technol, Dept Mech & Proc Engn, CH-8092 Zurich, Switzerland. [Steinfeld, A.] Paul Scherrer Inst, Solar Technol Lab, CH-5232 Villigen, Switzerland. [Venstrom, L.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. RP Lipinski, W (reprint author), Univ Minnesota, Dept Mech Engn, 111 Church St SE, Minneapolis, MN 55455 USA. EM lipinski@umn.edu RI Steinfeld, Aldo/B-8869-2008 OI Steinfeld, Aldo/0000-0001-7797-686X NR 138 TC 11 Z9 11 U1 1 U2 9 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1948-5085 EI 1948-5093 J9 J THERM SCI ENG APPL JI J. Therm. Sci. Eng. Appl. PD JUN PY 2013 VL 5 IS 2 AR 021005 DI 10.1115/1.4024088 PG 14 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA V40YU UT WOS:000209514700007 ER PT J AU Stekli, J Irwin, L Pitchumani, R AF Stekli, Joseph Irwin, Levi Pitchumani, Ranga TI Technical Challenges and Opportunities for Concentrating Solar Power With Thermal Energy Storage SO JOURNAL OF THERMAL SCIENCE AND ENGINEERING APPLICATIONS LA English DT Article ID LATENT-HEAT STORAGE; PHASE-CHANGE MATERIALS; MOLTEN-SALT THERMOCLINE; STAINLESS-STEEL; EXERGY ANALYSIS; CORROSION-RESISTANCE; WEAR MECHANISMS; CARBON-STEEL; SYSTEM; TEMPERATURE AB Concentrating solar power (CSP) provides the ability to incorporate simple, efficient, and cost-effective thermal energy storage (TES) by virtue of converting sunlight to heat as an intermediate step to generating electricity. Thermal energy storage for use in CSP systems can be one of sensible heat storage, latent heat storage using phase change materials (PCMs) or thermochemical storage. Commercially deployed CSP TES systems have been achieved in recent years, with two-tank TES using molten salt as a storage medium and steam accumulators being the system configurations deployed to date. Sensible energy thermocline systems and PCM systems have been deployed on a pilot-scale level and considerable research effort continues to be funded, by the United States Department of Energy (DOE) and others, in developing TES systems utilizing any one of the three categories of TES. This paper discusses technoeconomic challenges associated with the various TES technologies and opportunities for advancing the scientific knowledge relating to the critical questions still remaining for each technology. C1 [Stekli, Joseph; Pitchumani, Ranga] US DOE, Washington, DC 20585 USA. [Irwin, Levi] ManTech Int Corp, Arlington, VA 22203 USA. RP Stekli, J (reprint author), US DOE, 1000 Independence Ave SW, Washington, DC 20585 USA. NR 137 TC 19 Z9 19 U1 0 U2 3 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1948-5085 EI 1948-5093 J9 J THERM SCI ENG APPL JI J. Therm. Sci. Eng. Appl. PD JUN PY 2013 VL 5 IS 2 AR 021011 DI 10.1115/1.4024143 PG 12 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA V40YU UT WOS:000209514700013 ER PT J AU Riznic, J Schultz, R AF Riznic, J. Schultz, R. TI New Monographs Series on Nuclear Technology for the 21st Century SO MECHANICAL ENGINEERING LA English DT Editorial Material C1 [Schultz, R.] Idaho Natl Lab, Idaho Falls, ID USA. EM jovica.riznic@cnsc-ccsn.gc.ca; srr@srv.net NR 0 TC 0 Z9 0 U1 0 U2 0 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0025-6501 EI 1943-5649 J9 MECH ENG JI Mech. Eng. PD JUN PY 2013 VL 135 IS 6 BP 51 EP 51 PG 1 WC Engineering, Mechanical SC Engineering GA AQ0PH UT WOS:000342484700022 ER PT J AU Love, LJ Richardson, B Lind, R Dehoff, R Peter, B Lowe, L Blue, C AF Love, Lonnie J. Richardson, Bradley Lind, Randall Dehoff, Ryan Peter, Bill Lowe, Larry Blue, Craig TI FREEFORM FLUIDICS SO MECHANICAL ENGINEERING LA English DT Article C1 [Love, Lonnie J.; Richardson, Bradley; Lind, Randall; Dehoff, Ryan; Peter, Bill; Lowe, Larry; Blue, Craig] Oak Ridge Natl Lab, Automat Robot & Mfg Grp, Oak Ridge, TN 37831 USA. RP Love, LJ (reprint author), Oak Ridge Natl Lab, Automat Robot & Mfg Grp, POB 2008,MS 6305, Oak Ridge, TN 37831 USA. RI Dehoff, Ryan/I-6735-2016 OI Dehoff, Ryan/0000-0001-9456-9633 NR 0 TC 1 Z9 1 U1 2 U2 7 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0025-6501 EI 1943-5649 J9 MECH ENG JI Mech. Eng. PD JUN PY 2013 VL 135 IS 6 BP 75 EP 78 PG 4 WC Engineering, Mechanical SC Engineering GA AQ0PH UT WOS:000342484700032 ER PT J AU Thiagarajan, K Arakali, SR Mealey, KJ Cardonick, EH Gaughan, WJ Davison, JM Moritz, MJ Armenti, VT AF Thiagarajan, Kristina (Munoz-Flores) Arakali, Schweta R. Mealey, Kathleen J. Cardonick, Elyce H. Gaughan, William J. Davison, John M. Moritz, Michael J. Armenti, Vincent T. TI Safety considerations: breastfeeding after transplant SO PROGRESS IN TRANSPLANTATION LA English DT Article ID BIRTH-WEIGHT INFANTS; MYCOPHENOLATE-MOFETIL; HUMAN-MILK; KIDNEY-TRANSPLANTATION; FETAL MALFORMATIONS; PREGNANCY OUTCOMES; BIOACTIVE FACTORS; AZATHIOPRINE USE; PRETERM INFANTS; CYCLOSPORINE-A AB Organ transplant is an effective treatment for end-stage organ failure. For women, restoration of organ function can restore fertility and the ability to successfully carry a pregnancy. Posttransplant pregnancies have been reported among recipients of all types of solid organ transplants via case and center reports plus registry data. Stable graft function is dependent on prevention of rejection, currently accomplished by using maintenance immunosuppressant medications, to which the fetus is exposed in utero. Common among neonatal outcomes in transplant recipients are preterm and low-birth-weight infants. Emotional, nutritional, and immunologic benefits of breastfeeding have been well-documented and could be valuable for these newborns. Concern must be directed at the effects of the child's exposure to immunosuppressive agents excreted into the breast milk. Breastfeeding could be considered in transplant recipients if it can be shown that the level of exposure does not result in risks to the newborn, immediately and throughout childhood. Despite concerns of health care professionals, some recipients have chosen to breastfeed. Breastfeeding after transplant must be approached with consideration of many issues, and the potential risks require further study. This review focuses on benefits of breastfeeding, common immunosuppressive agents used in organ transplant recipients, a summary of the reports of women who have breastfed their infants while on immunosuppressive therapy and the published studies on breastfeeding and immunosuppressive agents. Recommendations are provided to guide health care professionals to help mothers receiving immunosuppressive agents to make informed choices about breastfeeding their infants. (C) 2013 NATCO, The Organization for Transplant Professionals C1 [Thiagarajan, Kristina (Munoz-Flores)] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Arakali, Schweta R.; Mealey, Kathleen J.] Thomas Jefferson Univ, Philadelphia, PA 19107 USA. [Cardonick, Elyce H.] Cooper Univ Hosp, Camden, NJ USA. [Gaughan, William J.] Albert Einstein Hosp, Philadelphia, PA USA. [Davison, John M.] Univ Newcastle, Inst Cellular Med, Callaghan, NSW 2308, Australia. [Moritz, Michael J.] Univ S Florida, Morsani Coll Med, Tampa, FL USA. [Armenti, Vincent T.] Gift Life Inst, Philadelphia, PA 19123 USA. RP Armenti, VT (reprint author), Gift Life Inst, Natl Transplantat Pregnancy Registry, 401 N 3rd St, Philadelphia, PA 19123 USA. EM ntpr@giftoflifeinstitute.org FU Novartis Pharmaceuticals Corp; Astellas Pharma US, Inc; Genentech, Inc; Pfizer Inc; Teva Pharmaceuticals; Sandoz Inc; Bristol-Myers Squibb Company; NIH [1KO1 NR08227-01A1 NINR/NIH] FX The NTPR has been supported by grants from Novartis Pharmaceuticals Corp, Astellas Pharma US, Inc, Genentech, Inc, Pfizer Inc, Teva Pharmaceuticals, Sandoz Inc, and Bristol-Myers Squibb Company. Dr Thiagarajan has received the following NIH grant: 1KO1 NR08227-01A1 NINR/NIH. NR 78 TC 10 Z9 11 U1 1 U2 2 PU INNOVISION COMMUNICATIONS PI ALISO VIEJO PA 101 COLUMBIA, ALISO VIEJO, CA 92656 USA SN 1526-9248 J9 PROG TRANSPLANT JI Prog. Transplant. PD JUN PY 2013 VL 23 IS 2 BP 137 EP 146 DI 10.7182/pit2013803 PG 10 WC Surgery; Transplantation SC Surgery; Transplantation GA AT5KZ UT WOS:000344983300006 PM 23782661 ER PT J AU Balash, P Nichols, C Victor, N AF Balash, Peter Nichols, Christopher Victor, Nadejda TI Multi-regional evaluation of the US electricity sector under technology and policy uncertainties: Findings from MARKAL EPA9rUS modeling SO SOCIO-ECONOMIC PLANNING SCIENCES LA English DT Article DE MARKAL; Multi-regional model; EPAUS9r database; Electricity; Clean Energy Standards; Carbon emission; Marginal abatement cost AB The concern of the environmental impacts of electricity generation from fossil fuels and the desire for the country to be less dependent on fossil fuels have resulted in the U.S. Government offering various incentives to promote electricity from renewable sources. The U.S. electricity generation sector faces uncertainties that include future demand, the costs of supply, and the effects of regulation policies. National policies that aim to promote "clean" energy sources may have different impacts for different areas of the country, so it is important to understand the regional effects in addition to the larger national picture. The primary purpose of this paper is to shed some light on the uncertainties associated with the outcomes of possible regulations. The study does not intend to make predictions of the probability or direction of environmental policy in the U.S. Rather, we examine a number of different scenarios and explore their possible impacts on the future of energy system. We focus on future projections for electricity generation mix, electricity costs, emissions and emissions abatement costs under different scenarios. We have examined the key regulations through analyzing various assumptions using the MARKet ALlocation (MARKAL) model and the Environmental Protection Agency's Nine Region MARKAL Database (EPAUS9r). We have analyzed how command-and-control regulations and market-based environmental policy approaches could change the mix of fuels used for electricity generation, the amount of CO2 emissions, and the cost of electricity in different parts of the U.S. In particular, we explore how some proposed features of different policies designs affect those outcomes and identify underlying causes of uncertainty about such outcomes. The analyzed policies lead to 6-25% reduction in total CO2 emissions by 2035. The policies also result in modest increases on electricity costs nationally, but this masks a wide variety of effects across regions. The relationship between the policy's effects on costs depends on the design of the policy, regional resource endowments, and the existing generation mix of the region. Generally, the regions with existing high electricity marginal costs would tend to see only minor costs increases and the regions with low electricity marginal costs would see substantial costs increases. Modeling results illustrate that different regions have different preferences in environmental regulations policies and design. Published by Elsevier Ltd. C1 [Balash, Peter; Nichols, Christopher] US DOE, Off Strateg Energy Anal & Planning, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Victor, Nadejda] Booz Allen Hamilton, Pittsburgh, PA 15236 USA. RP Nichols, C (reprint author), US DOE, Off Strateg Energy Anal & Planning, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM christopher.nichols@netl.doe.gov NR 60 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0038-0121 J9 SOCIO-ECON PLAN SCI JI Socio-Econ. Plan. Sci. PD JUN PY 2013 VL 47 IS 2 BP 89 EP 119 DI 10.1016/j.seps.2012.08.002 PG 31 WC Economics; Management; Operations Research & Management Science SC Business & Economics; Operations Research & Management Science GA V41GR UT WOS:000209535200003 ER PT J AU McBride, J Zhao, XP Munro, N Smith, C Jicha, G Jiang, Y AF McBride, Joseph Zhao, Xiaopeng Munro, Nancy Smith, Charles Jicha, Gregory Jiang, Yang TI Resting EEG Discrimination of Early Stage Alzheimer's Disease from Normal Aging Using Inter-Channel Coherence Network Graphs SO ANNALS OF BIOMEDICAL ENGINEERING LA English DT Article DE EEG-based diagnosis; Early Alzheimer's disease; Mild cognitive impairment; Coherence; Graphical analysis ID MILD COGNITIVE IMPAIRMENT; COMPLEX BRAIN NETWORKS; SPECTRAL-ANALYSIS; THEORETICAL ANALYSIS; ORGANIZATION; DEMENTIA AB Amnestic mild cognitive impairment (MCI) is a degenerative neurological disorder at the early stage of Alzheimer's disease (AD). This work is a pilot study aimed at developing a simple scalp-EEG-based method for screening and monitoring MCI and AD. Specifically, the use of graphical analysis of inter-channel coherence of resting EEG for the detection of MCI and AD at early stages is explored. Resting EEG records from 48 age-matched subjects (mean age 75.7 years)-15 normal controls (NC), 16 with early-stage MCI, and 17 with early-stage AD-are examined. Network graphs are constructed using pairwise inter-channel coherence measures for delta-theta, alpha, beta, and gamma band frequencies. Network features are computed and used in a support vector machine model to discriminate among the three groups. Leave-one-out cross-validation discrimination accuracies of 93.6% for MCI vs. NC (p < 0.0003), 93.8% for AD vs. NC (p < 0.0003), and 97.0% for MCI vs. AD (p < 0.0003) are achieved. These results suggest the potential for graphical analysis of resting EEG inter-channel coherence as an efficacious method for noninvasive screening for MCI and early AD. C1 [McBride, Joseph; Zhao, Xiaopeng] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Zhao, Xiaopeng] Univ Tennessee, Natl Inst Math & Biol Synth, Knoxville, TN 37996 USA. [Munro, Nancy] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Smith, Charles; Jicha, Gregory] Univ Kentucky, Dept Neurol, Lexington, KY 40536 USA. [Jiang, Yang] Univ Kentucky, Dept Behav Sci, Lexington, KY 40536 USA. [Smith, Charles; Jicha, Gregory; Jiang, Yang] Univ Kentucky, Sanders Brown Ctr Aging, Lexington, KY 40536 USA. RP Zhao, XP (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. EM xzhao9@utk.edu RI Zhao, Xiaopeng/A-4419-2008 OI Zhao, Xiaopeng/0000-0003-1207-5379 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; NSF [CMMI-0845753]; DOE [OR-22725]; NIH [AG000986, NCRRUL1RR033173, P30AG028383] FX We thank A. Lawson, J. Howe, E. Walsh, J. Lianekhammy, S. Kaiser, C. Black, K. Tran, and L. Broster at UK for their assistance in data acquisition and database management. Research was sponsored in part by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy, and in part by the NSF under grant number CMMI-0845753; DOE OR-22725 to NM, NIH AG000986 to YJ, NCRRUL1RR033173 to UK CTS, P30AG028383 to UK Sanders-Brown Center on Aging. NR 26 TC 16 Z9 16 U1 1 U2 30 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0090-6964 J9 ANN BIOMED ENG JI Ann. Biomed. Eng. PD JUN PY 2013 VL 41 IS 6 BP 1233 EP 1242 DI 10.1007/s10439-013-0788-4 PG 10 WC Engineering, Biomedical SC Engineering GA 135OE UT WOS:000318297000013 PM 23483374 ER PT J AU Field, EK Gerlach, R Viamajala, S Jennings, LK Peyton, BM Apel, WA AF Field, Erin K. Gerlach, Robin Viamajala, Sridhar Jennings, Laura K. Peyton, Brent M. Apel, William A. TI Hexavalent chromium reduction by Cellulomonas sp strain ES6: the influence of carbon source, iron minerals, and electron shuttling compounds SO BIODEGRADATION LA English DT Article DE Bioremediation; Heavy metal; Humics; Electron shuttle; Radionuclide; Biotic and abiotic reduction ID SITU CR(VI) REDUCTION; HYDROUS FERRIC-OXIDE; MICROBIAL REDUCTION; CHROMATE REDUCTION; DISSIMILATORY REDUCTION; REDUCING BACTERIA; FE(III) REDUCTION; SEDIMENTS; SOILS; U(VI) AB The reduction of hexavalent chromium, Cr(VI), to trivalent chromium, Cr(III), can be an important aspect of remediation processes at contaminated sites. Cellulomonas species are found at several Cr(VI) contaminated and uncontaminated locations at the Department of Energy site in Hanford, Washington. Members of this genus have demonstrated the ability to effectively reduce Cr(VI) to Cr(III) fermentatively and therefore play a potential role in Cr(VI) remediation at this site. Batch studies were conducted with Cellulomonas sp. strain ES6 to assess the influence of various carbon sources, iron minerals, and electron shuttling compounds on Cr(VI) reduction rates as these chemical species are likely to be present in, or added to, the environment during in situ bioremediation. Results indicated that the type of carbon source as well as the type of electron shuttle present influenced Cr(VI) reduction rates. Molasses stimulated Cr(VI) reduction more effectively than pure sucrose, presumably due to presence of more easily utilizable sugars, electron shuttling compounds or compounds with direct Cr(VI) reduction capabilities. Cr(VI) reduction rates increased with increasing concentration of anthraquinone-2,6-disulfonate (AQDS) regardless of the carbon source. The presence of iron minerals and their concentrations did not significantly influence Cr(VI) reduction rates. However, strain ES6 or AQDS could directly reduce surface-associated Fe(III) to Fe(II), which was capable of reducing Cr(VI) at a near instantaneous rate. These results suggest the rate limiting step in these systems was the transfer of electrons from strain ES6 to the intermediate or terminal electron acceptor whether that was Cr(VI), Fe(III), or AQDS. C1 [Field, Erin K.] Montana State Univ, Dept Microbiol, Bozeman, MT 59717 USA. [Field, Erin K.; Gerlach, Robin; Jennings, Laura K.; Peyton, Brent M.] Montana State Univ, Ctr Biofilm Engn, Bozeman, MT 59717 USA. [Field, Erin K.] Bigelow Lab Ocean Sci, East Boothbay, ME 04544 USA. [Gerlach, Robin; Jennings, Laura K.; Peyton, Brent M.] Montana State Univ, Dept Chem & Biol Engn, Bozeman, MT 59717 USA. [Viamajala, Sridhar] Univ Toledo, Dept Chem & Environm Engn, Toledo, OH 43606 USA. [Apel, William A.] Idaho Natl Lab, Biol Syst Dept, Idaho Falls, ID 83415 USA. RP Gerlach, R (reprint author), Montana State Univ, Dept Chem & Biol Engn, 366 EPS Bldg, Bozeman, MT 59717 USA. EM robin_g@biofilm.montana.edu RI Peyton, Brent/G-5247-2015; Gerlach, Robin/A-9474-2012 OI Peyton, Brent/0000-0003-0033-0651; FU U.S. Department of Energy, Office of Science, Subsurface Biogeochemical Research Program [. DE-FG02-03ER63582]; DOE-NE Idaho Operations Office [DE-AC07-05ID14517]; Inland Northwest Research Alliance (INRA) [MSU 002]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Lindsey Hopper, Kristy Weaver, Nicholas Ballor and Crystal Russell for their various contributions in the laboratory. This research was supported by the U.S. Department of Energy, Office of Science, Subsurface Biogeochemical Research Program, under Grant Nos. DE-FG02-03ER63582 and DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. Partial financial support was provided by a grant from the Inland Northwest Research Alliance (INRA) under contract MSU 002. We thank Thomas Borch, Matthew Marcus (ALS) and Matthew Ginder-Vogel for their help with synchrotron-based analyses. 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 54 TC 13 Z9 13 U1 7 U2 85 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0923-9820 J9 BIODEGRADATION JI Biodegradation PD JUN PY 2013 VL 24 IS 3 BP 437 EP 450 DI 10.1007/s10532-012-9600-7 PG 14 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 135HA UT WOS:000318278000012 PM 23135488 ER PT J AU Huesemann, MH Van Wagenen, J Miller, T Chavis, A Hobbs, S Crowe, B AF Huesemann, M. H. Van Wagenen, J. Miller, T. Chavis, A. Hobbs, S. Crowe, B. TI A screening model to predict microalgae biomass growth in photobioreactors and raceway ponds SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE microalgae biofuels; Nannochloropsis salina; Chlorella sp; biomass growth model; biomass light absorption coefficient; specific growth rate as a function of light intensity; dark respiration; photobioreactor; raceway pond; LED lighting ID ALGAL REACTOR HISTAR; STEADY-STATE; PHOTOSYNTHETIC EFFICIENCY; CHLAMYDOMONAS-REINHARDTII; TUBULAR PHOTOBIOREACTORS; PHYTOPLANKTON GROWTH; MATHEMATICAL-MODEL; CHLORELLA-VULGARIS; PHOTON IRRADIANCE; CHEMOSTAT CULTURE AB A microalgae biomass growth model was developed for screening novel strains for their potential to exhibit high biomass productivities under nutrient-replete conditions in photobioreactors or outdoor ponds. Growth is modeled by first estimating the light attenuation by biomass according to Beer-Lambert's Law, and then calculating the specific growth rate in discretized culture volume slices that receive declining light intensities due to attenuation. The model uses only two physical and two species-specific biological input parameters, all of which are relatively easy to determine: incident light intensity, culture depth, as well as the biomass light absorption coefficient and the specific growth rate as a function of light intensity. Roux bottle culture experiments were performed with Nannochloropsis salina at constant temperature (23 degrees C) at six different incident light intensities (10, 25, 50, 100, 250, and 850 mu mol/m2s) to determine both the specific growth rate under non-shading conditions and the biomass light absorption coefficient as a function of light intensity. The model was successful in predicting the biomass growth rate in these Roux bottle batch cultures during the light-limited linear phase at different incident light intensities. Model predictions were moderately sensitive to minor variations in the values of input parameters. The model was also successful in predicting the growth performance of Chlorella sp. cultured in LED-lighted 800L raceway ponds operated in batch mode at constant temperature (30 degrees C) and constant light intensity (1,650 mu mol/m2s). Measurements of oxygen concentrations as a function of time demonstrated that following exposure to darkness, it takes at least 5s for cells to initiate dark respiration. As a result, biomass loss due to dark respiration in the aphotic zone of a culture is unlikely to occur in highly mixed small-scale photobioreactors where cells move rapidly in and out of the light. By contrast, as supported also by the growth model, biomass loss due to dark respiration occurs in the dark zones of the relatively less well-mixed pond cultures. In addition to screening novel microalgae strains for high biomass productivities, the model can also be used for optimizing the pond design and operation. Additional research is needed to validate the biomass growth model for other microalgae species and for the more realistic case of fluctuating temperatures and light intensities observed in outdoor pond cultures. Biotechnol. Bioeng. 2013; 110: 15831594. (c) 2012 Wiley Periodicals, Inc. C1 [Huesemann, M. H.; Van Wagenen, J.; Miller, T.; Chavis, A.; Hobbs, S.; Crowe, B.] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. RP Huesemann, MH (reprint author), Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. EM michael.huesemann@pnnl.gov OI Hobbs, Samuel/0000-0002-4282-8813 FU US Department of Energy [DE-EE0003046]; U.S. DOE SULI program FX The authors would like to acknowledge funding of this work by the US Department of Energy under contract DE-EE0003046 awarded to the National Alliance for Advanced Biofuels and Bioproducts and support to Aaron Chavis, Sam Hobbs, and Tyler Miller via the U.S. DOE SULI program. The authors have declared no conflict of interest. NR 52 TC 31 Z9 32 U1 5 U2 152 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD JUN PY 2013 VL 110 IS 6 BP 1583 EP 1594 DI 10.1002/bit.24814 PG 12 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 132ZS UT WOS:000318107800005 PM 23280255 ER PT J AU Huang, XF Santhanam, N Badri, DV Hunter, WJ Manter, DK Decker, SR Vivanco, JM Reardon, KF AF Huang, Xing-Feng Santhanam, Navaneetha Badri, Dayakar V. Hunter, William J. Manter, Daniel K. Decker, Stephen R. Vivanco, Jorge M. Reardon, Kenneth F. TI Isolation and characterization of lignin-degrading bacteria from rainforest soils SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE lignin; laccase; cellulosic biofuel; bacteria ID AZOSPIRILLUM-LIPOFERUM; BIOFUELS PRODUCTION; CRYSTAL-STRUCTURE; LACCASE ACTIVITY; DEGRADATION; OXIDASE; PRETREATMENT; BIOMASS; FUNGI; IDENTIFICATION AB The deconstruction of lignin to enhance the release of fermentable sugars from plant cell walls presents a challenge for biofuels production from lignocellulosic biomass. The discovery of novel lignin-degrading enzymes from bacteria could provide advantages over fungal enzymes in terms of their production and relative ease of protein engineering. In this study, 140 bacterial strains isolated from soils of a biodiversity-rich rainforest in Peru were screened based on their oxidative activity on ABTS, a laccase substrate. Strain C6 (Bacillus pumilus) and strain B7 (Bacillus atrophaeus) were selected for their high laccase activity and identified by 16S rDNA analysis. Strains B7 and C6 degraded fragments of Kraft lignin and the lignin model dimer guaiacylglycerol--guaiacyl ether, the most abundant linkage in lignin. Finally, LCMS analysis of incubations of strains B7 and C6 with poplar biomass in rich and minimal media revealed that a higher number of compounds were released in the minimal medium than in the rich one. These findings provide important evidence that bacterial enzymes can degrade and/or modify lignin and contribute to the release of fermentable sugars from lignocellulose. Biotechnol. Bioeng. 2013; 110: 16161626. (c) 2013 Wiley Periodicals, Inc. C1 [Huang, Xing-Feng; Santhanam, Navaneetha; Reardon, Kenneth F.] Colorado State Univ, Dept Chem & Biol Engn, Ft Collins, CO 80523 USA. [Huang, Xing-Feng; Badri, Dayakar V.; Vivanco, Jorge M.] Colorado State Univ, Dept Hort & Landscape Architecture, Ft Collins, CO 80523 USA. [Hunter, William J.; Manter, Daniel K.] ARS, USDA, Soil Plant Nutrient Res Unit, Ft Collins, CO USA. [Decker, Stephen R.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. RP Vivanco, JM (reprint author), Colorado State Univ, Dept Hort & Landscape Architecture, Ft Collins, CO 80523 USA. EM j.vivanco@colostate.edu; kenneth.reardon@colostate.edu RI Reardon, Kenneth/A-1952-2016 OI Reardon, Kenneth/0000-0002-7753-4049 FU Colorado Center for Biorefining and Biofuels [09-10-PD]; National Renewable Energy Laboratory [XCO-0-40592-01]; Colorado State University FX Contract grant sponsor: Colorado Center for Biorefining and Biofuels; Contract grant number: 09-10-PD; Contract grant sponsor: National Renewable Energy Laboratory; Contract grant number: SC No XCO-0-40592-01; Contract grant sponsor: Donald Dick in the Central Instrument Facility at Colorado State University NR 40 TC 20 Z9 20 U1 4 U2 132 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD JUN PY 2013 VL 110 IS 6 BP 1616 EP 1626 DI 10.1002/bit.24833 PG 11 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 132ZS UT WOS:000318107800008 PM 23297115 ER PT J AU Lee, BY Singh, A David, MZ Bartsch, SM Slayton, RB Huang, SS Zimmer, SM Potter, MA Macal, CM Lauderdale, DS Miller, LG Daum, RS AF Lee, B. Y. Singh, A. David, M. Z. Bartsch, S. M. Slayton, R. B. Huang, S. S. Zimmer, S. M. Potter, M. A. Macal, C. M. Lauderdale, D. S. Miller, L. G. Daum, R. S. TI The economic burden of community-associated methicillin-resistant Staphylococcus aureus (CA-MRSA) SO CLINICAL MICROBIOLOGY AND INFECTION LA English DT Article DE CA-MRSA; community; cost; economics; MRSA ID SOFT-TISSUE INFECTIONS; EMERGENCY-DEPARTMENT; DISEASE; SKIN; EPIDEMIC; IMPACT; CHILDREN; ADULTS; COSTS; RISK AB Clin Microbiol Infect Abstract The economic impact of community-associated methicillin-resistant Staphylococcus aureus (CA-MRSA) remains unclear. We developed an economic simulation model to quantify the costs associated with CA-MRSA infection from the societal and third-party payer perspectives. A single CA-MRSA case costs third-party payers $2277$3200 and society $7070$20489, depending on patient age. In the United States (US), CA-MRSA imposes an annual burden of $478million to 2.2billion on third-party payers and $1.413.8billion on society, depending on the CA-MRSA definitions and incidences. The US jail system and Army may be experiencing annual total costs of $711million ($610million direct medical costs) and $1536million ($1432million direct costs), respectively. Hospitalization rates and mortality are important cost drivers. CA-MRSA confers a substantial economic burden on third-party payers and society, with CA-MRSA-attributable productivity losses being major contributors to the total societal economic burden. Although decreasing transmission and infection incidence would decrease costs, even if transmission were to continue at present levels, early identification and appropriate treatment of CA-MRSA infections before they progress could save considerable costs. C1 [Lee, B. Y.; Singh, A.; Bartsch, S. M.; Slayton, R. B.; Zimmer, S. M.; Potter, M. A.] Univ Pittsburgh, Pittsburgh, PA 15213 USA. [David, M. Z.; Lauderdale, D. S.; Daum, R. S.] Univ Chicago, Chicago, IL 60637 USA. [Huang, S. S.] Univ Calif Irvine, Irvine, CA USA. [Macal, C. M.] Argonne Natl Lab, Chicago, IL USA. [Miller, L. G.] Harbor UCLA Med Ctr, Los Angeles Biomed Res Ctr, Torrance, CA 90509 USA. RP Lee, BY (reprint author), Univ Pittsburgh, Publ Hlth Computat & Operat Res PHICOR, 200 Meyran Ave,Suite 200, Pittsburgh, PA 15213 USA. EM byl1@pitt.edu OI Slayton, Rachel/0000-0003-4699-8040 FU National Institute of General Medical Sciences Models of Infectious Disease Agent Study (MIDAS) [5U54GM088491-02, 5U01GM087729-03]; National Institute of Allergy and Infectious Diseases [1RC4AI092327-01] FX This study was supported by the National Institute of General Medical Sciences Models of Infectious Disease Agent Study (MIDAS) grants 5U54GM088491-02 and 5U01GM087729-03 and by the National Institute of Allergy and Infectious Diseases grant 1RC4AI092327-01. The funders had no role in the design and conduct of the study, collection, management, analysis and interpretation of the data, and preparation, review or approval of the manuscript. NR 34 TC 43 Z9 44 U1 1 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1198-743X J9 CLIN MICROBIOL INFEC JI Clin. Microbiol. Infect. PD JUN PY 2013 VL 19 IS 6 BP 528 EP 536 DI 10.1111/j.1469-0691.2012.03914.x PG 9 WC Infectious Diseases; Microbiology SC Infectious Diseases; Microbiology GA 133CB UT WOS:000318113900013 PM 22712729 ER PT J AU Arcangeli, J Cervantes, FA Lance, SL Salazar, MI Ortega, J AF Arcangeli, Jesica Cervantes, Fernando A. Lance, Stacey L. Isabel Salazar, Ma. Ortega, Jorge TI Twenty-four microsatellite markers for the gray mouse opossum (Tlacuatzin canescens): development from illumina paired-end sequences SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Illumina; PAL_FINDER; Microsatellites; Tlacuatzin canescens ID DIDELPHID MARSUPIALS AB Tlacuatzin canescens is an opossum species endemic to Mexico from southern Sonora to Oaxaca, with populations in Tres Marias Islands and in central Peninsula of Yucatan. A technique based on Illumina paired-end sequencing of a library highly enriched for microsatellite repeats was used to develop loci. Twenty-four polymorphic (tri- and tetranucleotide) microsatellites were developed and tested as markers in the target species. All markers were genotyped on 18 different individuals from distinct locations. We observed medium to low genetic variation across most loci (mean number of alleles per locus = 8). Levels of expected heterozygosity across all markers was fairly low (mean H-E = 0.477, mean H-O = 0.480). C1 [Arcangeli, Jesica; Cervantes, Fernando A.] Univ Nacl Autonoma Mexico, Inst Biol, Dept Zool, Mexico City 04510, DF, Mexico. [Arcangeli, Jesica] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29803 USA. [Isabel Salazar, Ma.] Inst Politecn Nacl, Lab Inmunol Celular & Inmunopatogenesis, Dept Inmunol, Escuela Nacl Ciencias Biol, Mexico City 11340, DF, Mexico. [Ortega, Jorge] Inst Politecn Nacl, Lab Ictiol & Limnol, Dept Zool, Escuela Nacl Ciencias Biol, Mexico City 11340, DF, Mexico. RP Ortega, J (reprint author), Inst Politecn Nacl, Lab Ictiol & Limnol, Dept Zool, Escuela Nacl Ciencias Biol, Prolongac Carpio & Plan de Ayala S-N, Mexico City 11340, DF, Mexico. EM artibeus2@aol.com RI Lance, Stacey/K-9203-2013; OI Lance, Stacey/0000-0003-2686-1733; Salazar, Ma Isabel/0000-0003-2490-8462 FU CONACyT Ciencia Basica [156725]; UNAM through grant PAPIIT [222206-2]; DOE [DE-FC09-07SR22506]; CONACyT [23059] FX Financial support was provided by CONACyT Ciencia Basica (156725). Some tissue samples were obtained from field work supported by UNAM through grant PAPIIT (222206-2). Jesica Arcangeli thanks Posgrado en Ciencias Biologicas, UNAM, and presets this paper as a requirement to obtain Ph.D. degree. Tissue samples/museum specimens were provided by C. Lopez-Gonzalez (CIDIIR-Durango), and C. Lorenzo (ECOSUR-SC-M). Manuscript preparation was partially supported by the DOE under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. Jesica Arcangeli is supported by a scholarship provided by CONACyT (23059) as a Ph.D. student in Posgrado en Ciencias Biologicas, UNAM. NR 10 TC 1 Z9 1 U1 0 U2 12 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1877-7252 EI 1877-7260 J9 CONSERV GENET RESOUR JI Conserv. Genet. Resour. PD JUN PY 2013 VL 5 IS 2 BP 367 EP 370 DI 10.1007/s12686-012-9805-4 PG 4 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA 135MU UT WOS:000318293100017 ER PT J AU Love, CN Hagen, C Horne, BD Jones, KL Lance, SL AF Love, Cara N. Hagen, Cris Horne, Brian D. Jones, Kenneth L. Lance, Stacey L. TI Development and characterization of thirty novel microsatellite markers for the critically endangered Myanmar Roofed Turtle, Batagur trivittata, and cross-amplification in the Painted River Terrapin, B. borneoensis, and the Southern River Terrapin, B. affinis, using paired-end Illumina shotgun sequencing SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Batagur; Illumina; Microsatellite; PAL_FINDER; PCR primers; SSR AB We isolated and characterized 30 microsatellite loci from the critically endangered Myanmar Roofed Turtle, Batagur trivittata. Loci were screened in 9 B. trivittata samples and in the congeners the Painted River Terrapin, Batagur borneoensis, with 22 of 30 amplifying, and the Southern River Terrapin, B. affinis, with 15 of 30 amplifying. In the B. trivittata samples, the number of alleles per locus ranged from 3 to 10 and the probability of identity values ranged from 0.031 to 0.354. These new loci will provide tools for captive management and reintroduction programs for B. trivittata and the other five species of Batagur, particularly B. affinis in Cambodia. C1 [Love, Cara N.; Hagen, Cris; Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Horne, Brian D.] Wildlife Conservat Soc, New York, NY 10460 USA. [Jones, Kenneth L.] Univ Colorado, Sch Med, Dept Biochem & Mol Genet, Denver, CO 80045 USA. RP Lance, SL (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM lance@srel.edu RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU DOE [DE-FC09-07SR22506]; Wildlife Reserves Singapore FX Manuscript preparation was partially supported by the DOE under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. Additional funding support was provided by Wildlife Reserves Singapore. We thank William P. McCord, Bill Ninesling, and Bradley Schaffer for helping to collect and provide tissue samples. NR 5 TC 1 Z9 1 U1 0 U2 12 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1877-7252 J9 CONSERV GENET RESOUR JI Conserv. Genet. Resour. PD JUN PY 2013 VL 5 IS 2 BP 383 EP 387 DI 10.1007/s12686-012-9809-0 PG 5 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA 135MU UT WOS:000318293100021 ER PT J AU Abarham, M Zamankhan, P Hoard, JW Styles, D Sluder, CS Storey, JME Lance, MJ Assanis, D AF Abarham, Mehdi Zamankhan, Parsa Hoard, John W. Styles, Dan Sluder, C. Scott Storey, John M. E. Lance, Michael J. Assanis, Dennis TI CFD analysis of particle transport in axi-symmetric tube flows under the influence of thermophoretic force SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Particle-laden flow; Axi-symmetric; Thermophoresis; Dynamic mesh; CFD ID BOUNDARY-LAYER; AEROSOL-PARTICLES; THERMAL FORCE; TURBULENT STREAM; ROUGH SURFACES; POROUS BED; PIPE-FLOW; DEPOSITION; LAMINAR; GAS AB In this study, we developed two frameworks to investigate the thermophoretic particulate deposition in non-isothermal tube flows conveying particles ranging from 10 to 300 nm; a one dimensional model where the variables are assumed to be uniform in each cross section perpendicular to the tube axis and an axi-symmetric model where the aforementioned assumption is relaxed. In the one dimensional model, the rate of mass deposition along the inner surface of the tube is computed based on the local thermophoretic velocity of the particulate phase at the wall. This velocity is proportional to the radial gradient of the temperature at the wall and is calculated via some empirical correlations for heat transfer in tube flows. In the axi-symmetric model, the rate of deposition is computed through the Fick's law after solving the species transport equation for the solid phase. We included the formation of the soot layer through moving the gas-solid interface in both models. The tube effectiveness (the ratio of actual heat transfer to the maximum possible heat transfer) decreases due to the formation of the layer. Model outputs including deposited mass along the tube wall and the tube effectiveness drop have been compared against experiments. While the computed results through both models agree with the trend of experimental data, the axi-symmetric results are closer to the experiments in most cases. The calculated deposited mass is smaller (and closer to experiments) for the axi-symmetric model compared to the one dimensional model in all cases. This indicates that the axi-symmetric model estimates the deposited mass more accurately. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Abarham, Mehdi; Hoard, John W.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Zamankhan, Parsa] ANSYS Inc, Ann Arbor, MI 48108 USA. [Abarham, Mehdi; Styles, Dan] Ford Motor Co, Res & Adv Engn, Dearborn, MI 48124 USA. [Sluder, C. Scott; Storey, John M. E.; Lance, Michael J.] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Lab, Oak Ridge, TN 37830 USA. [Zamankhan, Parsa] Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA. [Assanis, Dennis] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Abarham, M (reprint author), Ford Motor Co, Res & Innovat Ctr 3622, Powertrain Res & Adv Engn, Dearborn, MI 48124 USA. EM abarham@umich.edu RI Lance, Michael/I-8417-2016; OI Lance, Michael/0000-0001-5167-5452; Sluder, Charles Scott/0000-0002-2597-1968 NR 43 TC 6 Z9 6 U1 0 U2 37 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 JUN PY 2013 VL 61 BP 94 EP 105 DI 10.1016/j.ijheatmasstransfer.2013.01.071 PG 12 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 135BE UT WOS:000318260200010 ER PT J AU Grady, D Fenton, G Vogler, T AF Grady, Dennis Fenton, Gregg Vogler, Tracy TI Equation of state and evidence of enhanced phase transformation for shock compression of distended compounds SO INTERNATIONAL JOURNAL OF IMPACT ENGINEERING LA English DT Article; Proceedings Paper CT 12th Hypervelocity Impact Symposium (HVIS) CY SEP 16-20, 2012 CL Baltimore, MD DE Equation of state; Boron carbide; Silicon dioxide; Tantalum pentoxide; Uranium dioxide ID STISHOVITE; WAVE AB Shear stress and deformation is inherent to shock-wave compression. Shear deformation is enhanced when the material subject to shock compression is in an initial distended state. Shock Hugoniot data for full-density and porous compounds of boron carbide, silicon dioxide, tantalum pentoxide, uranium dioxide and playa alluvium are investigated for purposes of equation-of-state representation of intense shock compression. Hugoniot data of distended materials reveal evidence of accelerated solid solid phase transition as a consequence of shock compaction and accompanying enhanced shear deformation. A phenomenological thermo-elastic equation-of-state model is constructed that accounts for both deformation-induced phase transformation and the extreme shock compaction of distended solids, and applied to the compounds studied. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Grady, Dennis; Fenton, Gregg; Vogler, Tracy] Appl Res Associates, Albuquerque, NM 87110 USA. [Grady, Dennis; Fenton, Gregg; Vogler, Tracy] Sandia Natl Labs, Livermore, CA 94551 USA. RP Grady, D (reprint author), Appl Res Associates, 4300 San Mateo Blvd NE, Albuquerque, NM 87110 USA. EM dgrady@ara.com NR 26 TC 4 Z9 4 U1 2 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-743X J9 INT J IMPACT ENG JI Int. J. Impact Eng. PD JUN PY 2013 VL 56 SI SI BP 19 EP 26 DI 10.1016/j.ijimpeng.2012.07.006 PG 8 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 131LG UT WOS:000317994600005 ER PT J AU Walsh, TF Jones, A Bhardwaj, M Dohrmann, C Reese, G Wilson, R AF Walsh, Timothy F. Jones, Andrea Bhardwaj, Manoj Dohrmann, Clark Reese, Garth Wilson, Riley TI A COMPARISON OF TRANSIENT INFINITE ELEMENTS AND TRANSIENT KIRCHHOFF INTEGRAL METHODS FOR FAR FIELD ACOUSTIC ANALYSIS SO JOURNAL OF COMPUTATIONAL ACOUSTICS LA English DT Article DE Far-field acoustics; infinite elements; Kirchhoff integral; parallel implementation ID WAVE-ENVELOPE ELEMENTS; NONREFLECTING BOUNDARY-CONDITIONS; COMPUTATIONAL AEROACOUSTICS; INCOMPRESSIBLE ELASTICITY; NUMERICAL-SOLUTION; VARIABLE ORDER; DOMAIN; SCATTERING; FORMULATION; ALGORITHMS AB Finite element analysis of transient acoustic phenomena on unbounded exterior domains is very common in engineering analysis. In these problems there is a common need to compute the acoustic pressure at points outside of the acoustic mesh, since meshing to points of interest is impractical in many scenarios. In aeroacoustic calculations, for example, the acoustic pressure may be required at tens or hundreds of meters from the structure. In these cases, a method is needed for post-processing the acoustic results to compute the response at far-field points. In this paper, we compare two methods for computing far-field acoustic pressures, one derived directly from the infinite element solution, and the other from the transient version of the Kirchhoff integral. We show that the infinite element approach alleviates the large storage requirements that are typical of Kirchhoff integral and related procedures, and also does not suffer from loss of accuracy that is an inherent part of computing numerical derivatives in the Kirchhoff integral. In order to further speed up and streamline the process of computing the acoustic response at points outside of the mesh, we also address the nonlinear iterative procedure needed for locating parametric coordinates within the host infinite element of far-field points, the parallelization of the overall process, linear solver requirements, and system stability considerations. C1 [Walsh, Timothy F.; Jones, Andrea; Bhardwaj, Manoj; Dohrmann, Clark; Reese, Garth; Wilson, Riley] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Walsh, TF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 37 TC 0 Z9 0 U1 3 U2 8 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-396X J9 J COMPUT ACOUST JI J. Comput. Acoust. PD JUN PY 2013 VL 21 IS 2 AR 1350006 DI 10.1142/S0218396X13500069 PG 30 WC Acoustics; Mathematics, Interdisciplinary Applications SC Acoustics; Mathematics GA 135QQ UT WOS:000318304000007 ER PT J AU Gundiah, G Yan, ZW Bizarri, G Derenzo, SE Bourret-Courchesne, ED AF Gundiah, Gautam Yan, Zewu Bizarri, Gregory Derenzo, Stephen E. Bourret-Courchesne, Edith D. TI Structure and scintillation of Eu2+-activated BaBrCl and solid solutions in the BaCl2-BaBr2 system SO JOURNAL OF LUMINESCENCE LA English DT Article DE Scintillator; Gamma-ray detector; Solid solutions; BaBrCl; Europium; Barium bromide chloride ID X-RAY; CRYSTAL STRUCTURES; PERFORMANCE; DESIGN AB The structure and scintillation properties of BaBrCl:xEu(2+)(x=0-0.12) and Eu2+ activated solid solutions in the BaCl2-BaBr2 system are reported. Samples were synthesized in the form of 1-5 mm crystals by melting the reactants in sealed quartz tubes followed by slow cooling. The solid solutions form an orthorhombic PbCl2-type crystal structure with an ordered arrangement of the anions. Upon optical and X-ray excitation, the samples show an intense emission centered between 407 and 412 nm. The samples exhibit a fast decay characteristic of Eu2+, with the primary decay component between 550 and 700 ns, depending on the Eu concentration. The luminosity for the solid solutions is estimated to be similar to the binary halide end members. (C) 2013 Elsevier B.V. All rights reserved. C1 [Gundiah, Gautam; Yan, Zewu; Bizarri, Gregory; Derenzo, Stephen E.; Bourret-Courchesne, Edith D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Gundiah, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM GGundiah@lbl.gov FU US Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-07-X-00170]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work has been supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under: competitively awarded Contract IAA HSHQDC-07-X-00170 and carried out at the Lawrence Berkeley National Laboratory under Contract no. DE-AC02-05CH11231. This support does not constitute an express or implied endorsement on the part of the Government. We thank Dr. Guang Wu for crystal structure determinations, Drs. Andrew Canning, Marvin J. Weber, Eric Samulon for useful discussions regarding the structure/scintillation properties and Mr. S.M. Hanrahan for measurements. NR 22 TC 3 Z9 3 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 J9 J LUMIN JI J. Lumines. PD JUN PY 2013 VL 138 BP 143 EP 149 DI 10.1016/j.jlumin.2013.01.017 PG 7 WC Optics SC Optics GA 132GI UT WOS:000318055500025 ER PT J AU Tucker, GJ Foiles, SM AF Tucker, Garritt J. Foiles, Stephen M. TI Molecular dynamics simulations of rate-dependent grain growth during the surface indentation of nanocrystalline nickel SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Grain growth; Grain boundaries; Nanostructured materials; Nanoindentation; Plasticity; Twinning ID THIN-FILMS; BOUNDARY MIGRATION; DEFORMATION; STRENGTH; COPPER; NANOINDENTATION; PLASTICITY; DUCTILITY; METALS; CU AB Molecular dynamics simulations are leveraged in this study to explore rate-dependent grain growth and deformation in nanocrystalline nickel due to surface indentation at room temperature. A 50 nm thin film with approximately 700 grains is indented with a 15 nm spherical indenter at rates of 0.2 m/s, 1.0 m/s, and 5.0 m/s. We simulate the indentation, hold, and removal of the indenter, as well as compute grain growth and distribution profiles during microstructure deformation. Novel algorithms are also developed in this work to accurately distinguish individual grains and provide quantitative data for the evolution of the microstructure. Results of the simulations show that lattice deformation mechanisms, such as dislocation slip and twinning, that accompany grain growth are also functions of indentation rate and equilibration time. This work shows that grain growth in this nanocrystalline nickel structure is indeed rate-dependent, and is most prominent for grains near the indentation surface during both the hold and removal of the indenter. (C) 2013 Elsevier B.V. All rights reserved. C1 [Tucker, Garritt J.; Foiles, Stephen M.] Sandia Natl Labs, Computat Mat Sci & Engn Dept, Albuquerque, NM 87185 USA. RP Tucker, GJ (reprint author), Sandia Natl Labs, Computat Mat Sci & Engn Dept, POB 5800 MS 1411, Albuquerque, NM 87185 USA. EM gtucker@sandia.gov RI Tucker, Garritt/A-1954-2016; OI Tucker, Garritt/0000-0002-4011-450X; Foiles, Stephen/0000-0002-1907-454X FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia's Laboratory Directed Research and Development program; US Department of Energy, Office of Basic Energy Sciences 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. GJT would like to acknowledge support from Sandia's Laboratory Directed Research and Development program, and SMF would like to acknowledge support from the US Department of Energy, Office of Basic Energy Sciences. NR 50 TC 19 Z9 19 U1 0 U2 47 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUN 1 PY 2013 VL 571 BP 207 EP 214 DI 10.1016/j.msea.2012.08.045 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 131LH UT WOS:000317994700027 ER PT J AU Wouters, Y Pint, B Monceau, D AF Wouters, Yves Pint, Bruce Monceau, Daniel TI Water Vapor Effects in High Temperature Oxidation SO OXIDATION OF METALS LA English DT Editorial Material C1 [Wouters, Yves] Univ Grenoble, Sci & Ingn Mat & Proc SIMaP, F-38402 St Martin Dheres, France. [Pint, Bruce] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Monceau, Daniel] CIRIMAT, INP Toulouse CNRS, F-31030 Toulouse, France. RP Wouters, Y (reprint author), Univ Grenoble, Sci & Ingn Mat & Proc SIMaP, 1130 Rue Piscine,BP 75, F-38402 St Martin Dheres, France. EM yves.wouters@simap.grenoble-inp.fr; pintba@ornl.gov; daniel.monceau@ensiacet.fr RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 NR 0 TC 0 Z9 0 U1 0 U2 13 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X J9 OXID MET JI Oxid. Met. PD JUN PY 2013 VL 79 IS 5-6 SI SI BP 443 EP 444 DI 10.1007/s11085-012-9341-3 PG 2 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 135II UT WOS:000318281400001 ER PT J AU Mu, N Jung, K Yanar, NM Pettit, FS Holcomb, GR Howard, BH Meier, GH AF Mu, N. Jung, K. Yanar, N. M. Pettit, F. S. Holcomb, G. R. Howard, B. H. Meier, G. H. TI The Effects of Water Vapor and Hydrogen on the High-Temperature Oxidation of Alloys SO OXIDATION OF METALS LA English DT Article DE Fe-base alloys; Ni-base alloys; Oxidation; Water vapor ID FE-CR; EXTERNAL OXIDATION; ATMOSPHERES; TRANSITION; BEHAVIOR AB Essentially all alloys and coatings that are resistant to corrosion at high temperature require the formation of a protective (slowly-growing and adherent) oxide layer by a process known as selective oxidation. The fundamental understanding of this process has been developed over the years for exposure in pure oxygen or air. However, the atmospheres in most applications contain significant amounts of water vapor which can greatly modify the behavior of protective oxides. The development of oxy-fuel combustion systems in which fossil fuels are burned in a mixture of recirculated flue gas and oxygen, rather than in air, has caused renewed interest in the effects of water vapor and steam on alloy oxidation. The focus of this paper is on the ways the presence of water vapor can directly alter the selective oxidation process. The paper begins with a brief review of the fundamentals of selective oxidation followed by a description of recent experimental results regarding the effect of water vapor on the oxidation of a variety of chromia-forming alloys (Fe- and Ni-base) in the temperature range 600 to 700 A degrees C. The atmospheres include air, air-H2O, Ar-H2O and Ar-H2O-O-2. Then the behavior of alumina-forming alloys in H2O-containing atmospheres is briefly described. As hydrogen is produced during oxidation of alloys in H2O, it can be released back into the gas phase or injected into the metal (where it can diffuse through to the other side). Experiments in which hydrogen concentrations have been measured on both sides of thin specimens during oxidation by H2O on only one side are described. Finally, it is attempted to catalogue the various experimental observations under a few general principles. C1 [Mu, N.; Jung, K.; Yanar, N. M.; Pettit, F. S.; Howard, B. H.; Meier, G. H.] Natl Energy Technol Lab, Pittsburgh, PA USA. [Mu, N.; Jung, K.; Yanar, N. M.; Pettit, F. S.; Meier, G. H.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA USA. [Holcomb, G. R.] US Natl Energy Technol Lab, Albany, OR USA. RP Mu, N (reprint author), Natl Energy Technol Lab, Pittsburgh, PA USA. EM austinmu@hotmail.com; jung.keeyoung@gmail.com; nmy4@pitt.edu; pettitfs@pitt.edu; gordon.holcomb@netl.doe.gov; bret.howard@netl.doe.gov; ghmeier@pitt.edu RI Holcomb, Gordon/G-9070-2013 OI Holcomb, Gordon/0000-0003-3542-5319 FU National Energy Technology Laboratory's ongoing research on Advanced Combustion under RES [DE-FE0004000]; agency of the United States Government FX This work at University of Pittsburgh was performed in support of the National Energy Technology Laboratory's ongoing research on Advanced Combustion under RES contract DE-FE0004000. The authors are most grateful to Prof. Shigenari Hayashi for help with the GD-OES measurements and Dr. M. P. Brady at ORNL for providing the AFA alloys.; 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 13 TC 9 Z9 9 U1 2 U2 52 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X J9 OXID MET JI Oxid. Met. PD JUN PY 2013 VL 79 IS 5-6 SI SI BP 461 EP 472 DI 10.1007/s11085-012-9349-8 PG 12 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 135II UT WOS:000318281400003 ER PT J AU Dryepondt, S Put, ARV Pint, BA AF Dryepondt, Sebastien Put, Aurelie Rouaix-Vande Pint, Bruce A. TI Effect of H2O and CO2 on the Oxidation Behavior and Durability at High Temperature of ODS-FeCrAl SO OXIDATION OF METALS LA English DT Article DE ODS alloys; Lifetime; H2O; CO2 ID WATER-VAPOR; ALUMINUM DEPLETION; ALLOYS; POROSITY; COATINGS; SCALE AB Cyclic oxidation testing was conducted on alloy MA956 and two different batches of alloy PM2000 at 1,100 and 1,200 A degrees C in different atmospheres rich in O-2, H2O and CO2. Compared to 1 h cycles in dry O-2, exposure in air + 10 vol.% H2O resulted in an increase of the oxidation rate and a decrease of the time to breakaway for all alloys at 1,200 A degrees C, and a faster consumption of Al in the MA956 alloy. One hour cyclic testing in 49.25 % CO2 + 50 % H2O + 0.75 % O-2 had a smaller effect on the oxidation rate but led to increased formation of voids in alloy MA956, which had an impact on the alloy creep resistance. At 1,100 A degrees C, exposure in 50 % CO2 + 50 % H2O resulted in significant oxide spallation compared with oxidation in air, but this was not the case when 0.75 % O-2 was added to the CO2/H2O mixture as a buffer. The control of impurity levels drastically improved the oxidation resistance of PM2000. C1 [Dryepondt, Sebastien; Pint, Bruce A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Put, Aurelie Rouaix-Vande] ENSIACET, Inst Carnot CIRIMAT, F-31432 Toulouse 4, France. RP Dryepondt, S (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM dryepondtsn@ornl.gov; aurelie.rouaix@ensiacet.fr; pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 FU U.S. Department of Energy, Fossil Energy Advanced Materials Research Program FX The author wish to acknowledge G. Garner, T. Lowe, M. Stephens and J. Moser for assistance with the experimental work, as well as D. N. Leonard for EPMA analysis, M. Lance for stress measurement using the PSLS technique and K. Strader for the specimen porosity analysis. They also thank M. Brady, P. Tortorelli and I. Wright for reviewing the manuscript. This research was sponsored by the U.S. Department of Energy, Fossil Energy Advanced Materials Research Program. NR 20 TC 9 Z9 9 U1 2 U2 25 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X J9 OXID MET JI Oxid. Met. PD JUN PY 2013 VL 79 IS 5-6 SI SI BP 627 EP 638 DI 10.1007/s11085-013-9382-2 PG 12 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 135II UT WOS:000318281400017 ER PT J AU O'Brien, SL Jastrow, JD AF O'Brien, Sarah L. Jastrow, Julie D. TI Physical and chemical protection in hierarchical soil aggregates regulates soil carbon and nitrogen recovery in restored perennial grasslands SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Soil organic matter; Stabilization mechanisms; Prairie; Aggregates; Fractionation; Particulate organic matter; Mineral-associated organic matter ID ORGANIC-MATTER; STABILIZATION MECHANISMS; MINERAL SURFACES; C-SEQUESTRATION; CULTIVATION; PRAIRIE; SATURATION; DYNAMICS; STABILITY; POOLS AB Stabilization offered by physicochemical protection in hierarchical soil aggregates is critical for building and maintaining soil C and N stocks. However, it is unclear if complex stabilization mechanisms can completely recover when native plant communities are re-established on soils depleted of C and N by agriculture. We isolated particulate organic matter (POM) and silt- and clay-sized fractions from four structurally defined locations within soil collected from an agricultural field, prairies restored for 3-33 years, and a never-cultivated remnant prairie. We used aggregate hierarchy to define our four soil locations: non-aggregated material, free microaggregates, macroaggregates (excluding encapsulated microaggregates), and microaggregates-within-macroaggregates. We found that the duration of linear soil C and N accumulation differed among aggregate-occluded pools in relation to the combined influences of soil mass redistribution and increases in C and N concentrations. Silt in microaggregates isolated from within macroaggregates contributed the greatest quantities of C and N to whole soil, yet reached steady state C and N contents that were only 59% (C) and 56% (N) of those observed in the remnant prairie soil. Although the C and N contents of most pools were still well below the amounts in the reference remnant prairie, the overall distribution of C among pools was similar to the remnant within 33 years of restoration, suggesting that SOM stabilization mechanisms do largely recover in the first decades after cessation of tillage and restoration of the plant community. Thus, the pools that fell short of pre-cultivation C and N contents within the timespan of the chronosequence might continue to build C and N even though they appeared to be at steady state at the time of sampling, possibly because not enough time has passed at the current input rate or because of lags in SOM transfer among pools. We hypothesize that several "transient steady states" could occur in some SOM pools along the way to an overall whole-soil steady state that could take centuries to achieve. (C) 2013 Elsevier Ltd. All rights reserved. C1 [O'Brien, Sarah L.] Univ Illinois, Dept Biol Sci, Chicago, IL 60507 USA. [O'Brien, Sarah L.; Jastrow, Julie D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP O'Brien, SL (reprint author), Argonne Natl Lab, Inst Genom & Syst Biol, 9700 S Cass Ave, Argonne, IL 60439 USA. EM obrien@mcs.anl.gov FU Department of Energy Global Change Education Program Graduate Research Environmental Fellowship; US Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division [DE-AC02-06CH11357] FX SLO was supported by a Department of Energy Global Change Education Program Graduate Research Environmental Fellowship. This work was supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division under contract DE-AC02-06CH11357 to Argonne National Laboratory. We thank Fermilab personnel who established and maintained the field site, and many Argonne interns and technicians who helped collect and process soil samples. We are grateful to Kelly Moran and Jennifer Kindermann for their extensive help with soil fractionations. We appreciate helpful discussions with Miguel Gonzalez-Meler and comments provided by Colleen Iversen and an anonymous reviewer on earlier drafts of this manuscript. NR 81 TC 30 Z9 31 U1 8 U2 183 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD JUN PY 2013 VL 61 BP 1 EP 13 DI 10.1016/j.soilbio.2013.01.031 PG 13 WC Soil Science SC Agriculture GA 133LQ UT WOS:000318140300001 ER PT J AU Singh, AV Yu, M Gupta, AK Bryden, KM AF Singh, A. V. Yu, M. Gupta, A. K. Bryden, K. M. TI Thermo-acoustic behavior of a swirl stabilized diffusion flame with heterogeneous sensors SO APPLIED ENERGY LA English DT Article DE Heterogeneous sensor system; Swirl; Turbulent diffusion flame; Temperature fluctuations; Thermal time scales; Acoustics; CFD; RANS; LES ID TEMPERATURE-MEASUREMENTS; THERMOCOUPLES; NOISE AB Next generation combustors are expected to be significantly more efficient while reducing pollutants and eliminating carbon emissions. In such combustors, the challenges of local flow, pressure, chemical composition and thermal signatures as well as their interactions require understanding to seek for optimum performance of the system. The current practice of using a single sensor to measure certain parameters at a single location cannot provide sufficient information to achieve desirable and optimum overall performance of the combustor. A high density sensor network with a large number of sensors will be required in future smart combustors to obtain detailed information on the various ongoing processes within the system. As an initial step towards the development of such sensor networks, the effect of mean and fluctuating temperature distribution on the distribution of acoustic sources within the flame has been examined by using a thermocouple and condenser microphone using swirl stabilized diffusion flames. The measurement of high frequency temperature signal allowed observation of characteristic mean and fluctuating temperatures, and thermal stratification characteristics from within the flame. Specifically mean and fluctuating temperatures, integral and micro-thermal time scales have been determined at various spatial locations in the flame. Investigation of the thermal field and their effect on the localization of acoustic sources in the two flames formed at different equivalence ratios has been examined. The thermal characteristics data obtained provided a better insight on the thermal behavior of co-swirl diffusion flames. Noise spectra for varying air-fuel ratios were determined. Results of time average and fluctuating temperature and sound pressure level spectra showed noise emission in flames to lie near to the regions of high temperature which result in pressure fluctuations within the flame. The results are complemented with 3D CFD simulations that supported the localization of the acoustic sources within the turbulent diffusion flames. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Singh, A. V.; Yu, M.; Gupta, A. K.] Univ Maryland, College Pk, MD 20742 USA. [Bryden, K. M.] Ames Lab, Ames, IA 50011 USA. RP Gupta, AK (reprint author), Univ Maryland, College Pk, MD 20742 USA. EM akgupta@umd.edu RI Bryden, Kenneth/G-6918-2012; Yu, Miao/M-6252-2013 OI Yu, Miao/0000-0003-4180-5094 FU U.S. Department of Energy; Ames Laboratory FX This research was supported by the U.S. Department of Energy and the Ames Laboratory and is gratefully acknowledged. NR 23 TC 14 Z9 14 U1 1 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD JUN PY 2013 VL 106 BP 1 EP 16 DI 10.1016/j.apenergy.2013.01.044 PG 16 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 125MR UT WOS:000317544400001 ER PT J AU Yin, HB Sabau, AS Conklin, JC McFarlane, J Qualls, AL AF Yin, Hebi Sabau, Adrian S. Conklin, James C. McFarlane, Joanna Qualls, A. Lou TI Mixtures of SF6-CO2 as working fluids for geothermal power plants SO APPLIED ENERGY LA English DT Article DE Geothermal binary plant; SF6-CO2 mixture; Cycle efficiency; Heat transfer coefficient; Working fluid ID ORGANIC RANKINE-CYCLE; THERMODYNAMIC ANALYSIS; ATMOSPHERIC LIFETIMES; SOLAR-ENERGY; WASTE HEAT; GENERATION; IMPROVEMENT; RECOVERY; DESIGN AB In this paper, supercritical/transcritical thermodynamic cycles using mixtures of SF6-CO2 as working fluids were investigated for geothermal power plants. The system of equations that described the thermodynamic cycle was solved using a Newton-Raphson method. This approach allows a high computational efficiency even when thermophysical properties of the working fluid depend strongly on the temperature and pressure. The thermophysical properties of the mixtures were obtained from National Institute of Standards and Technology (NIST) REFPROP software and constituent cubic equations. The local heat transfer coefficients in the heat exchangers were calculated based on the local properties of the working fluid, geothermal brine, and cooling water. The heat exchanger areas required were calculated. Numerical simulation results presented for different cycle configurations were used to assess the effects of the SF6 fraction in CO2, brine temperature, and recuperator size on the cycle thermal efficiency, and size of heat exchangers for the evaporator and condenser. For working fluids with SF6, concentrations of 15 and 20 mol% were found to yield the highest Brayton and Rankine cycle efficiencies, respectively. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Yin, Hebi; Sabau, Adrian S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Conklin, James C.; McFarlane, Joanna] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Qualls, A. Lou] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. RP Sabau, AS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM sabaua@ornl.gov RI Sabau, Adrian/B-9571-2008; McFarlane, Joanna/C-5998-2016 OI Sabau, Adrian/0000-0003-3088-6474; McFarlane, Joanna/0000-0002-4112-5104 FU U.S. Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 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 18 Z9 19 U1 6 U2 59 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 JUN PY 2013 VL 106 BP 243 EP 253 DI 10.1016/j.apenergy.2013.01.060 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 125MR UT WOS:000317544400023 ER PT J AU Camarillo, MK Stringfellow, WT Hanlon, JS Watson, KA AF Camarillo, Mary Kay Stringfellow, William T. Hanlon, Jeremy S. Watson, Kyle A. TI Investigation of selective catalytic reduction for control of nitrogen oxides in full-scale dairy energy production SO APPLIED ENERGY LA English DT Article DE Selective catalytic reduction (SCR); Nitrogen oxides (NOx); Dairy manure; Anaerobic digestion; Combined heat power ID SPARK-IGNITION ENGINE; MECHANISTIC ASPECTS; NOX; BIOGAS; EMISSIONS; AMMONIA; SCR; PERFORMANCES; COMBUSTION; EFFICIENCY AB Selective catalytic reduction (SCR) was used to reduce exhaust gas nitrogen oxides (NOx) from the emissions of a 710 kW combined heat and power system fueled by dairy biogas. Exhaust gas NOx was reduced from 63.1 +/- 31.9 to 14.2 +/- 17.5 ppmvd @ 15% O-2 such that emissions were 0.33 +/- 0.40 g kW(-1) h(-1), based on data averaged over 15 min intervals. Online exhaust gas sensors with integrated process control algorithms were effective in improving NOx removal by automated control of urea, the ammonia source used for catalysis of NO,, reduction reactions. Pre-SCR NOx was most strongly correlated with equivalence ratio (R-2 = 0.39), indicative of the air-fuel ratio. A concave relationship between NOx production and thermal conversion efficiency was not observed since lean-burn operation of the engine was consistent and only altered under low engine load. Following installation of pre- and post-SCR NOx sensors, average daily exhaust gas NOx reduction in the SCR was 82.6 +/- 8.5%. Post-SCR NOx emissions were typically impacted by pre-SCR NOx (R-2 = 0.36), suggesting that altered operation of the anaerobic digesters or modifications to the engine would be effective in reducing NOx emissions as well as urea demand. After nearly three years of operation, the SCR catalyst remains in service without requiring replacement. Average daily urea demand was 31.8 +/- 16.3 L d(-1) for the system that produced 369 +/- 136 kW of electricity. During the second year of observation the regulatory limit of 0.804 g kW(-1) h(-1) was met 94% of the time while the regulatory target of 0.201 g kW(-1) h(-1) was only met 45% of the time, based on data averaged over 15 min intervals. These results provide guidance for dairy energy projects in locations with stringent NOx emissions standards. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Camarillo, Mary Kay] Univ Pacific, Sch Engn & Comp Sci, Dept Civil Engn, Stockton, CA 95211 USA. [Stringfellow, William T.; Hanlon, Jeremy S.] Univ Pacific, Sch Engn & Comp Sci, Ecol Engn Res Program, Stockton, CA 95211 USA. [Stringfellow, William T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Watson, Kyle A.] Univ Pacific, Sch Engn & Comp Sci, Dept Mech Engn, Stockton, CA 95211 USA. RP Camarillo, MK (reprint author), Univ Pacific, Sch Engn & Comp Sci, Dept Civil Engn, 3601 Pacific Ave, Stockton, CA 95211 USA. EM mcamarillo@pacific.edu RI Stringfellow, William/O-4389-2015 OI Stringfellow, William/0000-0003-3189-5604 FU US Department of Energy National Energy Technology Laboratory [DE-EE0001895]; California Energy Commission [PIR-10-053] FX Funding was received from the US Department of Energy National Energy Technology Laboratory, Assistance Agreement DE-EE0001895 and from the California Energy Commission, Contract Number #PIR-10-053. NR 40 TC 9 Z9 9 U1 1 U2 51 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD JUN PY 2013 VL 106 BP 328 EP 336 DI 10.1016/j.apenergy.2013.01.066 PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 125MR UT WOS:000317544400032 ER PT J AU Stoitsov, MV Schunck, N Kortelainen, M Michel, N Nam, H Olsen, E Sarich, J Wild, S AF Stoitsov, M. V. Schunck, N. Kortelainen, M. Michel, N. Nam, H. Olsen, E. Sarich, J. Wild, S. TI Axially deformed solution of the Skyrme-Hartree-Fock-Bogoliubov equations using the transformed harmonic oscillator basis (II) HFBTHO v2.00d: A new version of the program SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Nuclear density functional theory; Self-consistent mean-field; Hartree-Fock-Bogoliubov; Skyrme functionals; Finite temperature HFB; Particle number projection; Transformed harmonic oscillator; Axial symmetry ID NUCLEI; FIELD AB We describe the new version 2.00d of the code HFBTHO that solves the nuclear Skyrme-Hartree-Fock (HF) or Skyrme-Hartree-Fock-Bogoliubov (HFB) problem by using the cylindrical transformed deformed harmonic oscillator basis. In the new version, we have implemented the following features: (i) the modified Broyden method for non-linear problems, (ii) optional breaking of reflection symmetry, (iii) calculation of axial multipole moments, (iv) finite temperature formalism for the HFB method, (v) linear constraint method based on the approximation of the Random Phase Approximation (RPA) matrix for multi-constraint calculations, (vi) blocking of quasi-particles in the Equal Filling Approximation (EFA), (vii) framework for generalized energy density with arbitrary density-dependences, and (viii) shared memory parallelism via OpenMP pragmas. Program summary Program title: HFBTHO v2.00d Catalog identifier: ADUI_v2_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADUI_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 167228 No. of bytes in distributed program, including test data, etc.: 2672156 Distribution format: tar.gz Programming language: FORTRAN-95. Computer: Intel Pentium-III, Intel Xeon, AMD-Athlon, AMD-Opteron, Cray XT5, Cray XE6. Operating system: UNIX, LINUX, WindowsXP. RAM: 200 Mwords Word size: 8 bits Classification: 17.22. Does the new version supercede the previous version?: Yes Catalog identifier of previous version: ADUI_v1_0 Journal reference of previous version: Comput. Phys. Comm. 167 (2005) 43 Nature of problem: The solution of self-consistent mean-field equations for weakly-bound paired nuclei requires a correct description of the asymptotic properties of nuclear quasi-particle wave functions. In the present implementation, this is achieved by using the single-particle wave functions of the transformed harmonic oscillator, which allows for an accurate description of deformation effects and pairing correlations in nuclei arbitrarily close to the particle drip lines. Solution method: The program uses the axial Transformed Harmonic Oscillator (THO) single- particle basis to expand quasi-particle wave functions. It iteratively diagonalizes the Hartree-Fock-Bogoliubov Hamiltonian based on generalized Skyrme-like energy densities and zero-range pairing interactions until a self-consistent solution is found. A previous version of the program was presented in: M.V. Stoitsov, J. Dobaczewski, W. Nazarewicz, P. Ring, Comput. Phys. Commun. 167 (2005) 43-63. Reasons for new version: Version 2.00d of HFBTHO provides a number of new options such as the optional breaking of reflection symmetry, the calculation of axial multipole moments, the finite temperature formalism for the HFB method, optimized multi-constraint calculations, the treatment of odd-even and odd-odd nuclei in the blocking approximation, and the framework for generalized energy density with arbitrary density-dependences. It is also the first version of HFBTHO to contain threading capabilities. Summary of revisions: 1. The modified Broyden method has been implemented, 2. Optional breaking of reflection symmetry has been implemented, 3. The calculation of all axial multipole moments up to lambda = 8 has been implemented, 4. The finite temperature formalism for the HFB method has been implemented, 5. The linear constraint method based on the approximation of the Random Phase Approximation (RPA) matrix for multi-constraint calculations has been implemented, 6. The blocking of quasi-particles in the Equal Filling Approximation (EFA) has been implemented, 7. The framework for generalized energy density functionals with arbitrary density-dependence has been implemented, 8. Shared memory parallelism via OpenMP pragmas has been implemented. Restrictions: Axial- and time-reversal symmetries are assumed. Unusual features: The user must have access to (i) the LAPACK subroutines. DSYEVD, DSYTRF and DSYTRI, and their dependences, which compute eigenvalues and eigenfunctions of real symmetric matrices, (ii) the LAPACK subroutines DGETRI and DGETRF, which invert arbitrary real matrices, and (iii) the BLAS routines DCOPY, DSCAL, DGEMM and DGEMV for double-precision linear algebra (or provide another set of subroutines that can perform such tasks). The BLAS and LAPACK subroutines can be obtained from the Netlib Repository at the University of Tennessee, Knoxville: http://netlib2.cs.utk.edu/. Running time: Highly variable, as it depends on the nucleus, size of the basis, requested accuracy, requested configuration, compiler and libraries, and hardware architecture. An order of magnitude would be a few seconds for ground-state configurations in small bases N-max approximate to 8 - 12, to a few minutes in very deformed configuration of a heavy nucleus with a large basis N-max > 20. (C) 2013 Elsevier B.V. All rights reserved. C1 [Stoitsov, M. V.; Kortelainen, M.; Michel, N.; Olsen, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Stoitsov, M. V.; Kortelainen, M.; Nam, H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Schunck, N.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. [Kortelainen, M.] Univ Jyvaskyla, Dept Phys, FI-40014 Jyvaskyla, Finland. [Sarich, J.; Wild, S.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Schunck, N (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. EM schunck1@llnl.gov RI Wild, Stefan/P-4907-2016; OI Wild, Stefan/0000-0002-6099-2772; Schunck, Nicolas/0000-0002-9203-6849 FU Academy of Finland under the Centre of Excellence Programme; FIDIPRO programme; US Department of Energy [DE-FC02-09ER41583, DE-SC0008499, DE-FC02-07ER41457, DE-FG02-96ER40963, DE-AC02006CH11357]; US Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-CODE-573953, LLNL-JRNL-587360]; United States Department of Energy Office of Science, Nuclear Physics Program [DE-AC52-07NA27344]; American Recovery and Reinvestment Act; Office of Science of the Department of Energy [DE-AC05-00OR22725]; National Energy Research Scientific Computing Center by the Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX Discussions with R. Parrish are very Warmly acknowledged. This work was supported in part by the Academy of Finland under the Centre of Excellence Programme 2012-2017 (Nuclear and Accelerator Based Physics Programme at JYFL) and FIDIPRO programme, the US Department of Energy grant Nos. DE-FC02-09ER41583 (UNEDF SciDAC program), DE-SC0008499 (NUCLEI SciDAC Collaboration), DE-FC02-07ER41457, DE-FG02-96ER40963 (University of Tennessee), and DE-AC02006CH11357 (Argonne National Laboratory). It was partly performed under the auspices of the US Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (code release number: LLNL-CODE-573953, document release number: LLNL-JRNL-587360). Funding was also provided by the United States Department of Energy Office of Science, Nuclear Physics Program pursuant to Contract DE-AC52-07NA27344 Clause B-9999, Clause H-9999 and the American Recovery and Reinvestment Act, Pub. L. 111-5. An award of 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 DE-AC05-00OR22725. It was also supported by the National Energy Research Scientific Computing Center supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. We also acknowledge "Fusion", a 320-node cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory, and the CSC-IT Center for Science Ltd, Finland for the allocation of computational resources. NR 28 TC 46 Z9 48 U1 2 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUN PY 2013 VL 184 IS 6 BP 1592 EP 1604 DI 10.1016/j.cpc.2013.01.013 PG 13 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 125KS UT WOS:000317539300012 ER PT J AU Lance, SL Flynn, RW Erickson, MR Scott, DE AF Lance, Stacey L. Flynn, R. Wesley Erickson, Matthew R. Scott, David E. TI Within- and among-population level differences in response to chronic copper exposure in southern toads, Anaxyrus terrestris SO ENVIRONMENTAL POLLUTION LA English DT Article DE Anaxyrus (Bufo) terrestris; Amphibian; Copper; Ecotoxicology; Metal toxicity; Tolerance ID COAL-COMBUSTION WASTES; DIETARY MERCURY EXPOSURE; FROG RANA-SPHENOCEPHALA; GEOGRAPHIC-VARIATION; HEAVY-METAL; GASTROPHRYNE-CAROLINENSIS; XENOPUS-LAEVIS; TOLERANCE; TOXICITY; AMPHIBIANS AB Environmental contaminants are implicated in the global decline of amphibian populations. Copper (Cu) is a widespread contaminant that can be toxic at concentrations just above the normal physiological range. In the present study we examined the effects of chronic Cu aqueous exposure on embryos and larvae of southern toads, Anaxyrus (Bufo) terrestris. Measurable levels of Cu were found in larvae, with tissue concentrations up to 27.5 mu g Cu/g dry mass. Aqueous concentrations of Cu as low as 10 mu g/L significantly reduced survival to the free-swimming stage and no larvae reached metamorphosis at concentrations above 15 mu g/L. Clutches from populations with prior Cu exposure had the lowest survivorship. Among several populations there was significant variation in survivorship at different levels of Cu. More data are needed to understand the underlying causes of within- and among-population resilience to anthropogenic stressors. (c) 2013 Elsevier Ltd. All rights reserved. C1 [Lance, Stacey L.; Flynn, R. Wesley; Erickson, Matthew R.; Scott, David E.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Lance, SL (reprint author), Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. EM lance@srel.edu; wflynn@srel.edu; matt_erick@yahoo.com; scott@srel.edu RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU U.S. Department of Energy [DE-FC09-07SR22506]; DOE National Nuclear Security Administration FX We thank Gary Mills for assistance with metals analysis and comments on an earlier version of the manuscript. This research was partially supported by U.S. Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation, and was also made possible by the status of the SRS as a National Environmental Research Park (NERP), as well as the protection of research wetlands in the SRS Set-Aside Program. Project funding was provided by the DOE National Nuclear Security Administration. Animals were collected under SCDNR permit #G-09-03 following IACUC procedures (AUP A2009 10-175-Y2-A0) from the University of Georgia. This manuscript was improved by comments from four anonymous reviewers. NR 53 TC 10 Z9 10 U1 0 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 EI 1873-6424 J9 ENVIRON POLLUT JI Environ. Pollut. PD JUN PY 2013 VL 177 BP 135 EP 142 DI 10.1016/j.envpol.2013.02.009 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 128VB UT WOS:000317796700018 PM 23500050 ER PT J AU Gopinath, G Hari, K Jain, R Mammel, MK Kothary, MH Franco, AA Grim, CJ Jarvis, KG Sathyamoorthy, V Hu, L Datta, AR Patel, IR Jackson, SA Gangiredla, J Kotewicz, ML LeClerc, JE Wekell, M McCardell, BA Solomotis, MD Tall, BD AF Gopinath, G. Hari, K. Jain, R. Mammel, M. K. Kothary, M. H. Franco, A. A. Grim, C. J. Jarvis, K. G. Sathyamoorthy, V. Hu, L. Datta, A. R. Patel, I. R. Jackson, S. A. Gangiredla, J. Kotewicz, M. L. LeClerc, J. E. Wekell, M. McCardell, B. A. Solomotis, M. D. Tall, B. D. TI The Pathogen-annotated Tracking Resource Network (PATRN) system: A web-based resource to aid food safety, regulatory science, and investigations of foodborne pathogens and disease SO FOOD MICROBIOLOGY LA English DT Article DE Pathogen data analysis platform; Web-based pathogen tracking database system ID ESCHERICHIA-COLI O157H7; ENTEROBACTER-SAKAZAKII; UNITED-STATES; BIOINFORMATICS RESOURCE; CLINICAL SPECIMENS; CRONOBACTER; IDENTIFICATION; INSTITUTE; DATABASE; PULSENET AB Investigation of foodborne diseases requires the capture and analysis of time-sensitive information on microbial pathogens that is derived from multiple analytical methods and sources. The web-based Pathogen-annotated Tracking Resource Network (PATRN) system (www.patrn.net) was developed to address the data aggregation, analysis, and communication needs important to the global food safety community for the investigation of foodborne disease. PATRN incorporates a standard vocabulary for describing isolate metadata and provides a representational schema for a prototypic data exchange standard using a novel data loading wizard for aggregation of assay and attribution information. PATRN currently houses expert-curated, high-quality "foundational datasets" consisting of published experimental results from conventional assays and next generation analysis platforms for isolates of Escherichia coli, Listeria monocytogenes, and Salmonella, Shigella, Vibrio and Cronobacter species. A suite of computational tools for data mining, clustering, and graphical representation is available. Within PATRN, the public curated data repository is complemented by a secure private workspace for user-driven analyses, and for sharing data among collaborators. To demonstrate the data curation, loading wizard features, and analytical capabilities of PATRN, three use-case scenarios are presented. Use-case scenario one is a comparison of the distribution and prevalence of plasmid-encoded virulence factor genes among 249 Cronobacter strains with similar attributes to that of nine Cronobacter isolates from recent cases obtained between March and October, 2010-2011. To highlight PATRN's data management and trend finding tools, analysis of datasets, stored in PATRN as part of an ongoing surveillance project to identify the predominant molecular serogroups among Cronobacter sakazakii isolates observed in the USA is shown. Use-case scenario two demonstrates the secure workspace available for private users to upload and analyze sensitive data, and for collating cross-platform datasets to identify and validate congruent datapoints. SNP datasets from WGS assemblies and pan-genome microarrays are analyzed in a combinatorial fashion to determine relatedness of 33 Salmonella enterica strains to six strains collected as part of an outbreak investigation. Use-case scenario three utilizes published surveillance results that describe the incidence and sources of O157:H7 E. coli isolates associated with a produce pre-harvest surveillance study that occurred during 2002-2006. In summary, PATRN is a web-based integrated platform containing tools for the management, analysis and visualization of data about foodborne pathogens. Published by Elsevier Ltd. C1 [Gopinath, G.; Mammel, M. K.; Kothary, M. H.; Franco, A. A.; Grim, C. J.; Jarvis, K. G.; Sathyamoorthy, V.; Hu, L.; Datta, A. R.; Patel, I. R.; Jackson, S. A.; Gangiredla, J.; Kotewicz, M. L.; LeClerc, J. E.; Wekell, M.; McCardell, B. A.; Solomotis, M. D.; Tall, B. D.] US FDA, CFSAN, Laurel, MD 20708 USA. [LeClerc, J. E.] US FDA, CFSAN, College Pk, MD 20740 USA. [Grim, C. J.; Jarvis, K. G.; Hu, L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Hari, K.; Jain, R.] cBio Inc, Fremont, CA USA. RP Tall, BD (reprint author), US FDA, MOD Facil 1, Virulence Mech Branch, Div Virulence Assessment,OARSA,Ctr Food Safety &, Room 3607,HFS 025,8301 MuirKirk Rd, Laurel, MD 20708 USA. EM ben.tall@fda.hhs.gov OI Tall, Ben/0000-0003-0399-3629 NR 61 TC 2 Z9 2 U1 3 U2 71 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0740-0020 EI 1095-9998 J9 FOOD MICROBIOL JI Food Microbiol. PD JUN PY 2013 VL 34 IS 2 BP 303 EP 318 DI 10.1016/j.fm.2013.01.001 PG 16 WC Biotechnology & Applied Microbiology; Food Science & Technology; Microbiology SC Biotechnology & Applied Microbiology; Food Science & Technology; Microbiology GA 126PO UT WOS:000317633600008 PM 23541197 ER PT J AU Rupp, EC Granite, EJ Stanko, DC AF Rupp, Erik C. Granite, Evan J. Stanko, Dennis C. TI Laboratory scale studies of Pd/gamma-Al2O3 sorbents for the removal of trace contaminants from coal-derived fuel gas at elevated temperatures SO FUEL LA English DT Article DE Gasification; Palladium; Arsine; Phosphine; Hydrogen selenide ID MERCURY CAPTURE; SURFACE CHARACTERIZATION; GASIFICATION SYSTEMS; FLUE-GAS; COMBUSTION; EMISSION; METAL AB The Integrated Gasification Combined Cycle (IGCC) is a promising technology for the use of coal in a clean and efficient manner. In order to maintain the overall efficiency of the IGCC process, it is necessary to clean the fuel gas of contaminants (sulfur, trace compounds) at warm (150-540 degrees C) to hot (> 540 degrees C) temperatures. Current technologies for trace contaminant (such as mercury) removal, primarily activated carbon based sorbents, begin to lose effectiveness above 100 degrees C, creating the need to develop sorbents effective at elevated temperatures. As trace elements are of particular environmental concern, previous work by this group has focused on the development of a Pd/gamma-Al2O3 sorbent for Hg removal. This paper extends the research to Se (as hydrogen selenide, H2Se), As (as arsine, AsH3), and P (as phosphine, PH3) which thermodynamic studies indicate are present as gaseous species under gasification conditions. Experiments performed under ambient conditions in He on 20 wt.% Pd/gamma-Al2O3 indicate the sorbent can remove the target contaminants. Further work is performed using a 5 wt.% Pd/gamma-Al2O3 sorbent in a simulated fuel gas (H-2, CO, CO2, N-2 and H2S) in both single and multiple contaminant atmospheres to gauge sorbent performance characteristics. The impact of H2O, Hg and temperature on sorbent performance is explored. Published by Elsevier Ltd. C1 [Rupp, Erik C.; Granite, Evan J.; Stanko, Dennis C.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Granite, EJ (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM Erik.Rupp@OR.NETL.DOE.GOV; Evan.Granite@NETL.DOE.GOV; Dennis.Stanko@NETL.DOE.GOV FU National Energy Technology Laboratory through a postdoctoral fellowship administered by the Oak Ridge Institute for Science and Education (ORISE); DOE Gasification Program FX Erik C. Rupp thanks the National Energy Technology Laboratory for financial support through a postdoctoral fellowship administered by the Oak Ridge Institute for Science and Education (ORISE). We thank our colleagues at Johnson Matthey for providing the Pd/Al2O3 sorbents and their suggestions during the course of the research. Funding support from the DOE Gasification Program is appreciated. References in this paper to any specific commercial product, process, or service, is to facilitate understanding and does not necessarily imply its endorsement by the US Department of Energy. NR 24 TC 11 Z9 14 U1 3 U2 40 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 J9 FUEL JI Fuel PD JUN PY 2013 VL 108 BP 131 EP 136 DI 10.1016/j.fuel.2010.12.013 PG 6 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 125TV UT WOS:000317565100017 ER PT J AU Siriwardane, R Tian, HJ Simonyi, T Poston, J AF Siriwardane, Ranjani Tian, Hanjing Simonyi, Thomas Poston, James TI Synergetic effects of mixed copper-iron oxides oxygen carriers in chemical looping combustion SO FUEL LA English DT Article DE Chemical looping combustion; Mixed metal oxide oxygen carriers for chemical looping combustion; Synergetic effects of mixed metal oxide oxygen carriers ID FLUIDIZED-BED REACTOR; REDUCTION CHARACTERISTICS; REACTION-KINETICS; UNCOUPLING CLOU; SYNTHESIS GAS; PARTICLES; CUFE2O4; COAL; REACTIVITY; OXIDATION AB Chemical looping combustion (CLC) is an emerging technology for clean energy production from fuels. CLC produces sequestration-ready CO2-streams without a significant energy penalty. Development of efficient oxygen carriers is essential to successfully operate a CLC system. Copper and iron oxides are promising candidates for CLC. Copper oxide possesses high reactivity but it has issues with particle agglomeration due to its low melting point. Even though iron oxide is an inexpensive oxygen carrier it has a slower reactivity. In this study, mixed metal oxide carriers containing iron and copper oxides were evaluated for coal and methane CLC. The components of CuO and Fe2O3 were optimized to obtain good reactivity while maintaining physical and chemical stability during cyclic reactions for methane-CLC and solid-fuel CLC. Compared with single metal oxygen carriers, the optimized Cu-Fe mixed oxide oxygen carriers demonstrated high reaction rate, better combustion conversion, greater oxygen usage and improved physical stability. Thermodynamic calculations, XRD, TGA, flow reactor studies and TPR experiments suggested that there is a strong interaction between CuO and Fe2O3 contributing to a synergistic effect during CLC reactions. The amount of oxygen release of the mixed oxide carrier in the absence of a fuel was similar to that of the single metal oxides. However, in the presence of fuels, the oxygen consumption and the reaction profiles of the mixed oxide carriers were significantly better than that of the single metal oxides. The nature of the fuel not only influenced the reactivity, but also the final reduction status of the oxygen carriers during chemical looping combustion. Cu oxide of the mixed oxide was fully reduced metallic copper with both coal and methane. Fe oxide of the mixed oxide was fully reduced Fe metal with methane but it was reduced to only FeO with coal. Possible mechanisms of how the presence of CuO enhances the reduction of Fe2O3 are discussed. Published by Elsevier Ltd. C1 [Siriwardane, Ranjani; Tian, Hanjing; Simonyi, Thomas; Poston, James] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Tian, Hanjing; Simonyi, Thomas] URS, Morgantown, WV 26505 USA. RP Siriwardane, R (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd,POB 880, Morgantown, WV 26507 USA. EM ranjani.siriwardane@netl.doe.gov NR 50 TC 25 Z9 28 U1 7 U2 95 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 J9 FUEL JI Fuel PD JUN PY 2013 VL 108 BP 319 EP 333 DI 10.1016/j.fuel.2013.01.023 PG 15 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 125TV UT WOS:000317565100040 ER PT J AU Katz, LE Criscenti, LJ Chen, CC Larentzos, JP Liljestrand, HM AF Katz, Lynn E. Criscenti, Louise J. Chen, Chia-chen Larentzos, James P. Liljestrand, Howard M. TI Temperature effects on alkaline earth metal ions adsorption on gibbsite: Approaches from macroscopic sorption experiments and molecular dynamics simulations SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE Gibbsite; Alkaline earth; Sorption; Molecular dynamics simulation; Temperature; Ionic strength ID RAY-ABSORPTION SPECTROSCOPY; OXIDE-SOLUTION INTERFACES; CALCIUM-CHLORIDE; SALT-SOLUTIONS; MEAN FORCE; WATER; SURFACES; CO(II); STRONTIUM; SR(II) AB Two approaches, macroscopic adsorption experiments and molecular dynamics simulations, were employed to study the effect of temperature on alkaline earth metals adsorption on gibbsite surfaces. Increased reaction temperature enhanced the extent of metal ion adsorption for all of the alkaline earth metals studied. Whereas Mg2+ and Sr2+ adsorption displayed dependence on ionic strength, Sr2+ adsorption exhibited less dependence on background ionic strength regardless of temperature. The ionic strength dependence was attributed to outer-sphere complexation reactions. The ionic strength effect on metal ion removal decreased with increasing temperature for both metals. Ba2+ removal by gibbsite, on the other hand, was not affected by ionic strength. Results from molecular dynamics simulations were in agreement with the findings of the experimental study. The amount of thermal energy required to remove waters of hydration from the metal cation and the ratio of outer-sphere to inner-sphere complexation decreased with increasing ionic radii. It was observed from both macroscopic and molecular approaches that the tendency to form inner-sphere complexes on gibbsite decreased in the order: Be2+ > Sr2+ > Mg2+ and that the common assumption that alkaline earth metal ions form outer-sphere complexes appears to be dependent on ionic radius and temperature. (C) 2012 Elsevier Inc. All rights reserved. C1 [Katz, Lynn E.; Chen, Chia-chen; Liljestrand, Howard M.] Univ Texas Austin, Dept Civil Architectural & Environm Engn, Austin, TX 78712 USA. [Criscenti, Louise J.] Sandia Natl Labs, Geochem Dept, Albuquerque, NM 87109 USA. [Larentzos, James P.] High Performance Technol Inc, Reston, VA 20190 USA. RP Katz, LE (reprint author), Univ Texas Austin, Dept Civil Architectural & Environm Engn, 1 Univ Stn C1786, Austin, TX 78712 USA. EM lynnkatz@mail.utexas.edu; ljcrisc@sandia.gov; chiacc@mail.utexas.edu; jlarentzos@hpti.com; liljestrand@mail.utexas.edu FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences at Sandia National Laboratories; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences at UT-Austin [DE-FG02-04ER15495]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Mimi Yu and Hsiu-Chuan Lin for carrying out the macroscopic sorption experiments. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences both at Sandia National Laboratories and through Grant No. DE-FG02-04ER15495 at UT-Austin. 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 49 TC 7 Z9 7 U1 3 U2 70 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD JUN 1 PY 2013 VL 399 BP 68 EP 76 DI 10.1016/j.jcis.2012.05.011 PG 9 WC Chemistry, Physical SC Chemistry GA 128ZW UT WOS:000317809200010 PM 23540825 ER PT J AU Hirth, JP Pond, RC Hoagland, RG Liu, XY Wang, J AF Hirth, J. P. Pond, R. C. Hoagland, R. G. Liu, X. -Y. Wang, J. TI Interface defects, reference spaces and the Frank-Bilby equation SO PROGRESS IN MATERIALS SCIENCE LA English DT Review ID PLANAR INTERPHASE BOUNDARIES; GRAIN-BOUNDARIES; EDGE DISLOCATION; MARTENSITIC TRANSFORMATIONS; PHASE-TRANSFORMATIONS; THIN-FILMS; CONTINUOUS DISTRIBUTIONS; MIGRATION MECHANISMS; ATOMIC MECHANISMS; CONTINUUM THEORY AB The physical basis for the Frank-Bilby equation is considered. Dual descriptions in terms of interface physics and mechanics are introduced. Natural (NDP), commensurate (COP) and rotated (RCDP) dichromatic patterns are introduced. Burgers vectors are defined by symmetry operations or circuits in the CDP and RCDP. Structures are described for misfit arrays, tilt arrays, twist arrays, disconnections and combinations of these defects. The concepts of partitioning of elastic distortions, array energies, node formation, and the lateral spreading of defects within interfaces are considered. Examples with analytical solutions, numerical solutions and iterative solutions are presented. We elucidate some principles that emerge from the solutions and present reasons why some results differ from other methods of analysis. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Hirth, J. P.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. [Pond, R. C.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EXA 4QF, Devon, England. [Hoagland, R. G.; Liu, X. -Y.; Wang, J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Pond, RC (reprint author), Sandygate, Coombe Cottage, Exeter EX2 7JL, Devon, England. EM r.c.pond@exeter.ac.uk RI Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Sciences; US Department of Energy, Office of Basic Sciences FX This research was supported by the US Department of Energy, Office of Sciences. Office of Basic Sciences. The authors are grateful for support and beneficial input from A. Misra; for specific contributions from M.J. Demkowicz and J. Lothe; for helpful comments from R.W. Balluffi, R. Bullough and C.N. Tome; and for stimulating questions from P.M. Kelly. NR 153 TC 61 Z9 61 U1 7 U2 112 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0079-6425 J9 PROG MATER SCI JI Prog. Mater. Sci. PD JUN PY 2013 VL 58 IS 5 BP 749 EP 823 DI 10.1016/j.pmatsci.2012.10.002 PG 75 WC Materials Science, Multidisciplinary SC Materials Science GA 129YM UT WOS:000317879900004 ER PT J AU Herman, GS Zehr, RT Henderson, MA AF Herman, Gregory S. Zehr, Robert T. Henderson, Michael A. TI Characterization of oxygen and titanium diffusion at the anatase TiO2(001) surface SO SURFACE SCIENCE LA English DT Article DE TiO2; Anatase; Diffusion; SIMS; Memristor ID RUTILE TIO2(110); TIO2; WATER; BULK; PERSPECTIVE; MECHANISM; CHANNELS; DEFECTS; DIOXIDE; SCIENCE AB The diffusion of intrinsic defects in a single crystal anatase TiO2(001) film was explored by isotopic labeling and static secondary ion mass spectrometry. Using both Ti-48 and O-18 as isotopic labels, we show that the anatase surface responds to redox imbalances by diffusion of both Ti and O into the bulk under vacuum reduction and (at least) Ti from the bulk to the surface during oxidation. The diffusion of Ti between the bulk and surface in anatase TiO2(001) closely resembles what was observed in the literature for the rutile TiO2(110) surface, however the latter is not known to have oxygen diffusion between the bulk and surface under typical ultrahigh vacuum conditions. We speculate that the open lattice of the anatase bulk structure may facilitate independent diffusion of both point defects (Ti interstitials and O vacancies) or concerted diffusion of "TiO" subunits. (C) 2013 Elsevier B.V. All rights reserved. C1 [Herman, Gregory S.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. [Zehr, Robert T.; Henderson, Michael A.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Herman, GS (reprint author), Oregon State Univ, Sch Chem Biol & Environm Engn, 102 Gleeson Hall, Corvallis, OR 97331 USA. EM greg.herman@oregonstate.edu; ma.henderson@pnnl.gov FU U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; Office of Naval Research [200CAR262]; Oregon Nanoscience and Microtechnologies Institute; U.S. DOE [DE05-AC76RL0 1830]; U.S. DOE Office of Biological and Environmental Research FX The authors gratefully acknowledge S.A. Chambers of Pacific Northwest National Laboratory (PNNL) for providing the anatase samples. This research was supported by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, the Office of Naval Research Contract Number 200CAR262, and the Oregon Nanoscience and Microtechnologies Institute. PNNL is operated for the U.S. DOE by Battelle under Contract Number DE05-AC76RL0 1830. The research was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility funded by the U.S. DOE Office of Biological and Environmental Research. NR 46 TC 1 Z9 1 U1 7 U2 154 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2013 VL 612 BP L5 EP L8 DI 10.1016/j.susc.2013.02.006 PG 4 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 128ZV UT WOS:000317809100002 ER PT J AU Keromnes, A Metcalfe, WK Heufer, KA Donohoe, N Das, AK Sung, CJ Herzler, J Naumann, C Griebel, P Mathieu, O Krejci, MC Petersen, EL Pitz, WJ Curran, HJ AF Keromnes, Alan Metcalfe, Wayne K. Heufer, Karl A. Donohoe, Nicola Das, Apurba K. Sung, Chih-Jen Herzler, Juergen Naumann, Clemens Griebel, Peter Mathieu, Olivier Krejci, Michael C. Petersen, Eric L. Pitz, William J. Curran, Henry J. TI An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures SO COMBUSTION AND FLAME LA English DT Article DE Hydrogen; Syngas; Kinetic mechanism; Ignition delay times; Flame speed ID RAPID COMPRESSION MACHINE; CO/H-2 FUEL BLENDS; SHOCK-TUBE; RATE CONSTANTS; HIGH-TEMPERATURE; GAS-PHASE; 1ST-PRINCIPLE CALCULATION; DIFFUSION-COEFFICIENTS; RECOMBINATION REACTION; IGNITION PROPERTIES AB The oxidation of syngas mixtures was investigated experimentally and simulated with an updated chemical kinetic model. Ignition delay times for H-2/CO/O-2/N-2/Ar mixtures have been measured using two rapid compression machines and shock tubes at pressures from I to 70 bar, over a temperature range of 914-2220 K and at equivalence ratios from 0.1 to 4.0. Results show a strong dependence of ignition times on temperature and pressure at the end of the compression; ignition delays decrease with increasing temperature, pressure, and equivalence ratio. The reactivity of the syngas mixtures was found to be governed by hydrogen chemistry for CO concentrations lower than 50% in the fuel mixture. For higher CO concentrations, an inhibiting effect of CO was observed. Flame speeds were measured in helium for syngas mixtures with a high CO content and at elevated pressures of 5 and 10 atm using the spherically expanding flame method. A detailed chemical kinetic mechanism for hydrogen and H-2/CO (syngas) mixtures has been updated, rate constants have been adjusted to reflect new experimental information obtained at high pressures and new rate constant values recently published in the literature. Experimental results for ignition delay times and flame speeds have been compared with predictions using our newly revised chemical kinetic mechanism, and good agreement was observed. In the mechanism validation, particular emphasis is placed on predicting experimental data at high pressures (up to 70 bar) and intermediate- to high-temperature conditions, particularly important for applications in internal combustion engines, and gas turbines. The reaction sequence H-2 + H(O) over dot(2) <-> (H) over dot + H2O2 followed by H2O2 (+M) <-> (O) over dotH + (O) over dotH (+M) was found to play a key role in hydrogen ignition under high-pressure and intermediate-temperature conditions. The rate constant for H-2 + H(O) over dot(2) showed strong sensitivity to high-pressure ignition times and has considerable uncertainty, based on literature values. A rate constant for this reaction is recommended based on available literature values and on our mechanism validation. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Keromnes, Alan; Metcalfe, Wayne K.; Heufer, Karl A.; Donohoe, Nicola; Curran, Henry J.] Natl Univ Ireland, Combust Chem Ctr, Galway, Ireland. [Das, Apurba K.] Case Western Reserve Univ, Dept Mech & Aerosp Engn, Cleveland, OH 44106 USA. [Das, Apurba K.; Sung, Chih-Jen] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. [Herzler, Juergen; Naumann, Clemens; Griebel, Peter] German Aerosp Ctr DLR, Inst Combust Technol, Stuttgart, Germany. [Mathieu, Olivier; Krejci, Michael C.; Petersen, Eric L.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Keromnes, A (reprint author), Univ Burgundy, ISAT, 49 Rue Mlle Bourgeois, F-58027 Nevers, France. EM alan.keromnes@u-bourgogne.fr RI Petersen, Eric/M-3609-2014; Heufer, Karl Alexander/O-3892-2014; OI Petersen, Eric/0000-0002-4572-5916; Mathieu, Olivier/0000-0002-8658-6326; Curran, Henry/0000-0002-5124-8562 FU European Commission; Science Foundation Ireland; Saudi Arabian Oil Company; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Department of Energy [DE-FE0004679]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001198] FX The NUIG and DLR work is part of the European Project H2-IGCC funded by the European Commission and funding is gratefully acknowledged. Additional funding provided by Science Foundation Ireland and the Saudi Arabian Oil Company. The LNLL work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The TAMU work is based upon work supported by the Department of Energy under Award DE-FE0004679. The authors thank C.J. Aul for his help in performing some of the shock-tube experiments, and A. Vissotski, D. Plichta, and S. Ravi for help with the flame speed experiments. A.K. Das and C.J. Sung acknowledge the support for their work at UConn from 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 DE-SC0001198. NR 94 TC 105 Z9 108 U1 10 U2 131 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JUN PY 2013 VL 160 IS 6 BP 995 EP 1011 DI 10.1016/j.combustflame.2013.01.001 PG 17 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 127LS UT WOS:000317701100002 ER PT J AU Duarte, M Descombes, S Tenaud, C Candel, S Massot, M AF Duarte, Max Descombes, Stephane Tenaud, Christian Candel, Sebastien Massot, Marc TI Time-space adaptive numerical methods for the simulation of combustion fronts SO COMBUSTION AND FLAME LA English DT Article DE Laminar flames; Time operator splitting; Space adaptive multiresolution; Time adaptive integration; Error control ID PARTIAL-DIFFERENTIAL-EQUATIONS; TURBULENT PREMIXED COMBUSTION; HYPERBOLIC CONSERVATION-LAWS; TABULATED CHEMISTRY MODEL; CHEMICALLY REACTING FLOWS; MULTISCALE REACTION WAVES; COMPACT SCHEME SOLVER; RUNGE-KUTTA METHODS; DIFFUSION FLAME; EFFICIENT IMPLEMENTATION AB This paper presents a new computational strategy for the simulation of combustion fronts based on adaptive time operator splitting and spatial multiresolution. High-order and dedicated one-step solvers compose the splitting scheme for the reaction, diffusion, and convection subproblems, to independently cope with their inherent numerical difficulties and to properly solve the corresponding temporal scales. Adaptive and thus highly compressed spatial representations for localized fronts originating from multiresolution analysis result in important reductions of memory usage, and hence numerical simulations with sufficiently fine spatial resolution can be performed with standard computational resources. The computational efficiency is further enhanced by splitting time steps established beyond standard stability constraints associated to mesh size or stiff source time scales. The splitting time steps are chosen according to a dynamic splitting technique relying on solid mathematical foundations, which ensures error control of the time integration and successfully discriminates time-varying multi-scale physics. For a given semi-discretized problem, the solution scheme provides dynamic accuracy estimates that reflect the quality of numerical results in terms of numerical errors of integration and compressed spatial representations, for general multi-dimensional problems modeled by stiff PDEs. The strategy is efficiently applied to simulate the propagation of laminar premixed flames interacting with vortex structures, as well as various configurations of self-ignition processes of diffusion flames in similar vortical hydrodynamics fields. A detailed study of the error control is provided and show the potential of the approach. It yields large gains in CPU time, while consistently describing a broad spectrum of space and time scales as well as different physical scenarios. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Duarte, Max; Candel, Sebastien; Massot, Marc] Ecole Cent Paris, Lab EM2C, UPR CNRS 288, F-92295 Chatenay Malabry, France. [Duarte, Max; Descombes, Stephane] Univ Nice Sophia Antipolis, Lab Math JA Dieudonne UMR CNRS UNSA 7351, F-06108 Nice 02, France. [Tenaud, Christian] LIMSI UPR CNRS 3251, F-91403 Orsay, France. [Massot, Marc] Stanford Univ, Ctr Turbulence Res, Stanford, CA 94305 USA. RP Duarte, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM max.duarte@unice.fr; stephane.descombes@unice.fr; christian.tenaud@limsi.fr; sebastien.candel@ecp.fr; marc.massot@ecp.fr FU ANR (French National Research Agency - ANR Blancs): Sechelles; DIGITEO RTRA project FX This research was supported by a fundamental project grant from ANR (French National Research Agency - ANR Blancs): Sechelles (PI S. Descombes - 2009-2013) and by a DIGITEO RTRA project: MUSE (PI M. Massot - 2010-2014). The support of the France-Stanford Center for Interdisciplinary Studies through a collaborative project grant entitled "Multi-scale mathematical modeling and numerical methods for multiphase and reactive flows" (PIs: P. Moin and M. Massot) has been very helpful. We also acknowledge the computational resources of the Mesocentre of Ecole Centrale Paris where some of the simulations were performed. NR 87 TC 6 Z9 6 U1 3 U2 28 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 JUN PY 2013 VL 160 IS 6 BP 1083 EP 1101 DI 10.1016/j.combustflame.2013.01.013 PG 19 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 127LS UT WOS:000317701100009 ER PT J AU Ams, DA Swanson, JS Szymanowski, JES Fein, JB Richmann, M Reed, DT AF Ams, David A. Swanson, Juliet S. Szymanowski, Jennifer E. S. Fein, Jeremy B. Richmann, Michael Reed, Donald T. TI The effect of high ionic strength on neptunium (V) adsorption to a halophilic bacterium SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID FINE-STRUCTURE SPECTROSCOPY; BACILLUS-SUBTILIS CELLS; SURFACE COMPLEXATION; BIOLOGICAL REDUCTION; METAL ADSORPTION; PROTON BINDING; CD ADSORPTION; PH; HYDROLYSIS; TRANSPORT AB The mobility of neptunium (V) in subsurface high ionic strength aqueous systems may be strongly influenced by adsorption to the cell wall of the halophilic bacteria Chromohalobacter sp. This study is the first to evaluate the adsorption of neptunium (V) to the surface of a halophilic bacterium as a function of pH from approximately 2 to 10 and at ionic strengths of 2 and 4 M. This is also the first study to evaluate the effects of carbonate complexation with neptunium (V) on adsorption to whole bacterial cells under high pH conditions. A thermodynamically-based surface complexation model was adapted to describe experimental adsorption data under high ionic strength conditions where traditional corrections for aqueous ion activity are invalid. Adsorption of neptunium (V) was rapid and reversible under the conditions of the study. Adsorption was significant over the entire pH range evaluated for both ionic strength conditions and was shown to be dependent on the speciation of the sites on the bacterial surface and neptunium (V) in solution. Adsorption behavior was controlled by the relatively strong electrostatic attraction of the positively charged neptunyl ion to the negatively charged bacterial surface at pH below circum-neutral. At pH above circum-neutral, the adsorption behavior was controlled by the presence of negatively charged neptunium (V) carbonate complexes resulting in decreased adsorption, although adsorption was still significant due to the adsorption of negatively charged neptunyl-carbonate species. Adsorption in 4M NaClO4 was enhanced relative to adsorption in 2 M NaClO4 over the majority of the pH range evaluated, likely due to the effect of increasing aqueous ion activity at high ionic strength. The protonation/deprotonation characteristics of the cell wall of Chromohalobacter sp. were evaluated by potentiometric titrations in 2 and 4 M NaClO4. Bacterial titration results indicated that Chromohalobacter sp. exhibits similar proton buffering capacity to previously studied non-halophilic bacteria. The titration data were used to determine the number of types, concentrations, and associated deprotonation constants of functional groups on the bacterial surface; the neptunium adsorption measurements were used to constrain binding constant values for the important neptunium (V)-bacterial surface species. Together, these results can be incorporated into geochemical speciation models to aid in the prediction of neptunium (V) mobility in complex bacteria-bearing geochemical systems. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Ams, David A.; Swanson, Juliet S.; Richmann, Michael; Reed, Donald T.] Los Alamos Natl Lab, Earth & Environm Sci Div, Carlsbad, NM 88220 USA. [Szymanowski, Jennifer E. S.; Fein, Jeremy B.] Univ Notre Dame, Dept Civil Engn & Geol Sci, Notre Dame, IN 46556 USA. RP Ams, DA (reprint author), Los Alamos Natl Lab, Actinide Chem & Repository Sci Program, Earth & Environm Sci Div 12, 115 N Main St, Carlsbad, NM 88220 USA. EM dams@lanl.gov OI Szymanowski, Jennifer/0000-0002-4052-6301 FU United States Department of Energy-Carlsbad Field Office; Russ Patterson (DOE-CBFO) FX This research was sponsored by the United States Department of Energy-Carlsbad Field Office and supports the ongoing WIPP actinide research program. This work was performed at the New Mexico State University (NMSU) Carlsbad Environmental Monitoring and Research Center (CEMRC) as part of the Los Alamos National Laboratory Actinide Chemistry and Repository Science Program (ACRSP). The authors wish to acknowledge Russ Patterson (DOE-CBFO) for program support and Marian Borkowski and Hnin Khaing (ACRSP) for insightful discussion. NR 52 TC 6 Z9 6 U1 6 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JUN 1 PY 2013 VL 110 BP 45 EP 57 DI 10.1016/j.gca.2013.01.024 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 123IH UT WOS:000317381100004 ER PT J AU Makide, K Nagashima, K Krot, AN Huss, GR Hutcheon, ID Hellebrand, E Petaev, MI AF Makide, Kentaro Nagashima, Kazuhide Krot, Alexander N. Huss, Gary R. Hutcheon, Ian D. Hellebrand, Eric Petaev, Michail I. TI Heterogeneous distribution of Al-26 at the birth of the Solar System: Evidence from corundum-bearing refractory inclusions in carbonaceous chondrites SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID OXYGEN ISOTOPIC COMPOSITION; ALUMINUM-RICH INCLUSIONS; SHORT-LIVED RADIONUCLIDES; PRIMITIVE METEORITES; PROTOPLANETARY DISK; MURCHISON METEORITE; ORIGIN; CHONDRULES; SUPERNOVA; NEBULA AB We report on the mineralogy, petrology, and in situ oxygen- and magnesium-isotope measurements using secondary ion mass spectrometry of 10 corundum-bearing calcium-aluminum-rich inclusions (CAIs) from the Adelaide (ungrouped), Murray and Murchison (CM) carbonaceous chondrites. We also measured in situ oxygen-isotope compositions of several isolated corundum grains in the matrices of Murray and Murchison. Most of the corundum-bearing objects studied are uniformly O-16-rich [Delta O-17 values range from -17 parts per thousand to -28 parts per thousand (2 sigma = +/- 2.5 parts per thousand) (Delta O-17(avr) = -23 +/- 5 parts per thousand)] , suggesting that they formed in a O-16-rich gas of approximately solar composition and largely avoided subsequent thermal processing in an O-16-poor gaseous reservoir. There is a large spread of the initial Al-26/Al-27 ratio [(Al-26/Al-27)(0)] in the corundum-bearing CAIs. Two Adelaide CAIs show no resolvable excess of radiogenic Mg-26 (delta Mg-26(*)): the inferred (Al-26/Al-27)(0) are (0.6 +/- 2.0) x10(-6) and (-0.9 +/- 1.2) x10(-6), respectively. Slopes of the model Al-26-Mg-26 isochrons in five CAIs from Murray and Murchison are (4.4 +/- 0.2) x10(-5), (3.3 +/- 0.3) x10(-5), (4.1 +/- 0.3) x10(-5), (3.9 +/- 0.4) x10(-5), and (4.0 +/- 2.0) x10(-6), respectively. These values are lower than the canonical (Al-26/Al-27)(0) ratio of (5.23 +/- 0.13) x10(-5) inferred from the whole-rock magnesium-isotope measurements of the CV CAIs, but similar to the (Al-26/Al-27)(0) ratio of (4.1 +/- 0.2) x10(-5) in the corundum-bearing CAI F5 from Murray. Five other previously studied corundum-bearing CAIs from Acfer 094 (ungrouped) and CM carbonaceous chondrites showed no resolvable delta Mg-26(*). We conclude that the corundum-bearing CAIs, as well as the solar corundum grains from matrices and acid-resistant residues of unequilibrated ordinary and carbonaceous chondrites, recorded heterogeneous distribution of Al-26 in the Solar System during an epoch of CAI formation. The Al-26-rich and Al-26-poor corundum-bearing CAIs and solar corundum grains represent different generations of refractory objects formed during this epoch. As a result, its duration cannot be inferred from Al-26-Mg-26 systematics of CAIs. Oxygen-isotope composition of the protoplanetary disk was probably heterogeneous during this time reflecting either initial differences in oxygen isotopic compositions of the solid and gaseous reservoirs in the early Solar System or rapid isotopic evolution of these reservoirs in the protoplanetary disk with time. We suggest that Al-26 was injected into the protosolar molecular cloud core, possibly by a wind from a neighboring massive star or by or a low-mass asymptotic giant branch star, prior to formation of CAIs and refractory grains, and was subsequently homogenized through the protoplanetary disk by radial mixing. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Makide, Kentaro; Nagashima, Kazuhide; Krot, Alexander N.; Huss, Gary R.] Univ Hawaii Manoa, Sch Ocean Earth Sci & Technol, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Makide, Kentaro] Gakushuin Univ, Toshima Ku, Tokyo 1718588, Japan. [Hutcheon, Ian D.] Lawrence Livermore Natl Lab, Glenn Seaborg Inst, Livermore, CA 94551 USA. [Hellebrand, Eric] Univ Hawaii Manoa, Sch Ocean Earth Sci & Technol, Dept Geol & Geophys, Honolulu, HI 96822 USA. [Petaev, Michail I.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. RP Krot, AN (reprint author), Univ Hawaii Manoa, Sch Ocean Earth Sci & Technol, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. EM sasha@higp.hawaii.edu RI Hellebrand, Eric/L-2898-2013 FU NASA [NNX12AJ01G, NNX12AH76G, NNX11AG78G, NNX07AM84G SRLIDAP, NNH04AB47I] FX This work was supported by NASA grants NNX12AJ01G and NNX12AH76G (A. N. Krot, P.I.), NNX11AG78G (G. R. Huss, P.I.), NNX07AM84G SRLIDAP (K. Nagashima, P.I.), and NNH04AB47I (I. D. Hutcheon, P.I.). We thank Dr. E. Young for measuring magnesium concentration in a corundum standard. Constructive reviews by Dr. T. Ushikubo and Dr. M.-C. Liu and editorial handling by Dr. S. S. Russell are highly appreciated. This is Hawai'i Institute of Geophysics and Planetology publication No. 2007 and School of Ocean and Earth Science and Technology publication No. 8888. NR 93 TC 9 Z9 9 U1 4 U2 40 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 JUN 1 PY 2013 VL 110 BP 190 EP 215 DI 10.1016/j.gca.2013.01.028 PG 26 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 123IH UT WOS:000317381100012 ER PT J AU Wagoner, RH Lim, H Lee, MG AF Wagoner, Robert H. Lim, Hojun Lee, Myoung-Gyu TI Advanced Issues in springback SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Springback; Constitutive behavior; Metallic material; Finite elements; Numerical algorithms ID MAGNESIUM ALLOY SHEET; STRAIN-PATH CHANGES; ANISOTROPIC/ASYMMETRIC HARDENING BEHAVIOR; THROUGH-THICKNESS INTEGRATION; FINITE-ELEMENT SIMULATION; METAL-FORMING PROCESSES; TENSION FRICTION TEST; HIGH-STRENGTH STEELS; DRAW BEND TEST; PLASTICITY MODEL AB For purposes of this review, springback is the elastically driven change of shape of a metal sheet during unloading and following forming. Scientific advances related to this topic have accelerated dramatically over roughly the last decade, since the publication of two reviews in the 2004-2006 timeframe (Wagoner, 2004; Wagoner et al., 2006). The current review focuses on the period following those publications, and on work in the first author's laboratory. Much of this recent work can be categorized into five main topics. (1) Plastic constitutive equations (2) Variable Young's modulus (3) Through-thickness integration of stress (4) Magnesium (5) Advanced high strength steels (AHSS) The first two subjects are related to accurate material representation, the third to numerical procedures, and the last two to particular classes of sheet materials. The principal contributions in these areas were summarized and put into context. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Wagoner, Robert H.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Lim, Hojun] Sandia Natl Labs, Computat Mat Sci & Engn Dept, Albuquerque, NM 87185 USA. [Lee, Myoung-Gyu] Pohang Univ Sci & Technol POSTEC, Grad Inst Ferrous Technol, Pohang 790784, Gyeongbuk, South Korea. RP Wagoner, RH (reprint author), Ohio State Univ, Dept Mat Sci & Engn, 116 W 19th Ave, Columbus, OH 43210 USA. EM wagoner.2@osu.edu FU National Science Foundation [CMMI 0727641]; Department of Energy [DE-FC26-02OR22910]; Auto/Steel Partnership; National Research Foundation of Korea [NRF-2010-220-D00037] FX This work was supported by the National Science Foundation (Grant CMMI 0727641), the Department of Energy (Contact DE-FC26-02OR22910), the Auto/Steel Partnership, and the National Research Foundation of Korea (Grant NRF-2010-220-D00037). Thanks are due the many authors whose work was cited here. Special acknowledgement to collaborators who contributed to this work extensively over many years: Kwansoo Chung (Seoul National University), David K. Matlock (Colorado School of Mines), Michael L Wenner (G. M. Research, retired), James G. Schroth (G.M. Research), James R. Fekete (formerly General Motors, now at NIST Boulder), Sean R. Agnew (University of Virginia), Thomas B. Stoughton (G. M. Research), Fredric Barlat (Pohang University of Science and Technology), and Myoung-Gyu Lee (formerly of Ohio State University, now at Pohang University of Science and Technology). NR 224 TC 61 Z9 69 U1 8 U2 85 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 JUN PY 2013 VL 45 SI SI BP 3 EP 20 DI 10.1016/j.ijplas.2012.08.006 PG 18 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 126QL UT WOS:000317636200002 ER PT J AU Fritz, BG Phillips, NRJ AF Fritz, Brad G. Phillips, Nathan R. J. TI Use of CAP88 PC to infer differences in the chemical form of I-129 emitted from a fuel reprocessing facility SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Iodine; Modeling; Chemical form ID HANFORD SITE; IODINE; ACTIVATION AB Emissions of I-129 from nuclear fuel separations conducted at the Hanford Site in Washington State have been occurring since the 1940's. Fuel separation on the Hanford Site stopped in 1988, but emissions of I-129 have continued as venting of the PUREX Plant occurred. In this study, atmospheric measurements of I-129 concentrations were coupled with an EPA approved plume dispersion model (CAP88-PC, Version 3.0) to evaluate the effectiveness of the dispersion model for estimating ambient concentrations at the Hanford Site. This evaluation led to the hypothesis that different chemical forms of iodine were being emitted over the years; this hypothesis was developed as an explanation for the model agreeing with measurements over some time periods, but not over all time periods. The model was then run with modified emissions to simulate the short atmospheric half-life of the suspected reactive chemical form of iodine being emitted. This modification resulted in good agreement between the modeled and measured concentrations over the entire 20 year study period (1986-2005), and provided evidence supporting the hypothesis of a reactive form of iodine being emitted. Published by Elsevier Ltd. C1 [Fritz, Brad G.; Phillips, Nathan R. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fritz, BG (reprint author), Pacific NW Natl Lab, POB 999,MS K6-75, Richland, WA 99352 USA. EM bradley.fritz@pnl.gov; nathan.phillips@pnl.gov NR 19 TC 0 Z9 0 U1 0 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD JUN PY 2013 VL 120 BP 1 EP 5 DI 10.1016/j.jenvrad.2013.01.015 PG 5 WC Environmental Sciences SC Environmental Sciences & Ecology GA 124DY UT WOS:000317445200001 PM 23395750 ER PT J AU Michelotti, EA Whicker, JJ Eisele, WF Breshears, DD Kirchner, TB AF Michelotti, Erika A. Whicker, Jeffrey J. Eisele, William F. Breshears, David D. Kirchner, Thomas B. TI Modeling aeolian transport of soil-bound plutonium: considering infrequent but normal environmental disturbances is critical in estimating future dose SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Environmental disturbance; Climate change; Soil; Sediment; Contaminant transport ID CLIMATE-CHANGE; WIND EROSION; FOREST WILDFIRE; UNITED-STATES; NEW-MEXICO; MANAGEMENT; VEGETATION; SUCCESSION; GRASSLAND; FRAMEWORK AB Dose assessments typically consider environmental systems as static through time, but environmental disturbances such as drought and fire are normal, albeit infrequent, events that can impact dose-influential attributes of many environmental systems. These phenomena occur over time frames of decades or longer, and are likely to be exacerbated under projected warmer, drier climate. As with other types of dose assessment, the impacts of environmental disturbances are often overlooked when evaluating dose from aeolian transport of radionuclides and other contaminants. Especially lacking are predictions that account for potential changing vegetation cover effects on radionuclide transport over the long time frames required by regulations. A recently developed dynamic wind-transport model that included vegetation succession and environmental disturbance provides more realistic long-term pre-dictability. This study utilized the model to estimate emission rates for aeolian transport, and compare atmospheric dispersion and deposition rates of airborne plutonium-contaminated soil into neighboring areas with and without environmental disturbances. Specifically, the objective of this study was to utilize the model results as input for a widely used dose assessment model (CAP-88). Our case study focused on low levels of residual plutonium found in soils from past operations at Los Alamos National Laboratory (LANL), in Los Alamos, NM, located in the semiarid southwestern USA. Calculations were conducted for different disturbance scenarios based on conditions associated with current climate, and a potential future drier and warmer climate. Known soil and sediment concentrations of plutonium were used to model dispersal and deposition of windblown residual plutonium, as a function of distance and direction. Environmental disturbances that affected vegetation cover included ground fire, crown fire, and drought, with reoccurrence rates for current climate based on site historical patterns. Using site-specific meteorology, accumulation rates of plutonium in soil were modeled in a variety of directions and distances from LANL sources. Model results suggest that without disturbances, areas downwind to the contaminated watershed would accumulate LANL-derived plutonium at a relatively slow rate (<0.01 Bq m(-2) yr(-1)). However, model results under more realistic assumptions that include environmental disturbances show accumulation rates more than an order-of-magnitude faster. More generally, this assessment highlights the broader need in radioecology and environmental health physics to consider infrequent but normal environmental disturbances in longer-term dose assessments. Published by Elsevier Ltd. C1 [Michelotti, Erika A.; Whicker, Jeffrey J.; Eisele, William F.] Los Alamos Natl Lab, Environm Stewardship Grp, Los Alamos, NM 87544 USA. [Breshears, David D.] Univ Arizona, Sch Nat Resources & Environm, Tucson, AZ 85721 USA. [Breshears, David D.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. [Kirchner, Thomas B.] New Mexico State Univ, Las Cruces, NM 88003 USA. RP Whicker, JJ (reprint author), Los Alamos Natl Lab, Environm Stewardship Grp, Mail Stop J978, Los Alamos, NM 87544 USA. EM whicker_jeffrey_j@lanl.gov RI Breshears, David/B-9318-2009 OI Breshears, David/0000-0001-6601-0058 FU Department of Energy [W7405 ENG-36]; National Science Foundation [EAR-0724958]; Arizona Agricultural Experiment Station FX This work was funded primarily through the Department of Energy under contract W7405 ENG-36. Additional support for David D. Breshears was provided through the National Science Foundation (EAR-0724958) and Arizona Agricultural Experiment Station. NR 47 TC 1 Z9 1 U1 2 U2 25 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD JUN PY 2013 VL 120 BP 73 EP 80 DI 10.1016/j.jenvrad.2013.01.011 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 124DY UT WOS:000317445200011 PM 23455230 ER PT J AU Sanchez, AL Hubbard, JA Dellinger, JG Servantes, BL AF Sanchez, Andres L. Hubbard, Joshua A. Dellinger, Jennifer G. Servantes, Brandon L. TI Experimental Study of Electrostatic Aerosol Filtration at Moderate Filter Face Velocity SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID ELECTRICALLY CHARGED FIBER; FORCE MICROSCOPY; ELECTRET FILTERS; FIBROUS FILTERS; EFFICIENCY; PARTICLES; DENSITY; PERFORMANCE; PENETRATION; COLLECTION AB Aerosol collection efficiency was studied for electrostatically charged fibrous filters (3M Filtrete, BMF-20F). In this study, collection efficiencies at moderate filter face velocities (0.52.5m/s) representative of some high volume sampling applications was characterized. Experimental data and analytical theories of filter performance are less common in this flow regime since the viscous flow field assumption may not be representative of actual flow through the filter mat. Additionally, electrostatic fiber charge density is difficult to quantify, and measurements of aerosol collection efficiency are often used to calculate this fundamental parameter. The purpose of this study was to assess the relative influence of diffusion, inertial impaction, interception, and electrostatic filtration on overall filter performance. The effects of fiber charge density were quantified by comparing efficiency data for charged and uncharged filter media, where an isopropanol bath was used to eliminate electrostatic charge. The effects of particle charge were also quantified by test aerosols brought into the equilibrium Boltzmann charge distribution, and then using an electrostatic precipitator to separate out only those test particles with a charge of zero. Electrostatically charged filter media had collection efficiencies as high as 7085% at 30nm. Filter performance was reduced significantly (4050% collection efficiency) when the electrostatic filtration component was eliminated. Experiments performed with zero charged NaCl particles showed that a significant increase in filter performance is attributable to an induction effect, where electrostatic fiber charge polarizes aerosol particles without charge. As filter face velocity increased the electrostatic filtration efficiency decreased since aerosol particles had less time to drift toward electrostatically charged fibers. Finally, experimental data at 0.5m/s were compared to theoretical predictions and good agreement was found for both electrostatic and nonelectrostatic effects. Copyright 2013 American Association for Aerosol Research C1 [Sanchez, Andres L.; Hubbard, Joshua A.; Dellinger, Jennifer G.; Servantes, Brandon L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sanchez, AL (reprint author), Sandia Natl Labs, POB 5800,MS 1135, Albuquerque, NM 87185 USA. EM asanch3@sandia.gov NR 25 TC 7 Z9 7 U1 8 U2 56 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD JUN 1 PY 2013 VL 47 IS 6 BP 606 EP 615 DI 10.1080/02786826.2013.778384 PG 10 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 122BQ UT WOS:000317290600003 ER PT J AU Santarpia, JL Ratnesar-Shumate, S Gilberry, JU Quizon, JJ AF Santarpia, Joshua L. Ratnesar-Shumate, Shanna Gilberry, Jerome U. Quizon, Jason J. TI Relationship Between Biologically Fluorescent Aerosol and Local Meteorological Conditions SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID AIRBORNE BACTERIA; FOREST; PARTICLES; EXCITATION; DIVERSE; AMAZON; URBAN AB Time-resolved characterization of biological aerosol is important both for understanding environmental processes that affect biological aerosols and for determining realistic test conditions for the evaluation of bioaerosol detection systems. Very little work has been done to develop an understanding of the temporal fluctuations in bioaerosol concentration. During an experiment from 110 November 2008 ambient biological aerosol and meteorological data were collected. A FLIR/ICx/S3I Instantaneous Bioaerosol Analysis and Collection sensor was used to count both the biological and nonbiological aerosol in two size bins. The data indicate that the ambient relative humidity affects the optically observable concentration of biological aerosol with higher relative humidity generally associated with higher biological aerosol concentrations. The short timescale over which these correlations exist implies an aerosol process, rather than a change in aerosol source. Copyright 2013 American Association for Aerosol Research C1 [Santarpia, Joshua L.; Ratnesar-Shumate, Shanna; Gilberry, Jerome U.; Quizon, Jason J.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. [Santarpia, Joshua L.] Sandia Natl Labs, Fire & Aerosol Sci Dept, Albuquerque, NM 87185 USA. RP Santarpia, JL (reprint author), Sandia Natl Labs, Fire & Aerosol Sci Dept, POB 5800,MS 1135, Albuquerque, NM 87185 USA. EM jsantar@sandia.gov NR 20 TC 6 Z9 6 U1 0 U2 21 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD JUN 1 PY 2013 VL 47 IS 6 BP 655 EP 661 DI 10.1080/02786826.2013.781263 PG 7 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 122BQ UT WOS:000317290600008 ER PT J AU Lopez-Yglesias, X Flagan, RC AF Lopez-Yglesias, Xerxes Flagan, Richard C. TI Population Balances of Micron-Sized Aerosols in a Bipolar Ion Environment SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID PARTICLES AB The present work re-examines the assumptions that are required for a steady-state charge distribution analysis to be valid. First, the common approximation that there are only 11 charge states available to the distribution is relaxed to allow for 201 charge states to be available to the particle distribution. This is found to have large repercussions on the behavior of the distribution for radii greater than 0.5 m. The steady-state assumption itself is then re-examined by calculating the time required to reach steady state for many different ion-pair production rates and initial particle charge states as a function of radius. In the steady-state model, the ion populations are often assumed to decouple completely from the aerosol; this is shown to be false throughout the troposphere. Finally, the number of positive and negative charge states needed to accurately model a particle population of a given size is determined. Copyright 2013 American Association for Aerosol Research C1 [Lopez-Yglesias, Xerxes] Sandia Natl Labs, Livermore, CA USA. [Flagan, Richard C.] CALTECH, Dept Chem Engn, Pasadena, CA 91125 USA. RP Flagan, RC (reprint author), CALTECH, Dept Chem Engn, Mail Code 210-41, Pasadena, CA 91125 USA. EM flagan@caltech.edu FU NASA Astrobiology Institute through the NAI at JPL [NAS7-03001]; Ayrshire Foundation FX We thank Andrew Downard for his time spent editing and discussing this manuscript. We would also like to thank the NASA Astrobiology Institute through the NAI Titan team managed at JPL under NASA Contract NAS7-03001 for the funding of this project, and the Ayrshire Foundation for their support in making computing resources available. NR 10 TC 3 Z9 3 U1 2 U2 20 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD JUN 1 PY 2013 VL 47 IS 6 BP 681 EP 687 DI 10.1080/02786826.2013.783683 PG 7 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 122BQ UT WOS:000317290600011 ER PT J AU Lopez-Yglesias, X Flagan, RC AF Lopez-Yglesias, Xerxes Flagan, Richard C. TI Ion-Aerosol Flux Coefficients and the Steady-State Charge Distribution of Aerosols in a Bipolar Ion Environment SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID CLUSTER-COLLISION FREQUENCY; PARTICLES; RANGE; NUCLEATION; MOBILITY; REGIME; SIZE AB Fuchs' theory, as corrected by Hoppel and Frick, is widely used to compute flux coefficients of ions to aerosol particles and the resultant charge distribution. We have identified approximations made in previous works that limit the theory's accuracy. Hoppel and Frick used two characteristic speeds or kinetic energies to calculate the flux coefficients of ions to aerosol particles in lieu of an average of the flux coefficients over the MaxwellBoltzmann distribution of ion speeds. In the present work, we show that this approximation artificially reduces the number of multiply charged particles. Ion capture may be enhanced by three-body trapping, a process wherein an ion has a collision with a neutral gas molecule and loses sufficient kinetic energy to be captured by the particle. The gas kinetic theory approach to three-body trapping has been refined to better account for the collision between the ion and a neutral gas molecule within the potential presented by the particle. Approximations to the calculation of energy losses and the probability of ion capture have been relaxed. The possibility that an image charge may be induced on the ion as well as on the particle is allowed. While the previous work was limited to electrically conductive particles, both the ion and the particle are allowed to have any dielectric constant in the present work, and the finite size of the ions is taken into account when calculating minimum capture radii for the ionparticle interactions. The resulting ion flux coefficients differ from previous results both in the low nanometer regime and in the continuum regime. We explore the influence of key parameters on the charge distribution, including dielectric constant, temperature, and pressure, to understand how operating conditions may affect the interpretation of differential mobility analyzer measurements of particle size distributions. Finally, an empirical expression for the new charge distribution is given to facilitate rapid calculations. Copyright 2013 American Association for Aerosol Research C1 [Lopez-Yglesias, Xerxes] Sandia Natl Labs, Livermore, CA USA. [Flagan, Richard C.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. RP Flagan, RC (reprint author), CALTECH, Mail Code 210-41, Pasadena, CA 91125 USA. EM flagan@caltech.edu FU NASA Astrobiology Institute through the NAI at JPL under NASA [NAS7-03001] FX The authors thank Lindsay Yee for her time spent editing and discussing this manuscript. They would also like to thank an anonymous reviewer for doing an outstanding job; the reviewer raised interesting scientific points that go well beyond the scope of the current work. Finally, the authors thank the NASA Astrobiology Institute through the NAI Titan team managed at JPL under NASA Contract NAS7-03001 for the funding of this project, and the Ayrshire Foundation for their support in making computing resources available. NR 29 TC 16 Z9 16 U1 3 U2 31 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD JUN 1 PY 2013 VL 47 IS 6 BP 688 EP 704 DI 10.1080/02786826.2013.783684 PG 17 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 122BQ UT WOS:000317290600012 ER PT J AU Pekala, M Wolff-Fabris, F Fagnard, JF Vanderbemden, P Mucha, J Gospodinov, MM Lovchinov, V Ausloos, M AF Pekala, M. Wolff-Fabris, F. Fagnard, J-F. Vanderbemden, Ph. Mucha, J. Gospodinov, M. M. Lovchinov, V. Ausloos, M. TI Magnetic properties and anisotropy of orthorhombic DyMnO3 single crystal SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Manganite; Magnetization; Magnetic anisotropy ID DEMAGNETIZING FACTORS; RECTANGULAR PRISMS; RMNO3 PEROVSKITES; POLARIZATION; EVOLUTION; MULTIFERROICS; DIFFRACTION; MANGANITES; HOMNO3 AB An orthorhombic DyMnO3 single crystal has been studied in magnetic fields up to 14 T and between 3 K and room temperature. The field dependent ordering temperature of Dy moments is deduced. The paramagnetic Curie Weiss behavior is related mainly to the Dy(3+)sublattice whereas the Mn sublattice contribution plays a secondary role. DC magnetization measurements show marked anisotropic features, related to the anisotropic structure of a cubic system stretched along a body diagonal, with a magnetic easy axis parallel to the crystallographic b axis. A temperature and field dependent spin flop transition is observed below 9 K, when relatively weak magnetocrystalline anisotropy is overcome by magnetic fields up to 1.6 T. (c) 2013 Elsevier B.V. All rights reserved. C1 [Pekala, M.] Univ Warsaw, Dept Chem, PL-02089 Warsaw, Poland. [Wolff-Fabris, F.] Helmholtz Zentrum Dresden Rossendotf, Dresden High Magnet Field Lab HLD, D-01314 Dresden, Germany. [Wolff-Fabris, F.] Los Alamos Natl Lab, MPA NHMFL, Los Alamos, NM 87545 USA. [Fagnard, J-F.; Vanderbemden, Ph.] Univ Liege, SUPRATECS, Dept Elect Engn & Comp Sci B28, B-4000 Liege, Belgium. [Mucha, J.] Polish Acad Sci, W Trzebiatowski Inst Low Temp & Struct Res, PL-50950 Wroclaw 2, Poland. [Gospodinov, M. M.; Lovchinov, V.] Bulgarian Acad Sci, Inst Solid State Phys, BU-1784 Sofia, Bulgaria. [Ausloos, M.] Dept Phys B5A, SUPRATECS, B-4000 Liege, Belgium. RP Wolff-Fabris, F (reprint author), European XFEL GmbH, Notkestr 85, D-22607 Hamburg, Germany. EM f.wolff-fabris@xfel.eu FU Ministry of Science and Higher Education (PL); WBI (B); NSF; Bulgarian Academy of Sciences; University of Liege through the CGRI (BE); US Department of Energy; State of Florida; EuroMagNET II (EU) [228043] FX This work was supported in part by Ministry of Science and Higher Education (PL) and WBI (B) in a frame of scientific exchange agreement, and a bilateral agreement counterpart between the Bulgarian Academy of Sciences and University of Liege through the CGRI (BE). Experimental work at the NHMFL, Los Alamos National Laboratory, was supported by NSF, the US Department of Energy, and the State of Florida. Experimental work at the Dresden High Magnetic Field Laboratory was supported by EuroMagNET II (EU Contract no. 228043). Authors are grateful to V. Drozd for helpful discussions. NR 31 TC 6 Z9 6 U1 1 U2 70 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JUN PY 2013 VL 335 BP 46 EP 52 DI 10.1016/j.jmmm.2013.01.036 PG 7 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 114HP UT WOS:000316732000009 ER PT J AU Starace, AK Gomez, JC Glatzmaier, GC AF Starace, Anne K. Gomez, Judith C. Glatzmaier, Greg C. TI Can particle-stabilized inorganic dispersions be high-temperature heat-transfer and thermal energy storage fluids? SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID MOLTEN-SALTS; EMULSIONS; ALUMINUM; CHLORIDE; LITHIUM; METAL AB Particle-stabilized dispersions are considered as potential high-temperature, high-energy-density heat transfer fluids as well as thermal energy storage materials. To be useful practically, these dispersions need to be stable against coalescence and have low viscosity. We present indirect experimental evidence of particle stabilization of Al-Si in NaCl-NaF dispersions with graphite as the stabilizer. We found no evidence of particle stabilization in the same system with boron carbide, silicon carbide, silica, or zirconia as the stabilizer. We also present indirect experimental evidence of particle stabilization in Al/B2O3/C and Al/NaCl-KCl/Al2O3 dispersed phase/dispersion media/stabilizer systems. C1 [Starace, Anne K.; Gomez, Judith C.; Glatzmaier, Greg C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Starace, AK (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM anne.starace@nrel.gov FU US. Department of Energy [DE-AC36-08GO28308] FX This study was supported by the US. Department of Energy under Contract No. DE-AC36-08GO28308 to the National Renewable Energy Laboratory. NR 27 TC 2 Z9 2 U1 2 U2 34 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD JUN PY 2013 VL 48 IS 11 BP 4023 EP 4031 DI 10.1007/s10853-013-7214-z PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 113SM UT WOS:000316688700017 ER PT J AU Lawrence, SK Adams, DP Bahr, DF Moody, NR AF Lawrence, S. K. Adams, D. P. Bahr, D. F. Moody, N. R. TI Deformation and fracture of a mudflat-cracked laser-fabricated oxide on Ti SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID FILM FRACTURE; THIN-FILMS; COATED SYSTEMS; BRITTLE FILMS; TITANIUM; INDENTATION; OXIDATION; NANOINDENTATION; DECOHESION; MECHANISMS AB Concentrated heating of titanium by a focused laser beam in ambient atmosphere produces unique dielectric layers with characteristic colors dictated by film thickness and optical properties. A combination of microscopy and diffraction techniques employed to study the phase and microstructure of the oxide coatings showed that nanosecond-pulsed laser irradiation produces polycrystalline TiO films and underlying Ti6O interfacial layers. Mudflat cracking was prevalent in all coatings with most cracks extending through thickness to the metal substrate. Deformation and fracture behavior were probed by traditional nanoindentation methods with accompanying electron microscopy. These mixed titanium oxide coatings have moduli (similar to 200 GPa) and hardnesses (similar to 16 GPa) that are larger than the underlying metallic substrates. Fracture energies and residual stress have also been determined from pre-cracked films; fracture toughness and residual stress tend to decrease with decreasing laser fluence. Electrical contact resistance, measured with conductive nanoindentation, indicates a correlation between laser exposure, current-voltage behavior at constant load, and indentation response. Film conductance increases with decreasing laser fluence, likely due to the presence of defects, which act as a conduction path. Combining techniques provide a unique approach for defining electromechanical behavior and the resulting performance of the films in conditions that cause wear. C1 [Lawrence, S. K.; Bahr, D. F.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Lawrence, S. K.; Moody, N. R.] Sandia Natl Labs, Livermore, CA 94551 USA. [Adams, D. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bahr, DF (reprint author), Washington State Univ, Sch Mech & Mat Engn, POB 642920, Pullman, WA 99164 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 Defense Threat Reduction Agency [IACRO 10-4257I]; Sandia National Laboratories, a Lockheed Martin Company for the USDOE NNSA [DE-AC04-94AL85000] FX This work was supported by the Defense Threat Reduction Agency, Basic Research Award #IACRO 10-4257I and by Sandia National Laboratories, a Lockheed Martin Company for the USDOE NNSA under contract DE-AC04-94AL85000. The authors would like to thank Mark Rodriguez, Paul Kotula, Vitalie Stavila, and Ray Friddle for their work and helpful discussions on microscopy and XRD. NR 41 TC 3 Z9 3 U1 0 U2 35 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 EI 1573-4803 J9 J MATER SCI JI J. Mater. Sci. PD JUN PY 2013 VL 48 IS 11 BP 4050 EP 4058 DI 10.1007/s10853-013-7217-9 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 113SM UT WOS:000316688700020 ER PT J AU Iaccarino, G Sharp, D Glimm, J AF Iaccarino, Gianluca Sharp, David Glimm, James TI Quantification of margins and uncertainties using multiple gates and conditional probabilities SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Uncertainty; Safety margins; Hypersonics ID SAMPLING METHODS; SCRAMJET AB A methodology to perform the Quantification of Margins and Uncertainties (QMU) is introduced to enable the assessment of the safety associated with the operating conditions of complex engineering devices consisting of multiple subcomponents or coupled multi-physics processes. One of the key components of the approach is the possibility of decomposing the system into subcomponents characterized by critical metrics gates that collectively describe the reliability of the whole system. In the present study we formalize the process of constructing conditional probabilities for system performance and illustrate it with two applications: the evaluation of the test-time in a shock-tube experimental facility and the assessment of the unstart limit in the combustion chamber of a supersonic propulsion engine. In both cases, multiple uncertainties are considered and the gates are used as a mechanism to reduce the complexity of the resulting stochastic problem. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Iaccarino, Gianluca] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Sharp, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Glimm, James] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. RP Iaccarino, G (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. EM giaccarino@gmail.com FU Department of Energy [National Nuclear Security Administration] [NA28614] FX This material is based upon work supported by the Department of Energy [National Nuclear Security Administration] under Award Number NA28614. NR 25 TC 1 Z9 1 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD JUN PY 2013 VL 114 BP 99 EP 113 DI 10.1016/j.ress.2012.11.026 PG 15 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 117AD UT WOS:000316923600011 ER PT J AU Mawdsley, JR Carter, JD Wang, XP Niyogi, S Fan, CQ Koc, R Osterhout, G AF Mawdsley, Jennifer R. Carter, J. David Wang, Xiaoping Niyogi, Suhas Fan, Chinbay Q. Koc, Rasit Osterhout, George TI Composite-coated aluminum bipolar plates for PEM fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Bipolar plates; Fuel cells; Coatings; Aluminum; Corrosion ID TITANIUM AB Aluminum-based bipolar plates for proton exchange membrane (PEM) fuel cells offer high strength and durability while weighing up to 65% less than stainless steel. To protect the aluminum from electrochemical corrosion while maintaining electrical conductivity, coatings that are a composite of a fluoropolymer and one or more conductive inorganic fillers were investigated. Titanium carbide (TiC) and graphite were found to be the best candidates for conductive fillers among six powders that were tested for acid and electrochemical stability. Composite coatings of graphite, TiC, and ethylene-tetrafluoroethylene (ETFE) were applied to the aluminum or ceramic substrates by wet spraying followed by heat treatment, and then tested for in-plane sheet resistance, through-plane area specific resistance (ASR), electrochemical corrosion resistance, flexural strength, and flexibility. The composite-coated aluminum plates meet the U.S. DOE targets for bipolar plates for in-plane conductivity, flexural strength, and cathodic corrosion resistance. The targets for through-plane ASR and anodic corrosion resistance were not met due to the spraying process producing an undesirable layered microstructure and also a microstructure with connected porosity and pinholes. (C) 2013 Elsevier B.V. All rights reserved. C1 [Mawdsley, Jennifer R.; Carter, J. David; Wang, Xiaoping; Niyogi, Suhas] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Fan, Chinbay Q.] Inst Gas Technol, Des Plaines, IL 60018 USA. [Koc, Rasit] So Illinois Univ, Dept Mech Engn & Energy Proc, Carbondale, IL 62901 USA. [Osterhout, George] Orion Ind, Chicago, IL 60630 USA. RP Mawdsley, JR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM jennifermawdsleyphd@gmail.com FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technology Program; U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors would like to thank Dileep Singh of the Nuclear Energy Division at Argonne for his assistance in using the mechanical testing machine. Also, we would like to thank Terry Cruse, Nathan Styx, T. Keith Honaker-Schroeder, Sarah Stariha, Nancy Dietz-Rago, Jack Vaughey, Brian Ingram, Vic Maroni, Deborah Myers, and Romesh Kumar of the Chemical Sciences and Engineering Division at Argonne for their valuable support and assistance. ICP-OES was carried out by Don Graczyk and Seema Naik, and of the Analytical Chemistry Laboratory at Argonne National Laboratory. Scanning electron microscopy was carried out at the Analytical Chemistry Laboratory and the Electron Microscopy Center at Argonne National Laboratory. Funding was provided by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technology Program.; The submitted manuscript has been created 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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 23 TC 10 Z9 10 U1 3 U2 70 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2013 VL 231 BP 106 EP 112 DI 10.1016/j.jpowsour.2012.12.074 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 104ZZ UT WOS:000316036700014 ER PT J AU Bock, DC Marschilok, AC Takeuchi, KJ Takeuchi, ES AF Bock, David C. Marschilok, Amy C. Takeuchi, Kenneth J. Takeuchi, Esther S. TI A kinetics and equilibrium study of vanadium dissolution from vanadium oxides and phosphates in battery electrolytes: Possible impacts on ICD battery performance SO JOURNAL OF POWER SOURCES LA English DT Article DE Primary battery; Lithium battery; Implantable cardiac defibrillator; Solubility; Dissolution ID LITHIUM-ION BATTERY; POSITIVE-ELECTRODE; LI-ION; ELECTROCHEMICAL PROPERTIES; ELEVATED-TEMPERATURES; CRYSTAL-STRUCTURE; CAPACITY LOSSES; CATHODES; CELLS; MANGANATE AB Silver vanadium oxide (Ag2V4O11, SVO) has enjoyed widespread commercial success over the past 30 years as a cathode material for implantable cardiac defibrillator (ICD) batteries. Recently, silver vanadium phosphorous oxide (Ag2VO2PO4, SVPO) has been studied as possibly combining the desirable thermal stability aspects of LiFePO4 with the electrical conductivity of SVO. Further, due to the noted insoluble nature of most phosphate salts, a lower material solubility of SVPO relative to SVO is anticipated. Thus, the first vanadium dissolution studies of SVPO in battery electrolyte solutions are described herein. The equilibrium solubility of SVPO was similar to 5 times less than SVO, with a rate constant of dissolution similar to 3.5 times less than that of SVO. The vanadium dissolution in SVO and SVPO can be adequately described with a diffusion-layer model, as supported by the Noyes-Whitney equation. Cells prepared with vanadium-treated anodes displayed higher AC impedance and DC resistance relative to control anodes. These data support the premise that SVPO cells are likely to exhibit reduced cathode solubility and thus are less affected by increased cell resistance due to cathode solubility compared to SVO based cells. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bock, David C.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Adv Energy Ctr, Stony Brook, NY 11794 USA. [Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Adv Energy Ctr, Stony Brook, NY 11794 USA. [Takeuchi, Esther S.] Brookhaven Natl Lab, Global & Reg Solut Directorate, Upton, NY 11973 USA. RP Marschilok, AC (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM amy.marschilok@stonybrook.edu; kenneth.takeuchi.1@stonybrook.edu; esther.takeuchi@stonybrook.edu RI Takeuchi, Esther/D-1825-2014; Marschilok, Amy/D-1821-2014 FU National Institutes of Health from National Heart, Lung, and Blood Institute [1R01HL093044-01A1]; Department of Energy, Office of Basic Energy Sciences, Division of Materials Science [DE-SC0002460] FX The authors acknowledge financial support for the material preparation, material characterization, and cathode solubility studies from the National Institutes of Health under Grant 1R01HL093044-01A1 from the National Heart, Lung, and Blood Institute. The authors acknowledge support for the AC impedance spectroscopy studies from the Department of Energy, Office of Basic Energy Sciences, Division of Materials Science, grant DE-SC0002460. NR 41 TC 18 Z9 18 U1 2 U2 114 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2013 VL 231 BP 219 EP 225 DI 10.1016/j.jpowsour.2013.01.012 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 104ZZ UT WOS:000316036700028 PM 25866437 ER PT J AU Stevenson, JW Yang, ZG Xia, GG Nie, Z Templeton, JD AF Stevenson, J. W. Yang, Z. G. Xia, G. G. Nie, Z. Templeton, J. D. TI Long-term oxidation behavior of spinel-coated ferritic stainless steel for solid oxide fuel cell interconnect applications SO JOURNAL OF POWER SOURCES LA English DT Article DE Solid oxide fuel cell; Interconnect; Coatings; Electrical resistance ID SOFC INTERCONNECT; PROTECTION LAYERS; ELECTRICAL-CONDUCTIVITY; METALLIC INTERCONNECT; EXPOSURE CONDITIONS; RESISTANT ALLOYS; COATINGS; CATHODE; DEGRADATION; CONTACT AB Long-term electrical resistance tests were performed to evaluate the performance of AISI 441 ferritic stainless steel coated with a Mn-Co spinel protection layer as a candidate material for intermediate temperature solid oxide fuel cell interconnect applications. The tests indicated that, while uncoated AISI 441 shows a substantial increase in area-specific electrical resistance (ASR), spinet-coated AISI 441 exhibits much lower ASR values. The spinet coatings reduced the oxide scale growth rate and blocked outward diffusion of Cr from the oxide scale that grew between the coating and the steel substrate during the long-term tests. The oxide scale consisted of a chromia layer containing discrete regions of Mn-Cr spinel distributed throughout the layer. The presence of Ti in the chromia scale matrix and/or the presence of regions of Mn-Cr spinel within the scale may have increased the scale electrical conductivity, which would explain the fact that the observed ASR in the tests was lower than would be expected if the scale consisted of pure chromia. (C) 2013 Published by Elsevier B.V. C1 [Stevenson, J. W.; Yang, Z. G.; Xia, G. G.; Nie, Z.; Templeton, J. D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Stevenson, JW (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jeff.stevenson@pnnl.gov FU U.S. Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program; U.S. Department of Energy [DE-AC06-76RLO 1830] FX The authors would like to thank Jim Rakowski at Allegheny Techologies, Inc. for providing the alloy samples, and Dan Edwards and Jim Coleman at PNNL for performing the SEM/EDS analyses. The work summarized in this paper was funded by the U.S. Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program. PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. NR 34 TC 15 Z9 15 U1 4 U2 85 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2013 VL 231 BP 256 EP 263 DI 10.1016/j.jpowsour.2013.01.033 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 104ZZ UT WOS:000316036700033 ER PT J AU Chen, D Kim, S Sprenkle, V Hickner, MA AF Chen, Dongyang Kim, Soowhan Sprenkle, Vincent Hickner, Michael A. TI Composite blend polymer membranes with increased proton selectivity and lifetime for vanadium redox flow batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Vanadium redox flow battery; Proton exchange membrane; Blend; Composite; Selectivity ID ETHER KETONE) MEMBRANES; HYDROTHERMAL METHOD; EXCHANGE MEMBRANE AB Composite membranes based on blends of sulfonated fluorinated poly(arylene ether) (SFPAE) and poly(vinylidene fluoride-co-hexafluoropropene) (P(VDF-co-HFP)) were prepared with varying P(VDF-co-HFP) content for vanadium redox flow battery (VRFB) applications. The properties of the SFPAE-P(VDF-co-HFP) blends were characterized by atomic force microscopy, differential scanning calorimetry, and Fourier transform infrared spectroscopy. The water uptake, mechanical properties, thermal properties, proton conductivity, VO2+ permeability and VRFB cell performance of the composite membranes were investigated in detail and compared to the pristine SFPAE membrane. It was found that SFPAE had good compatibility with P(VDF-co-HFP) and the incorporation of P(VDF-co-HFP) increased the mechanical properties, thermal properties, and proton selectivity of the materials effectively. An SFPAE composite membrane with 10 wt.% P(VDF-co-HFP) exhibited a 44% increase in VRFB cell lifetime as compared to a cell with a pure SFPAE membrane. Therefore, the P(VDF-co-HFP) blending approach is a facile method for producing low-cost, high-performance VRFB membranes. (C) 2013 Elsevier B.V. All rights reserved. C1 [Chen, Dongyang; Hickner, Michael A.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Kim, Soowhan; Sprenkle, Vincent] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hickner, MA (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM soowhankim@gmail.com; hickner@matse.psu.edu RI chen, Dongyang/F-9695-2011 OI chen, Dongyang/0000-0002-3746-8841 FU Office of Electricity (OE Delivery & Energy Reliability (OE)), U.S. Department of Energy (DOE) [DE-AC05-76RL01830] FX The work was supported by the Office of Electricity (OE Delivery & Energy Reliability (OE)), U.S. Department of Energy (DOE) under contract DE-AC05-76RL01830. NR 32 TC 18 Z9 19 U1 8 U2 141 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2013 VL 231 BP 301 EP 306 DI 10.1016/j.jpowsour.2013.01.007 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 104ZZ UT WOS:000316036700038 ER PT J AU Cardenas, R Molinas, M Bialasiewicz, JT AF Cardenas, Roberto Molinas, Marta Bialasiewicz, Jan T. TI Introduction to the Special Section on Control and Grid Integration of Wind Energy Systems-Part I SO IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS LA English DT Editorial Material C1 [Cardenas, Roberto] Univ Magallanes, Magallanes, Chile. [Cardenas, Roberto] Univ Nottingham, Power Elect Machines & Control Grp, Nottingham NG7 2RD, England. [Cardenas, Roberto] Univ Santiago, Dept Elect Engn, Santiago, Chile. [Molinas, Marta] Univ Padua, Padua, Italy. [Molinas, Marta] Norwegian Univ Sci & Technol NTNU, Trondheim, Norway. [Molinas, Marta] Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Tsukuba, Ibaraki, Japan. [Bialasiewicz, Jan T.] Univ Colorado, Dept Elect Engn, Denver, CO 80202 USA. [Bialasiewicz, Jan T.] Polish Japanese Inst Informat Technol, Warsaw, Poland. [Bialasiewicz, Jan T.] Natl Wind Technol Ctr, Natl Renewable Energy Labs, Golden, CO USA. RP Cardenas, R (reprint author), Univ Chile, Dept Elect Engn, Santiago, Chile. RI Cardenas, Roberto/C-6395-2011; researchers, ac3e/N-2008-2016 OI Cardenas, Roberto/0000-0003-3853-7703; NR 0 TC 1 Z9 1 U1 0 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0278-0046 J9 IEEE T IND ELECTRON JI IEEE Trans. Ind. Electron. PD JUN PY 2013 VL 60 IS 6 BP 2358 EP 2359 DI 10.1109/TIE.2012.2234318 PG 2 WC Automation & Control Systems; Engineering, Electrical & Electronic; Instruments & Instrumentation SC Automation & Control Systems; Engineering; Instruments & Instrumentation GA 090JN UT WOS:000314975400022 ER PT J AU Ali, N Krishnamoorthy, S Halappanavar, M Daily, J AF Ali, Nawab Krishnamoorthy, Sriram Halappanavar, Mahantesh Daily, Jeff TI Multi-Fault Tolerance for Cartesian Data Distributions SO INTERNATIONAL JOURNAL OF PARALLEL PROGRAMMING LA English DT Article DE Fault tolerance; Fault tolerant linear algebra; Checksums; Data distribution ID ALGORITHM; PERFORMANCE; ARRAYS AB Faults are expected to play an increasingly important role in how algorithms and applications are designed to run on future extreme-scale systems. Algorithm-based fault tolerance is a promising approach that involves modifications to the algorithm to recover from faults with lower overheads than replicated storage and a significant reduction in lost work compared to checkpoint-restart techniques. Fault-tolerant linear algebra algorithms employ additional processors that store parities along the dimensions of a matrix to tolerate multiple, simultaneous faults. Existing approaches assume regular data distributions (blocked or block-cyclic) with the failures of each data block being independent. To match the characteristics of failures on parallel computers, we extend these approaches to mapping parity blocks in several important ways. First, we handle parity computation for generalized Cartesian data distributions with each processor holding arbitrary subsets of blocks in a Cartesian-distributed array. Second, techniques to handle correlated failures, i.e., multiple processors that can be expected to fail together, are presented. Third, we handle the colocation of parity blocks with the data blocks and do not require them to be on additional processors. Several alternative approaches, based on graph matching, are presented that attempt to balance the memory overhead on processors while guaranteeing the same fault tolerance properties as existing approaches that assume independent failures on regular blocked data distributions. Evaluation of these algorithms demonstrates that the additional desirable properties are provided by the proposed approach with minimal overhead. C1 [Ali, Nawab; Krishnamoorthy, Sriram; Halappanavar, Mahantesh; Daily, Jeff] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Krishnamoorthy, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM nawab.ali@pnnl.gov; sriram@pnnl.gov; mahantesh.halappanavar@pnnl.gov; jeff.daily@pnnl.gov OI Daily, Jeff/0000-0001-6212-5173 FU U.S. Department of Energy [47590, DE-AC05-76RL01830]; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the U.S. Department of Energy through Grant 47590. A portion of the research was performed using the Molecular Science Computing (MSC) capability at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830. NR 39 TC 2 Z9 2 U1 0 U2 13 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0885-7458 EI 1573-7640 J9 INT J PARALLEL PROG JI Int. J. Parallel Program. PD JUN PY 2013 VL 41 IS 3 SI SI BP 469 EP 493 DI 10.1007/s10766-012-0218-5 PG 25 WC Computer Science, Theory & Methods SC Computer Science GA 091HA UT WOS:000315038800005 ER PT J AU Andreev, N Kashikhin, VS Kerby, J Kimura, N Takahashi, M Tartaglia, MA Tosaka, T Yamamoto, A AF Andreev, Nikolai Kashikhin, Vladimir S. Kerby, James Kimura, Nobuhiro Takahashi, Masahiko Tartaglia, Michael A. Tosaka, Taizo Yamamoto, Akira TI Conduction Cooling Test of a Splittable Quadrupole for ILC Cryomodules SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Cryogenic test facility; superconducting magnet ID SUPERCONDUCTING QUADRUPOLE AB A superconducting splittable quadrupole magnet was designed at Fermilab for use in ILC-style cryomodules, in which the magnet is to be assembled around the beam tube to avoid contaminating the ultraclean superconducting RF beam volume. This quadrupole was built and first tested in a liquid helium bath environment at Fermilab, where its quench and magnetic performance were characterized. The device is intended to be cooled by conduction when installed in cryomodules, so a separate test was made at KEK where an appropriate conduction cooling test facility exists. We present results of the thermal performance of the magnet in the conduction cooling mode, and discuss its excitation characteristics in this operating mode. C1 [Andreev, Nikolai; Kashikhin, Vladimir S.; Tartaglia, Michael A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Kerby, James] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Kimura, Nobuhiro; Yamamoto, Akira] KEK Lab, Tsukuba, Ibaraki 3050801, Japan. [Takahashi, Masahiko; Tosaka, Taizo] Toshiba Co Ltd, Tokyo 1058001, Japan. RP Andreev, N (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM andreev@fnal.gov; kash@fnal.gov; jkerby@aps.anl.gov; nobuhiro.kimura@kek.jp; masahico.takahashi@toshiba.co.jp; tartaglia@fnal.gov; taizo.tosaka@toshiba.co.jp; akira.yamamoto@kek.jp FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; Japan-U.S. cooperative program in High Energy Physics FX Manuscript received October 9, 2012; accepted December 14, 2012. Date of publication December 24, 2012; date of current version January 23, 2013. This work was supported in part by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy, and in part by the Japan-U.S. cooperative program in High Energy Physics. NR 8 TC 3 Z9 3 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 3500305 DI 10.1109/TASC.2012.2236135 PN 2 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800003 ER PT J AU Arbelaez, D Lee, D Pan, H Koettig, T Bish, P Prestemon, SO Dietderich, DR Schlueter, RD AF Arbelaez, D. Lee, D. Pan, H. Koettig, T. Bish, P. Prestemon, S. O. Dietderich, D. R. Schlueter, R. D. TI Magnetic Field Correction Concepts for Superconducting Undulators SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Shimming; superconducting; tuning; undulator AB The ability to correct magnetic field errors in a superconducting undulator is critical for the successful application of these devices in future and existing light sources. These field errors, which can emanate from sources such as machining and coil winding imperfections, can lead to reduced light source performance by introducing errors in both the electron trajectory and the relative phase relationship between the oscillating electrons and the emitted photons. In this work, correction schemes are presented, which use a single power supply along with a superconducting switch network to define the path for the current during undulator tuning. The basic switching concept was previously designed and successfully tested at Lawrence Berkeley National Laboratory; the approach presented here is a significant advancement in generalizing and scaling that core concept. A new fabrication method is presented here, which uses lithographic methods to produce current paths and switch heaters on a superconducting film. The effect of an example corrector current path design on the magnetic field is investigated using the Finite Element Method, and the results at various undulator and corrector energization levels are presented. Experimental results from the heater switch concept are also presented. C1 [Arbelaez, D.; Lee, D.; Pan, H.; Koettig, T.; Bish, P.; Prestemon, S. O.; Dietderich, D. R.; Schlueter, R. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Arbelaez, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM darbelaez@lbl.gov FU Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Manuscript received October 9, 2012; accepted November 26, 2012. Date of publication December 4, 2012; date of current version January 8, 2013. This work was supported by the Director, Office of Science, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 10 TC 2 Z9 2 U1 0 U2 40 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 4100104 DI 10.1109/TASC.2012.2231911 PN 2 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800025 ER PT J AU Brown, AD Chervenak, JA Chuss, D Mikula, V Ray, C Rostem, K U-yen, K Wassell, E Wollack, EJ AF Brown, Ari-David Chervenak, James A. Chuss, David Mikula, Vilem Ray, Christopher Rostem, Karwan U-yen, Kongpop Wassell, Edward Wollack, Edward J. TI Fabrication of Compact Superconducting Lowpass Filters for Ultrasensitive Detectors SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Dielectric thin films; metallic thin films; micro-machining; microwave filters; superconducting filters AB Optimal performance of background limited thermal detectors requires adequate control over all relevant sources of incident electromagnetic radiation. In addition to the radiant power incident from the scene of interest, undesired or spurious power can potentially couple to the sensor via its bias and readout circuitry employed to operate the device. One means of limiting the contribution of this stray radiation is to filter or block leakage associated with electrical connections in the detector environment. Here we discuss a fabrication methodology for realizing compact planar filters embedded in the wall of the detector enclosure whose tailored response controls the propagation of light through the far infrared. This approach consists of fabricating an array of boxed-stripline transmission line blocking filters to control thermal radiation incident via this path. Topologically, each superconducting center conductor is encased by a silicon dioxide dielectric insulator and surrounded by a metallic shield to form a single mode transmission line structure. We report on achieved attenuation and return loss and find that it replicates simulated data to a high degree. C1 [Brown, Ari-David; Chervenak, James A.; Chuss, David; U-yen, Kongpop; Wollack, Edward J.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Mikula, Vilem] Catholic Univ Amer, Inst Astrophys & Computat Sci, Washington, DC 20064 USA. [Ray, Christopher; Wassell, Edward] MEI Technol Inc, Seabrook, MD 20706 USA. [Rostem, Karwan] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. RP Brown, AD (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. EM ari.d.brown@nasa.gov; james.a.chervanak@nasa.gov; david.t.chuss@nasa.gov; vilem.mikula@volny.cz; christopher.ray-1@nasa.gov; karwan.rostem@nasa.gov; kongpop.u-yen-1@nasa.gov; edward.wassell@nasa.gov; edward.j.wollack@nasa.gov RI Wollack, Edward/D-4467-2012 OI Wollack, Edward/0000-0002-7567-4451 FU NASA; Research Opportunities in Space and Earth Sciences award [NNH09ZDA001N-APRA] FX This work was supported by NASA with a Research Opportunities in Space and Earth Sciences award in response to NNH09ZDA001N-APRA. This work was also supported by an appointment to the NASA Postdoctoral Program at the Goddard Space Flight Center, administered by Oak Ridge Associated Universities through a contract with NASA. NR 17 TC 2 Z9 2 U1 0 U2 38 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 2300204 DI 10.1109/TASC.2012.2231135 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800073 ER PT J AU Buehler, M Bross, A Hess, C Orris, D Pilipenko, R Preece, R Sylvester, C Tartaglia, M Tompkins, J Virostek, S AF Buehler, M. Bross, A. Hess, C. Orris, D. Pilipenko, R. Preece, R. Sylvester, C. Tartaglia, M. Tompkins, J. Virostek, S. TI Magnetic Measurements for a MICE Spectrometer Solenoid SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Muon colliders; solenoids; superconducting coils AB The goal of the Muon Ionization Cooling Experiment (MICE) is to demonstrate muon cooling for a future muon collider. In order to quantify this cooling effect with high precision, scintillating fiber trackers in a uniform 4 Tesla field are required. The MICE spectrometer solenoids were designed to meet these requirements. Based on superconducting niobium-titanium (Nb-Ti), each of the two MICE spectrometer solenoids consists of five separate coils contained in a vacuum vessel of 2.7 m length and 1.4 m diameter. In this paper, we report on results from first measurements to verify initial magnet performance at the manufacturer site using a portable Hall-probe-based measurement system. A comparison with theoretical expectations based on OPERA simulations will be discussed and design aspects of the measurement system will be presented. C1 [Buehler, M.; Bross, A.; Hess, C.; Orris, D.; Pilipenko, R.; Sylvester, C.; Tartaglia, M.; Tompkins, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Preece, R.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Virostek, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Buehler, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM buehler@fnal.gov; bross@fnal.gov; hess@fnal.gov; orris@fnal.gov; pilipen@fnal.gov; rmpreece@lbl.gov; sylvester@fnal.gov; tartaglia@fnal.gov; jct@fnal.gov; spvirostek@lbl.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX Manuscript received October 9, 2012; accepted December 21, 2012. Date of publication December 28, 2012; date of current version January 17, 2013. This work was supported in part by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 4 TC 0 Z9 0 U1 1 U2 31 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 4500104 DI 10.1109/TASC.2012.2236595 PN 2 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800051 ER PT J AU Burmistrov, E Matlashov, A Sandin, H Schultz, L Volegov, P Espy, M AF Burmistrov, Evgeny Matlashov, Andrei Sandin, Henrik Schultz, Larry Volegov, Peter Espy, Michelle TI Optimization and Configuration of SQUID Sensor Arrays for a MEG-MRI System SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Magneto-encephalography (MEG); superconducting quantum interface device (SQUID) array; SQUID magnetic resonance imaging (MRI); ultra-low field (ULF) MRI ID MAGNETIC-RESONANCE; NMR AB The idea of using a large-scale superconducting quantum interference device array for simultaneous detection of both magneto-encephalography (MEG) and magnetic resonance images of the brain at ultra-low field (ULF MRI) is extremely attractive. It could reasonably improve the superposition of images from the two different modalities. Adding a ULF MRI capability to MEG implies the addition of coils for generation of fields and gradients. In addition there is a difference between the optimization criteria for pickup coils. MEG pick-up coils should be small enough to avoid smoothing of spatially sharp field distributions. In the case of ULF MRI the spatial resolution is defined by the applied gradients and the voxel signal-to-noise ratio but not by the pick-up coil diameter. Thus, ULF MRI systems may need fewer pick-up coils of larger size to cover the same area of interest. One approach is a hybrid design with different sizes and quantities of pick-up coils for recording of MEG and MRI signals. We describe a configuration of the 80-channel SQUID array that consists of 64 MEG and 16 MRI magnetometers. We also describe performance of gradiometers in comparison with magnetometers. C1 [Burmistrov, Evgeny; Matlashov, Andrei; Sandin, Henrik; Schultz, Larry; Volegov, Peter; Espy, Michelle] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Burmistrov, E (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM evgeny@lanl.gov; matlachov@lanl.gov; henrik@lanl.gov; schultz@lanl.gov; volegov@lanl.gov; espy@lanl.gov FU Los Alamos National Laboratory LDRD DR [20100097DR] FX This work was supported by the Los Alamos National Laboratory LDRD DR under Grant 20100097DR. NR 13 TC 1 Z9 1 U1 1 U2 38 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 1601304 DI 10.1109/TASC.2012.2233835 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800044 ER PT J AU DiMarco, EJ Khabiboulline, E Orris, DF Tartaglia, MA Terechkine, I AF DiMarco, E. Joseph Khabiboulline, Emil Orris, Darryl F. Tartaglia, Michael A. Terechkine, Iouri TI Superconducting Solenoid Lens for a High Energy Part of a Proton Linac Front End SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Modeling; quench protection; solenoid; superconducting magnet AB Development of a high-current proton linac at FNAL went through many stages, starting from a pulsed 8 GeV linac, then to the HINS linac front end R&D, and now toward the ProjectX CW linac. For different parts of the accelerator front end in each of these linacs, the design requires solenoid-based focusing lenses that can provide the needed transverse focusing on a very tight real estate environment. The multiple, often contradictory, design requirements of focusing lenses include the need for high focusing strength, small footprint, very low fringe field, and embedded steering coils. To meet these requirements, a series of prototype lenses were built and tested. Performances of the lenses designed for low energy parts of the linac front end have been reported earlier. This report presents lens design and test data for the high energy part of a proton linac front end, up to an energy of similar to 100 MeV. For these lenses, reliable protection from high voltages or temperatures during a quench becomes important, and a new protection scheme was developed, which allows more flexibility and reliability. Details of the magnetic axis position have also been investigated. C1 [DiMarco, E. Joseph; Orris, Darryl F.; Tartaglia, Michael A.; Terechkine, Iouri] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Khabiboulline, Emil] CALTECH, Pasadena, CA 91125 USA. RP DiMarco, EJ (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM dimarco@fnal.gov; ekhabibo@caltech.edu; orris@fnal.gov; tartaglia@fnal.gov; terechki@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX This work was supported in part by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 19 TC 0 Z9 0 U1 1 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 4100905 DI 10.1109/TASC.2012.2236374 PN 2 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800033 ER PT J AU DiMarco, J Chlachidze, G Makulski, A Orris, D Tartaglia, M Tompkins, JC Velev, GV Wang, X AF DiMarco, J. Chlachidze, G. Makulski, A. Orris, D. Tartaglia, M. Tompkins, J. C. Velev, G. V. Wang, X. TI Application of PCB and FDM Technologies to Magnetic Measurement Probe System Development SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Fused-deposition modeling; magnetic measurement probes; printed circuit boards; rotating coils; 3D printing ID FIELD AB Rotating coil probes are essential for measuring harmonic multipole fields of accelerator magnets. A fundamental requirement of these probes is their accuracy, which typically implies that the probes need to be very stiff and straight, have highly accurate knowledge of the placement of windings, and an ability to buck the fundamental fields well in order to suppress the effects of vibrations. Ideally, for an R&D test environment, probe fabrication should also be easy and low-cost, so that probe parameters (type, length, number of turns, radius, etc.) can be customized to the magnet requiring test. Such facility allows measurement optimization for magnets of various multipolarity, aperture size, cable twist pitch, etc. The accuracy and construction flexibility aspects of probe development, however, are often at odds with each other. This paper reports on application of printed-circuit board and fused-deposition modeling technologies, and what these offer to the fabrication of magnetic measurement probe systems. C1 [DiMarco, J.; Chlachidze, G.; Makulski, A.; Orris, D.; Tartaglia, M.; Tompkins, J. C.; Velev, G. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Wang, X.] Lawrence Berkeley Natl Lab, Berkeley, CA 94705 USA. RP DiMarco, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM dimarco@fnal.gov; guram@fnal.gov; makulski@fnal.gov; orris@fnal.gov; tartaglia@fnal.gov; jct@fnal.gov; velev@fnal.gov; XRWang@lbl.gov OI Wang, Xiaorong/0000-0001-7065-8615 FU Fermi Research Alliance, LLC [E-AC02-07CH11359]; U.S. Department of Energy FX This work was supported in part by Fermi Research Alliance, LLC under Contract E-AC02-07CH11359 with the U.S. Department of Energy. NR 10 TC 11 Z9 11 U1 2 U2 68 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 9000505 DI 10.1109/TASC.2012.2236596 PN 3 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 081AJ UT WOS:000314286200085 ER PT J AU Ghosh, AK AF Ghosh, Arup K. TI Effect of Copper Resistivity and Filament Size on the Self-Field Instability of High-J(c) Nb3Sn Strands SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Magnetization; Nb3Sn superconducting wires; quench current; self-field instability ID PERFORMANCE; STABILITY; SUPERCONDUCTORS; MAGNETIZATION; CONDUCTORS; THRESHOLD; CABLES AB Nb3Sn strands with large filaments and high-J(c) exhibit instabilities due to magnetization flux-jumps at low fields in changing magnetic fields. In addition, at intermediate fields of 5 to 7 T, these strands quench prematurely at currents well below the critical current. Current-voltage measurements are typically used for critical current determinations, and the premature quenching observed is driven by current redistribution within the strand as the current is increased and is termed "self-field" instability. This instability is exacerbated as the temperature is lowered from 4.2 K to 2 K superfluid helium. A previous study examined wires in the "quasi-adiabatic" limit, where dynamic heat transfer mechanisms are suppressed. In this paper, we report on measurements in the temperature range of 4.2-2 K on high-J(c) RRP strands with varying copper stabilizer resistivities and Nb3Sn filament diameters. These measurements show that the residual resistivity ratio, RRR, of the copper stabilizer plays an important role in mitigating this instability. Also for strands with similar RRR, we find that the stability improves with decreasing filament diameters, although the improvement is not very dramatic. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Ghosh, AK (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM aghosh@bnl.gov FU U.S. Department of Energy [DE-AC02-98CH10886] FX This work was supported by the U.S. Department of Energy under Contract DE-AC02-98CH10886. NR 25 TC 3 Z9 3 U1 2 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 7100407 DI 10.1109/TASC.2012.2235119 PN 3 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 081AJ UT WOS:000314286200036 ER PT J AU Holesinger, TG Baca, FJ Kennison, JA Coulter, JY Patterson, BM Marken, KR AF Holesinger, Terry G. Baca, F. Javier Kennison, John A. Coulter, J. Yates Patterson, Brian M. Marken, Kenneth R. TI Microstructure-Based Model for Current Flow in Bi-2212 Round Wire Conductors SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Critical current; microstructure; multifilamentary superconductors; superconducting materials ID CRITICAL-CURRENT DENSITY; BI2SR2CACU2OX/AG COMPOSITE TAPES; INTERMEDIATE ROLLING PROCESS; SUPERCONDUCTING OXIDE LAYER; GRAIN-BOUNDARIES; COATED CONDUCTORS; BICRYSTALS; MAGNET; FIELD; J(C) AB The high-temperature superconductor Bi2Sr2 CaCu2Oy (Bi-2212) is a viable candidate for low-temperature, high-field (> 20 T) superconducting magnet applications due to its high irreversibility field and ability to be formed into a high-current, round multifilamentary wire. However, after over 20 years of research, a clear understanding of current flow within these round wires remains elusive. We present here a model for current flow in these round wire conductors based on a microstructural feature that is continuous along the wire axis. Scanning and transmission electron microscopy along with micro X-ray computed tomography were used to define key microstructural features and establish relationships between the structure and superconducting properties. A model was developed based on the layer of well-formed Bi-2212 that is found next to the silver sheath. This model correctly predicts observed trends with increasing J(c) with smaller filament diameters and provides a basis for developing new experiments to understand and improve this important high-temperature superconducting conductor. C1 [Holesinger, Terry G.; Baca, F. Javier; Kennison, John A.; Coulter, J. Yates; Patterson, Brian M.; Marken, Kenneth R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Holesinger, TG (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM holesinger@lanl.gov; f.javier.baca@gmail.com; kennison@lanl.gov; jycoulter@lanl.gov; bpatterson@lanl.gov; ken.marken@science.doe.gov OI Patterson, Brian/0000-0001-9244-7376 FU American Recovery and Reinvestment Act through the U.S. Department of Energy, Office of High Energy Physics FX Manuscript received October 9, 2012; accepted December 22, 2012. Date of publication January 9, 2013; date of current version January 25, 2013. This work was supported in part by the American Recovery and Reinvestment Act through the U.S. Department of Energy, Office of High Energy Physics. NR 37 TC 1 Z9 1 U1 0 U2 31 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 JUN PY 2013 VL 23 IS 3 AR 6400305 DI 10.1109/TASC.2013.2238651 PN 3 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 081AJ UT WOS:000314286200016 ER PT J AU James, C Krishnan, M Bures, B Tajima, T Civale, L Edwards, R Spradlin, J Inoue, H AF James, Colt Krishnan, Mahadevan Bures, Brian Tajima, Tsuyoshi Civale, Leonardo Edwards, Randy Spradlin, Josh Inoue, Hitoshi TI Superconducting Nb Thin Films on Cu for Applications in SRF Accelerators SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Niobium; superconducting materials; thin films ID SURFACE AB This article describes Nb thin films deposited on Cu using coaxial energetic deposition (CED). CED is a nonequilibrium cathodic arc process that drives medium energy (50-150 eV) ions into a few atomic layers beneath the surface to promote the growth of dense, ordered films via subplantation physics. Nb films deposited on crystalline substrates by CED have shown bulk-Nb like (> 300-500) RRR values. Here we describe Nb films of 1-10 mu m deposited on coupons and complex structures made of Cu at substrate temperatures of 400 degrees C or less. The coated samples were sectioned and the substrate material etched away so the superconducting transition temperature (T-c), as well as residual resistivity ratio (RRR) at 10 K of the Nb films could be measured. RRR values of > 100 have been achieved on fine-grain Cu with little surface preparation. The vortex penetration magnetic field was measured by DC SQUID and these results are presented along with comparisons between bulk Nb and thin film Nb on crystalline substrates. The CED approach has applications in superconducting bellows interconnects as well as in SRF cavities. C1 [James, Colt; Krishnan, Mahadevan; Bures, Brian] Alameda Appl Sci Corp, San Leandro, CA 94577 USA. [Tajima, Tsuyoshi; Civale, Leonardo; Edwards, Randy] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Inoue, Hitoshi] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki, Japan. RP James, C (reprint author), Alameda Appl Sci Corp, San Leandro, CA 94577 USA. EM james@aasc.net; krishnan@aasc.net; bures@aasc.net; tajima@lanl.gov; lcivale@lanl.gov; redwards@lanl.gov; jspradlin@jlab.org; hitoshi.inoue@kek.jp OI Civale, Leonardo/0000-0003-0806-3113 FU US DOE via SBIR; American Recovery and Reinvestment Act FX Manuscript received October 12, 2012; accepted December 16, 2012. Date of publication December 20, 2012; date of current version January 20, 2013. This work was supported by the US DOE via SBIR grants to AASC as well as supplemental funding provided by the American Recovery and Reinvestment Act. NR 18 TC 2 Z9 2 U1 2 U2 32 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 JUN PY 2013 VL 23 IS 3 AR 3500205 DI 10.1109/TASC.2012.2235503 PN 2 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800002 ER PT J AU Jiang, JY Miao, HP Huang, YB Hong, S Parrell, JA Scheuerlein, C Di Michiel, M Ghosh, AK Trociewitz, UP Hellstrom, EE Larbalestier, DC AF Jiang, Jianyi Miao, Hanping Huang, Yibing Hong, Seung Parrell, Jeff A. Scheuerlein, Christian Di Michiel, Marco Ghosh, Arup K. Trociewitz, Ulf P. Hellstrom, Eric E. Larbalestier, David C. TI Reduction of Gas Bubbles and Improved Critical Current Density in Bi-2212 Round Wire by Swaging SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Bi-2212; critical current density; high temperature superconductor; superconducting magnets ID SUPERCONDUCTING PROPERTIES; HEAT-TREATMENT; LONG LENGTH; TAPES; DEFORMATION; MAGNET AB Bi-2212 round wire is made by the powder-in-tube technique. An unavoidable property of powder-in-tube conductors is that there is about 30% void space in the as-drawn wire. We have recently shown that the gas present in the as-drawn Bi-2212 wire agglomerates into large bubbles and that they are presently the most deleterious current-limiting mechanism. By densifying short 2212 wires before reaction through cold isostatic pressing, the void space was almost removed and the gas bubble density was reduced significantly, resulting in a doubled engineering critical current density (J(E)) of 810 A/mm(2) at 5 T, 4.2 K. Here we report on densifying Bi-2212 wire by swaging, which increased J(E) (4.2 K, 5 T) from 486 A/mm(2) for as-drawn wire to 808 A/mm(2) for swaged wire. This result further confirms that enhancing the filament packing density is of great importance for making major J(E) improvements in this round-wire magnet conductor. C1 [Jiang, Jianyi; Trociewitz, Ulf P.; Hellstrom, Eric E.; Larbalestier, David C.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Miao, Hanping; Huang, Yibing; Hong, Seung; Parrell, Jeff A.] Oxford Superconducting Technol, Carteret, NJ 07008 USA. [Hong, Seung] HJC Enterprise, New Providence, NJ 07974 USA. [Scheuerlein, Christian] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Di Michiel, Marco] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Ghosh, Arup K.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Jiang, JY (reprint author), Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM jjiang@asc.magnet.fsu.edu; hanping.miao@oxinst.com; yibing.huang@oxinst.com; seung.hong@oxinst.com; jeff.parrell@oxinst.com; Christian.Scheuerlein@cern.ch; dimichie@esrf.fr; aghosh@bnl.gov; trociew@asc.magnet.fsu.edu; hellstrom@asc.magnet.fsu.edu; larbalestier@asc.magnet.fsu.edu RI Larbalestier, David/B-2277-2008; Jiang, Jianyi/F-2549-2017 OI Larbalestier, David/0000-0001-7098-7208; Jiang, Jianyi/0000-0002-1094-2013 FU ARRA grant from the US Department of Energy Office of High Energy Physics; National High Magnetic Field Laboratory; National Science Foundation [NSF/DMR-0654118]; State of Florida FX Manuscript received October 9, 2012; accepted December 15, 2012. Date of publication January 4, 2013; date of current version January 23, 2013. The work at the NHMFL was supported by an ARRA grant from the US Department of Energy Office of High Energy Physics and by the National High Magnetic Field Laboratory, which is supported by the National Science Foundation under NSF/DMR-0654118, and by the State of Florida. NR 31 TC 23 Z9 23 U1 1 U2 39 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 6400206 DI 10.1109/TASC.2013.2237873 PN 3 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 081AJ UT WOS:000314286200015 ER PT J AU Kashikhin, VV Ambrosio, G Andreev, N Lamm, M Mokhov, NV Nicol, TH Page, TM Pronskikh, V AF Kashikhin, V. V. Ambrosio, G. Andreev, N. Lamm, M. Mokhov, N. V. Nicol, T. H. Page, T. M. Pronskikh, V. TI Conceptual Design of the Mu2e Production Solenoid SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Cryogenics; electromagnetic analysis; solenoid; superconducting magnets ID ALUMINUM-STABILIZED SUPERCONDUCTOR; HIGH-STRENGTH AB The Muon-to-Electron conversion experiment (Mu2e), under development at Fermilab, seeks to detect direct muon to electron conversion to provide evidence for a process violating muon and electron lepton number conservation that cannot be explained by the Standard Model of Particle Physics. The required magnetic field is produced by a series of superconducting solenoids. This paper describes the conceptual design of the 5-T, 4-m-long solenoid with 1.7 m bore with the emphasis on the electromagnetic and structural analyses. C1 [Kashikhin, V. V.; Ambrosio, G.; Andreev, N.; Lamm, M.; Mokhov, N. V.; Nicol, T. H.; Page, T. M.; Pronskikh, V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Kashikhin, VV (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM vadim@fnal.gov; giorgioa@fnal.gov; andreev@fnal.gov; lamm@fnal.gov; mokhov@fnal.gov; tnicol@fnal.gov; tpage@fnal.gov; vspron@fnal.gov FU Fermi Research Alliance under the US Department of Energy [DE-AC02-07CH11359] FX This work was supported in part by Fermi Research Alliance under the US Department of Energy Contract DE-AC02-07CH11359. NR 14 TC 1 Z9 1 U1 0 U2 13 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 JUN PY 2013 VL 23 IS 3 AR 4100604 DI 10.1109/TASC.2012.2232341 PN 2 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800030 ER PT J AU Kim, YJ Clayton, SM AF Kim, Young Jin Clayton, Steven M. TI Development of a SQUID-Based He-3 Co-Magnetometer Readout for a Neutron Electric Dipole Moment Experiment SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE He-3 co-magnetometer; electric dipole moment (EDM); SQUID; T violation; magnetic-resonance AB A discovery of a permanent electric dipole moment (EDM) of the neutron would provide one of the most important low energy tests of the discrete symmetries beyond the Standard Model of particle physics. A new search of neutron EDM, to be conducted at the spallation neutron source at Oak Ridge National Laboratory, is designed to improve the present experimental limit of similar to 10(-26) e . cm by two orders of magnitude. The experiment is based on the magnetic-resonance technique in which polarized neutrons precess at the Larmor frequency when placed in a static magnetic field; a nonzero EDM would be evident as a difference in precession frequency when a strong external electric field is applied parallel versus antiparallel to the magnetic field. In addition to its role as neutron spin-analyser via the spin-dependent n + He-3 nuclear capture reaction, polarized helium-3 (which has negligible EDM) will serve as co-magnetometer to correct for drifts in the magnetic field. In one of the two methods that will be built into the apparatus, the helium-3 precession signal is read out by SQUID-based gradiometers. We present a design study of a SQUID system suitable for the neutron EDM apparatus, and discuss using very long leads between the pickup loop and the SQUID. C1 [Kim, Young Jin] Los Alamos Natl Lab, Appl Modern Phys Grp, Los Alamos, NM 87545 USA. [Clayton, Steven M.] Los Alamos Natl Lab, Subatom Phys Grp, Los Alamos, NM 87545 USA. RP Kim, YJ (reprint author), Los Alamos Natl Lab, Appl Modern Phys Grp, MS D454, Los Alamos, NM 87545 USA. EM youngjin@lanl.gov; sclayton@lanl.gov RI Lujan Center, LANL/G-4896-2012; OI Clayton, Steven/0000-0002-1401-2761 FU U.S. DOE Office of Science, Nuclear Physics FX This work was supported by the U.S. DOE Office of Science, Nuclear Physics. NR 14 TC 4 Z9 4 U1 1 U2 33 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 2500104 DI 10.1109/TASC.2012.2229773 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800077 ER PT J AU Kotsubo, V Bennett, DA Croce, MP Rabin, MW Schmidt, DR Ullom, JN AF Kotsubo, V. Bennett, D. A. Croce, M. P. Rabin, M. W. Schmidt, D. R. Ullom, J. N. TI Observation of Bias-Specific Telegraph Noise in Large Transition-Edge Sensors SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Superconducting transition; transition-edge sensors (TESs) ID MICROCALORIMETERS; SPECTROSCOPY AB We have observed anomalous random telegraph noise in discrete regions of voltage bias throughout the superconducting transition in larger transition-edge sensors (TESs). The bimodal nature of these noise features is consistent with thermally activated switching across discrete jumps in the TES resistance. When a TES is biased near one of these regions, or the peak of the pulse response samples one of these regions, the energy resolution suffers. In this manuscript, we will present detailed measurements of these noise features in one of our TESs optimized for alpha-particle spectrometry. C1 [Kotsubo, V.; Bennett, D. A.; Schmidt, D. R.; Ullom, J. N.] NIST, Boulder, CO 80305 USA. [Croce, M. P.; Rabin, M. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kotsubo, V (reprint author), NIST, Boulder, CO 80305 USA. EM Vincent.Kotsubo@nist.gov RI Bennett, Douglas/B-8001-2012 OI Bennett, Douglas/0000-0003-3011-3690 FU U.S. Department of Energy through the Office of Nonproliferation Research and Development FX This work was supported by the U.S. Department of Energy through the Office of Nonproliferation Research and Development. NR 10 TC 3 Z9 3 U1 0 U2 24 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 2100203 DI 10.1109/TASC.2012.2233531 PN 1 PG 3 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800064 ER PT J AU Quaranta, O Cecil, TW Miceli, A AF Quaranta, Orlando Cecil, Thomas W. Miceli, Antonino TI Tungsten Silicide Alloys for Microwave Kinetic Inductance Detectors SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Microwave devices; radiation detectors; silicides; superconducting materials; thin film sensors; X-ray detectors AB Microwave kinetic inductance detectors are used to detect photons over a large range of wavelengths from submillimeter to X-ray. The common material requirements for this application are: high internal quality factor (Q(i)), high kinetic inductance fraction, long quasiparticle lifetime, and in the case of X-ray photons stopping power (i.e., dense, high atomic number materials). Superconducting tungsten silicide alloys have a tunable T-C with silicon content, a high normal state resistivity, and a high density. In this work, we investigate the properties of thin films of tungsten silicide made of two different stoichiometry: WSi2 and W5Si3 with particular attention to their application to microwave kinetic inductance detectors. We present a study of the structural and transport properties of films deposited under different conditions for both stoichiometry. Quarter wavelength microwave coplanar waveguide resonators have been fabricated from films of both stoichiometry and we present measurements of the microwave properties of these films as well as quasiparticle lifetimes using X-ray photons. C1 [Quaranta, Orlando; Cecil, Thomas W.; Miceli, Antonino] Argonne Natl Lab, Argonne, IL 60439 USA. RP Quaranta, O (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM oquaranta@aps.anl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The research carried out at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. NR 14 TC 2 Z9 2 U1 2 U2 40 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 2400104 DI 10.1109/TASC.2012.2232963 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800075 ER PT J AU Roach, WM Beringer, DB Li, Z Clavero, C Lukaszew, RA AF Roach, W. M. Beringer, D. B. Li, Z. Clavero, C. Lukaszew, R. A. TI Magnetic Shielding Larger Than the Lower Critical Field of Niobium in Multilayers SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE NbN; niobium; superconducting accelerator cavities; superconducting films AB The current technology in superconducting radio frequency linear accelerators is based on the use of bulk niobium cavities. However, optimization of bulk technology is approaching the accelerating gradient limit set by the thermodynamic critical field of niobium, H-C = 200 mT. In order to surpass niobium's ultimately achievable accelerating gradient, it has been proposed to use multilayer coatings to shield bulk niobium from higher fields. These multilayer coatings involve alternating superconducting and insulating layers. The superconductor used in this multilayer structure must have a higher H-C than that of niobium. NbN is one such superconductor that has potential application in these multilayer coatings. Recently, it has been shown that NbN can sufficiently shield an underlying niobium layer. However, this reported shielding has never been shown to be above the lower critical field of niobium. In this work, we present NbN multilayers that for the first time are shown to be capable of shielding an underlying niobium layer beyond the lower critical field of bulk niobium. C1 [Roach, W. M.; Beringer, D. B.; Li, Z.; Lukaszew, R. A.] Coll William & Mary, Williamsburg, VA 23187 USA. [Clavero, C.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Roach, WM (reprint author), Coll William & Mary, Williamsburg, VA 23187 USA. EM wmroach@email.wm.edu; dbberinger@email.wm.edu; zli@email.wm.edu; cclavero@lbl.gov; ralukaszew@wm.edu RI Clavero, Cesar/C-4391-2008 OI Clavero, Cesar/0000-0001-6665-3141 FU US Defense Threat Reduction Agency [HDTRA1-10-1-0072] FX This work was supported by the US Defense Threat Reduction Agency (HDTRA1-10-1-0072). NR 10 TC 7 Z9 7 U1 1 U2 27 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 8600203 DI 10.1109/TASC.2012.2234956 PN 3 PG 3 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 081AJ UT WOS:000314286200079 ER PT J AU Roediger, P Cybart, SA Dynes, RC AF Roediger, Peter Cybart, Shane A. Dynes, Robert C. TI Fabrication of Arrays of Nano-Superconducting Quantum Interference Devices Using a Double-Angle Processing Approach SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Electron beam lithography (EBL); high-temperature superconductivity; Josephson junctions; superconducting quantum interference device (SQUID) array; YBCO AB Arrays of superconducting quantum interference devices (SQUIDs) from high-temperature superconductors such as YBCO have been shown to significantly improve the signal-to-noise ratio when compared to single SQUIDs from high-T-C material. This is based on the finding that the voltage response of a current biased array increases by the number of SQUID loops N, while the noise only increases as N-1/2. It is therefore desirable to fabricate array structures with as many SQUIDs placed in series as possible. We present a fabrication technique for SQUID arrays based on ion-damage Josephson Junctions (JJ) that allows for creating virtually any SQUID-array design on any thin-film superconducting materials such as YBCO or MgB2. The fabrication employs electron beam lithography (EBL) to write the SQUID-array, electrical contact pads and JJ fine lines in a single lithography step. It is performed on a thick trilayer structure that allows for high-aspect ratio features. The superior resolution of EBL makes SQUID loop diameters down to a few hundred nanometers possible. Subsequent high-energy ion-implantation creates the JJ. Using low-energy argon ion milling at an angle to the sample shadows the fine lines used for creation of the JJ and transfers the EBL-defined SQUID-array and electrical contact pads into the thin-film superconductor. C1 [Roediger, Peter] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Cybart, Shane A.; Dynes, Robert C.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Cybart, Shane A.; Dynes, Robert C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Roediger, P (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM proediger@ucsd.edu; scybart@berkeley.edu; rdynes@ucsd.edu RI Cybart, Shane/E-3518-2013 FU AFOSR [FA9550-07-1-0493]; ONR [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 AFOSR Grant FA9550-07-1-0493, ONR 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. NR 7 TC 1 Z9 1 U1 5 U2 54 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 1100604 DI 10.1109/TASC.2012.2234321 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800006 ER PT J AU Sabbi, G AF Sabbi, GianLuca TI Nb3Sn IR Quadrupoles for the High Luminosity LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Large Hadron Collider; niobium-tin; superconducting accelerator magnets ID MAGNET AB Intensive magnet R&D efforts are underway to meet the requirements of future colliders and enable new discoveries in High Energy Physics. The LHC luminosity upgrade provides the opportunity to refine the results obtained in proof-of-principle high-field Nb3Sn models and extend them to full-size production magnets, suitable for operation in a challenging accelerator environment. Starting in 2004, the U.S. LHC Accelerator Research Program has developed large aperture Nb3Sn quadrupole models of progressively increasing performance and complexity, with particular emphasis on addressing length scale-up and accelerator quality issues. Significant contributions to this R&D effort were also provided by CERN, initially through magnet assembly and test, and later expanding to coil design and fabrication. At this time, the program is completing the technology demonstration phase and transitioning toward prototyping and production. Key achievements to date and remaining challenges are discussed. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sabbi, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM glsabbi@lbl.gov FU Office of High Energy and Nuclear Physics, U.S. Department of Energy, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of High Energy and Nuclear Physics, U.S. Department of Energy, Fermi National Laboratory [DE-AC02-07CH11259]; Office of High Energy and Nuclear Physics, U.S. Department of Energy, Brookhaven National Laboratory [DE-AC02-98CH10886] FX Manuscript received October 10, 2012; accepted December 5, 2012. Date of publication December 12, 2012; date of current version January 17, 2013. This work was supported in part by the Office of High Energy and Nuclear Physics, U.S. Department of Energy, under Contract DE-AC02-05CH11231 Lawrence Berkeley National Laboratory; Contract DE-AC02-07CH11259 Fermi National Laboratory; and Contract DE-AC02-98CH10886 Brookhaven National Laboratory. NR 31 TC 6 Z9 6 U1 0 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 4000707 DI 10.1109/TASC.2012.2233844 PN 2 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800022 ER PT J AU Solovyov, VF Li, Q Rupich, M Sathyamurthy, S Li, XP AF Solovyov, Vyacheslav F. Li, Qiang Rupich, Martin Sathyamurthy, Srivatsan Li, Xiaoping TI New Pinning Strategies for Second-Generation Wires SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Coated conductors; critical currents; flux pinning; high temperature superconductors; wind energy; yttrium barium copper oxide ID SUPERCONDUCTING THIN-FILMS; HIGH CRITICAL CURRENTS; PRECURSOR FILMS; YBCO FILMS; YBA2CU3O7; NUCLEATION; SITES; FIELD AB In the last several years, second-generation (2G) superconducting wires have been considered for applications in rotating machines operating in the 20-40 K temperature range in 1-3 T magnetic fields. Here, we outline several novel strategies for improving the low-temperature performance of second-generation wires by utilizing the in-plane strain of thick YBCO layers manufactured by the reel-to-reel metal-organic deposition (MOD) method. First, we show that he strain-induced pinning mechanism analysis, based on the Eshelby model of the elastically-strained composites, predicts that small YBCO grain size is a critical component of a strong pinning architecture. Second, we describe how the in-plane strain can be controlled by processing parameters. Systematic changes of the in-plane structure and YBCO grain size are mapped with respect to the YBCO stability line and the Cu2O-CuO line on the Bormann-Hammond diagram. It is demonstrated that the optimum critical current density is the result of a trade-off between YBCO grain coupling and the strain-induced pinning. C1 [Solovyov, Vyacheslav F.; Li, Qiang] Brookhaven Natl Lab, Upton, NY 11973 USA. [Rupich, Martin; Sathyamurthy, Srivatsan; Li, Xiaoping] Amer Superconductor Corp, Devens, MA 01434 USA. RP Solovyov, VF (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM solov@bnl.gov; qiangli@bnl.gov; mrupich@amsc.com; Srivatsan.Sathyamurthy@amsc.com; xli@amsc.com OI Solovyov, Vyacheslav/0000-0003-1879-9802 FU US Department of Energy, Advanced Research Projects Agency-Energy (ARPA-E) [DE-AR0000190]; Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; US Department of Energy; US Department of Energy, Office of Basic Energy Sciences FX Manuscript received October 9, 2012; accepted November 23, 2012. Date of publication December 20, 2012; date of current version January 22, 2013. This work was supported in part by the US Department of Energy, Advanced Research Projects Agency-Energy (ARPA-E), under award DE-AR0000190. This manuscript has been authored by Brookhaven Science Associates, LLC under Contract DE-AC02-98CH10886 with the US Department of Energy. The work at Brookhaven National Laboratory and American Superconductor Corporation was supported in part by the US Department of Energy, Advanced Research Projects Agency-Energy (ARPA-E), award DE-AR0000190. Research was carried out in part at the Center for Functional Nanomaterials and National Synchrotron Light Source (Beamline X-18A), Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences. NR 37 TC 0 Z9 0 U1 2 U2 94 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 JUN PY 2013 VL 23 IS 3 AR 6600905 DI 10.1109/TASC.2012.2234322 PN 3 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 081AJ UT WOS:000314286200025 ER PT J AU Wu, SM Cybart, SA Anton, SM Dynes, RC AF Wu, S. M. Cybart, Shane A. Anton, S. M. Dynes, R. C. TI Simulation of Series Arrays of Superconducting Quantum Interference Devices SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Array; Josephson junction; simulation; SQUID ID FILTERS AB The voltage as a function of applied magnetic field (V-B) was calculated for arrays of superconducting quantum interference devices (SQUIDs) connected in series. Comparisons were made between arrays of equal area SQUIDs and superconducting quantum interference filters (SQIFs). The areas for the SQIFs were varied exponentially, so that the V-B had a sharp minimum at zero field. We used equations for the dc SQUID based on resistively shunted junctions, with typical parameters for YBa2Cu3O7-delta ion damage Josephson junctions. The maximum transfer coefficient of the central minimum V-B = (partial derivative V/partial derivative B)(max) of the SQIF decreases as the area range increases. We find that the equal area array is more robust to the effects of nonuniform junction critical currents than the SQIF, for the junction parameters and SQUID area distributions chosen. Furthermore, we find that slight variations (similar to 5%) to the area due to fabrication irregularities have little effect on the central minimum of V-B for either device. C1 [Wu, S. M.; Cybart, Shane A.; Anton, S. M.; Dynes, R. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wu, S. M.; Cybart, Shane A.; Anton, S. M.; Dynes, R. C.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Dynes, R. C.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Wu, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM wuszor@gmail.com RI Cybart, Shane/E-3518-2013 FU AFOSR [FA9550-07-1-0493]; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by AFOSR Grant FA9550-07-1-0493 and U.S. Department of Energy Contract DE-AC02-05CH11231. NR 18 TC 8 Z9 8 U1 4 U2 21 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 1600104 DI 10.1109/TASC.2012.2227645 PN 1 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080ZM UT WOS:000314283800032 ER PT J AU Zlobin, AV Andreev, N Apollinari, G Auchmann, B Barzi, E Bossert, R Chlachidze, G Karppinen, M Nobrega, F Novitski, I Rossi, L Smekens, D Turrioni, D Yamada, R AF Zlobin, A. V. Andreev, N. Apollinari, G. Auchmann, B. Barzi, E. Bossert, R. Chlachidze, G. Karppinen, M. Nobrega, F. Novitski, I. Rossi, L. Smekens, D. Turrioni, D. Yamada, R. TI Development and Test of a Single-Aperture 11 T Nb3Sn Demonstrator Dipole for LHC Upgrades SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; large hadron collider; magnet test; superconducting coils ID ACCELERATOR AB The upgrade of the LHC collimation system foresees installation of additional collimators around the LHC ring. The longitudinal space for the collimators could be provided by replacing some 8.33 T NbTi LHC main dipoles with shorter 11 T Nb3Sn dipoles compatible with the LHC lattice and main systems. To demonstrate this possibility, FNAL and CERN have started a joint program with the goal of building a 5.5 m long twin-aperture dipole prototype suitable for installation in the LHC. The first step of this program is the development of a 2 m long single-aperture demonstrator dipole with a nominal field of 11 T at the LHC nominal current of 11.85 kA and similar to 20% margin. This paper describes the design, construction, and test results of the first single-aperture Nb3Sn demonstrator dipole model. C1 [Zlobin, A. V.; Andreev, N.; Apollinari, G.; Barzi, E.; Bossert, R.; Chlachidze, G.; Nobrega, F.; Novitski, I.; Turrioni, D.; Yamada, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Auchmann, B.; Karppinen, M.; Rossi, L.; Smekens, D.] CERN, European Org Nucl Res, CH-1211 Geneva 23, Switzerland. RP Zlobin, AV (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM zlobin@fnal.gov; andreev@fnal.gov; apollina@fnal.gov; bernhard.auchmann@cern.ch; barzi@fnal.gov; bossert@fnal.gov; guram@fnal.gov; Mikko.Karppinen@cern.ch; nobrega@fnal.gov; novitski@fnal.gov; Lucio.Rossi@cern.ch; david.smekens@cern.ch; turrioni@fnal.gov; yamada@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; European Commission [284404] FX Manuscript received October 9, 2012; accepted November 13, 2012. Date of publication December 24, 2012; date of current version January 28, 2013. This work was supported by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy and European Commission under FP7 Project HiLumi LHC, GA no. 284404. NR 15 TC 16 Z9 16 U1 0 U2 18 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2013 VL 23 IS 3 AR 4000904 DI 10.1109/TASC.2012.2236138 PN 2 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 080WW UT WOS:000314275800024 ER PT J AU Green, DE Adler, BJ Chan, ME Lennon, JJ Acerbo, AS Miller, LM Rubin, CT AF Green, Danielle E. Adler, Benjamin J. Chan, Meilin Ete Lennon, James J. Acerbo, Alvin S. Miller, Lisa M. Rubin, Clinton T. TI Altered Composition of Bone as Triggered by Irradiation Facilitates the Rapid Erosion of the Matrix by Both Cellular and Physicochemical Processes SO PLOS ONE LA English DT Article ID ACUTE LYMPHOBLASTIC-LEUKEMIA; MECHANICAL-PROPERTIES; TRABECULAR BONE; ALLOGRAFT BONE; SPECTROSCOPIC CHARACTERIZATION; BIOMECHANICAL PROPERTIES; MINERALIZED TISSUES; GAMMA-IRRADIATION; ELASTIC-MODULUS; CORTICAL BONE AB Radiation rapidly undermines trabecular architecture, a destructive process which proceeds despite a devastated cell population. In addition to the 'biologically orchestrated' resorption of the matrix by osteoclasts, physicochemical processes enabled by a damaged matrix may contribute to the rapid erosion of bone quality. 8w male C57BL/6 mice exposed to 5 Gy of Cs-137 gamma-irradiation were compared to age-matched control at 2d, 10d, or 8w following exposure. By 10d, irradiation had led to significant loss of trabecular bone volume fraction. Assessed by reflection-based Fourier transform infrared imaging (FTIRI), chemical composition of the irradiated matrix indicated that mineralization had diminished at 2d by -4.3 +/- 4.8%, and at 10d by -5.8 +/- 3.2%. These data suggest that irradiation facilitates the dissolution of the matrix through a change in the material itself, a conclusion supported by a 13.7 +/- 4.5% increase in the elastic modulus as measured by nanoindentation. The decline in viable cells within the marrow of irradiated mice at 2d implies that the immediate collapse of bone quality and inherent increased risk of fracture is not solely a result of an overly-active biologic process, but one fostered by alterations in the material matrix that predisposes the material to erosion. C1 [Green, Danielle E.; Adler, Benjamin J.; Chan, Meilin Ete; Lennon, James J.; Acerbo, Alvin S.; Miller, Lisa M.; Rubin, Clinton T.] SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. [Acerbo, Alvin S.; Miller, Lisa M.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Rubin, CT (reprint author), SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. EM clinton.rubin@stonybrook.edu FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Institutes of Health [AR43498, RR23782] FX Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Funding for this research was also provided by National Institutes of Health AR43498 and RR23782. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 42 TC 10 Z9 10 U1 1 U2 8 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 31 PY 2013 VL 8 IS 5 AR e64952 DI 10.1371/journal.pone.0064952 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 156DC UT WOS:000319799900146 PM 23741433 ER PT J AU Ziebert, F Aranson, IS AF Ziebert, Falko Aranson, Igor S. TI Effects of Adhesion Dynamics and Substrate Compliance on the Shape and Motility of Crawling Cells SO PLOS ONE LA English DT Article ID LAMELLIPODIAL CONTRACTIONS; ACTIN CYTOSKELETON; CELLULAR MOTILITY; SELF-POLARIZATION; MODEL; ORGANIZATION; LOCOMOTION; MIGRATION; FORCE; COMPLEXES AB Computational modeling of eukaryotic cells moving on substrates is an extraordinarily complex task: many physical processes, such as actin polymerization, action of motors, formation of adhesive contacts concomitant with both substrate deformation and recruitment of actin etc., as well as regulatory pathways are intertwined. Moreover, highly nontrivial cell responses emerge when the substrate becomes deformable and/or heterogeneous. Here we extended a computational model for motile cell fragments, based on an earlier developed phase field approach, to account for explicit dynamics of adhesion site formation, as well as for substrate compliance via an effective elastic spring. Our model displays steady motion vs. stick-slip transitions with concomitant shape oscillations as a function of the actin protrusion rate, the substrate stiffness, and the rates of adhesion. Implementing a step in the substrate's elastic modulus, as well as periodic patterned surfaces exemplified by alternating stripes of high and low adhesiveness, we were able to reproduce the correct motility modes and shape phenomenology found experimentally. We also predict the following nontrivial behavior: the direction of motion of cells can switch from parallel to perpendicular to the stripes as a function of both the adhesion strength and the width ratio of adhesive to non-adhesive stripes. C1 [Ziebert, Falko] Univ Freiburg, Inst Phys, D-79106 Freiburg, Germany. [Ziebert, Falko] Inst Charles Sadron, F-67083 Strasbourg, France. [Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Aranson, Igor S.] Northwestern Univ, Evanston, IL USA. RP Aranson, IS (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM aronson@anl.gov RI Aranson, Igor/I-4060-2013 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, [DE-AC02-06CH11357]; DFG [IRTG 1642] FX Supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under Contract DE-AC02-06CH11357 (ISA) and by the DFG via IRTG 1642 Soft Matter Science (FZ). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 49 TC 33 Z9 33 U1 2 U2 41 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 31 PY 2013 VL 8 IS 5 AR e64511 DI 10.1371/journal.pone.0064511 PG 14 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 156DC UT WOS:000319799900047 PM 23741334 ER PT J AU Grim, CJ Kotewicz, ML Power, KA Gopinath, G Franco, AA Jarvis, KG Yan, QQ Jackson, SA Sathyamoorthy, V Hu, L Pagotto, F Iversen, C Lehner, A Stephan, R Fanning, S Tall, BD AF Grim, Christopher J. Kotewicz, Michael L. Power, Karen A. Gopinath, Gopal Franco, Augusto A. Jarvis, Karen G. Yan, Qiong Q. Jackson, Scott A. Sathyamoorthy, Venugopal Hu, Lan Pagotto, Franco Iversen, Carol Lehner, Angelika Stephan, Roger Fanning, Seamus Tall, Ben D. TI Pan-genome analysis of the emerging foodborne pathogen Cronobacter spp. suggests a species-level bidirectional divergence driven by niche adaptation SO BMC GENOMICS LA English DT Article ID INFANT MILK FORMULA; ENTEROBACTER-SAKAZAKII; THERMAL-RESISTANCE; VIBRIO-CHOLERAE; V. CHOLERAE; RPOB GENE; SEQUENCE; FOOD; IDENTIFICATION; PERSISTENCE AB Background: Members of the genus Cronobacter are causes of rare but severe illness in neonates and preterm infants following the ingestion of contaminated infant formula. Seven species have been described and two of the species genomes were subsequently published. In this study, we performed comparative genomics on eight strains of Cronobacter, including six that we sequenced (representing six of the seven species) and two previously published, closed genomes. Results: We identified and characterized the features associated with the core and pan genome of the genus Cronobacter in an attempt to understand the evolution of these bacteria and the genetic content of each species. We identified 84 genomic regions that are present in two or more Cronobacter genomes, along with 45 unique genomic regions. Many potentially horizontally transferred genes, such as lysogenic prophages, were also identified. Most notable among these were several type six secretion system gene clusters, transposons that carried tellurium, copper and/or silver resistance genes, and a novel integrative conjugative element. Conclusions: Cronobacter have diverged into two clusters, one consisting of C. dublinensis and C. muytjensii (Cdub-Cmuy) and the other comprised of C. sakazakii, C. malonaticus, C. universalis, and C. turicensis, (Csak-Cmal-Cuni-Ctur) from the most recent common ancestral species. While several genetic determinants for plant-association and human virulence could be found in the core genome of Cronobacter, the four Cdub-Cmuy clade genomes contained several accessory genomic regions important for survival in a plant-associated environmental niche, while the Csak-Cmal-Cuni-Ctur clade genomes harbored numerous virulence-related genetic traits. C1 [Grim, Christopher J.; Kotewicz, Michael L.; Gopinath, Gopal; Franco, Augusto A.; Jarvis, Karen G.; Jackson, Scott A.; Sathyamoorthy, Venugopal; Hu, Lan; Tall, Ben D.] FDA, CFSAN, Laurel, MD USA. [Grim, Christopher J.; Hu, Lan] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Power, Karen A.; Yan, Qiong Q.; Fanning, Seamus] Univ Coll Dublin, Sch Publ Hlth Physiotherapy & Populat Sci, UCD Ctr Food Safety, Dublin 2, Ireland. [Power, Karen A.; Yan, Qiong Q.; Fanning, Seamus] WHO Collaborating Ctr Cronobacter, Dublin, Ireland. [Pagotto, Franco] Hlth Canada, Bur Dangers Microbiens, Bur Microbial Hazards, Food Directorate,Direct Aliments, Ottawa, ON K1A 0L2, Canada. [Pagotto, Franco] Ctr Recherches Sir FG Banting, Sir FG Banting Res Ctr, Ottawa, ON, Canada. [Iversen, Carol] Nestle Res Ctr, CH-1000 Lausanne, Switzerland. [Lehner, Angelika; Stephan, Roger] Univ Zurich, Inst Food Safety & Hyg, Zurich, Switzerland. RP Tall, BD (reprint author), FDA, CFSAN, Laurel, MD USA. EM ben.tall@fda.hhs.gov OI Fanning, Seamus/0000-0002-1922-8836; Tall, Ben/0000-0003-0399-3629 FU U.S. FDA FX We thank Lisa Sadzewicz and Luke Tallon and other support members of the Institute for Genome Sciences at the University of Maryland for their contributions to this work. We thank Christopher Elkins, Barbara McCardell, and Kevin Gaido for their help in reviewing this manuscript. The funds supporting this work were obtained internally through U.S. FDA appropriations. NR 54 TC 20 Z9 21 U1 1 U2 30 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD MAY 31 PY 2013 VL 14 AR 366 DI 10.1186/1471-2164-14-366 PG 16 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 161DY UT WOS:000320173100001 PM 23724777 ER PT J AU Cai, F Sutter, M Cameron, JC Stanley, DN Kinney, JN Kerfeld, CA AF Cai, Fei Sutter, Markus Cameron, Jeffrey C. Stanley, Desiree N. Kinney, James N. Kerfeld, Cheryl A. TI The Structure of CcmP, a Tandem Bacterial Microcompartment Domain Protein from the beta-Carboxysome, Forms a Subcompartment Within a Microcompartment SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID SHELL PROTEIN; ELECTRON CRYOTOMOGRAPHY; IDENTIFICATION; ORGANIZATION; ORGANELLES; SOFTWARE; FEATURES; GENOME; OPERON AB The carboxysome is a bacterial organelle found in all cyanobacteria; it encapsulates CO2 fixation enzymes within a protein shell. The most abundant carboxysome shell protein contains a single bacterial microcompartment (BMC) domain. We present in vivo evidence that a hypothetical protein (dubbed CcmP) encoded in all beta-cyanobacterial genomes is part of the carboxysome. We show that CcmP is a tandem BMC domain protein, the first to be structurally characterized from a beta-carboxysome. CcmP forms a dimer of tightly stacked trimers, resulting in a nanocompartment-containing shell protein that may weakly bind 3-phosphoglycerate, the product of CO2 fixation. The trimers have a large central pore through which metabolites presumably pass into the carboxysome. Conserved residues surrounding the pore have alternate side-chain conformations suggesting that it can be open or closed. Furthermore, CcmP and its orthologs in alpha-cyanobacterial genomes form a distinct clade of shell proteins. Members of this subgroup are also found in numerous heterotrophic BMC-associated gene clusters encoding functionally diverse bacterial organelles, suggesting that the potential to form a nanocompartment within a microcompartment shell is widespread. Given that carboxysomes and architecturally related bacterial organelles are the subject of intense interest for applications in synthetic biology/metabolic engineering, our results describe a new type of building block with which to functionalize BMC shells. C1 [Cai, Fei; Sutter, Markus; Kinney, James N.; Kerfeld, Cheryl A.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Cai, Fei; Cameron, Jeffrey C.; Stanley, Desiree N.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Synthet Biol Inst, Berkeley, CA 94720 USA. RP Kerfeld, CA (reprint author), US DOE, Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM ckerfeld@lbl.gov OI Sutter, Markus/0000-0001-6290-4820 FU National Science Foundation [MCB0851094, EF1105897]; Swiss National Science Foundation; Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy [DE-AC02-05CH11231] FX 1 Supported by National Science Foundation Grant MCB0851094.; 2 Supported by a postdoctoral fellowship from the Swiss National Science Foundation.; 3 Supported by National Science Foundation Grant EF1105897.; We thank the staff at the Advanced Light Source, Lawrence Berkeley National Laboratory, which is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under Contract No. DE-AC02-05CH11231. We thank Annette Salmeen for help in synchrotron data collection and Kent McDonald and Reena Zalpuri at the Electron Microscope Laboratory of the University of California, Berkeley, for help with electron microscopy. We thank Seth D. Axen and Kirsten Fagnan for help with Rosetta-Docking and running modeling jobs on the supercomputing cluster Genepool at The National Energy Research Scientific Computing Center. We also thank Seth D. Axen, Jonathan Lassila, and Beth Wurzburg for critical reading of the manuscript. NR 41 TC 22 Z9 23 U1 2 U2 32 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD MAY 31 PY 2013 VL 288 IS 22 BP 16055 EP 16063 DI 10.1074/jbc.M113.456897 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 156LA UT WOS:000319822300056 PM 23572529 ER PT J AU de Carvalho, LC Schleife, A Furthmuller, J Bechstedt, F AF de Carvalho, Luiz Claudio Schleife, Andre Furthmueller, Juergen Bechstedt, Friedhelm TI Ab initio calculation of optical properties with excitonic effects in wurtzite InxGa1-xN and InxAl1-xN alloys SO PHYSICAL REVIEW B LA English DT Article ID ELECTRON-HOLE EXCITATIONS; QUASI-PARTICLE ENERGIES; AUGMENTED-WAVE METHOD; FUNDAMENTAL-BAND GAP; DIELECTRIC FUNCTION; 1ST PRINCIPLES; INGAN ALLOYS; SEMICONDUCTORS; INN; SPECTRA AB By combining modern many-body approaches with a cluster expansion scheme, frequency-dependent dielectric functions including excitonic and local-field effects are computed for wurtzitic group-III nitride alloys with varying composition x. The quasiparticle electronic structure required to construct the quasielectron-quasihole pair Hamiltonian for each cluster is approximated using a LDA + U + Delta approach. Two different cluster statistics are employed to perform configurational averages for the frequency-dependent complex dielectric functions. Comparing the resulting composition dependence of peak positions and intensities to experimental data allows conclusions regarding the distribution of the group-III cations in the alloys. C1 [de Carvalho, Luiz Claudio; Furthmueller, Juergen; Bechstedt, Friedhelm] Univ Jena, Inst Festkorpertheorie & Opt, D-07743 Jena, Germany. [Schleife, Andre] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. RP de Carvalho, LC (reprint author), Univ Jena, Inst Festkorpertheorie & Opt, Max Wien Pl 1, D-07743 Jena, Germany. EM lccfisica@gmail.com FU European Community's Seventh Framework Programme within the EU ITN RAINBOW [2008-2133278]; US Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07A27344] FX We thank C. Rodl for interesting scientific discussions. The research presented here has received funding from the European Community's Seventh Framework Programme within the EU ITN RAINBOW (Grant No. 2008-2133278). Part of this work was performed under the auspices of the US Department of Energy at Lawrence Livermore National Laboratory under Contract No. DE-AC52-07A27344. NR 84 TC 6 Z9 6 U1 1 U2 25 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 MAY 31 PY 2013 VL 87 IS 19 AR 195211 DI 10.1103/PhysRevB.87.195211 PG 12 WC Physics, Condensed Matter SC Physics GA 156EB UT WOS:000319802900002 ER PT J AU Delaire, O Al-Qasir, II Ma, J dos Santos, AM Sales, BC Mauger, L Stone, MB Abernathy, DL Xiao, Y Somayazulu, M AF Delaire, O. Al-Qasir, I. I. Ma, J. dos Santos, A. M. Sales, B. C. Mauger, L. Stone, M. B. Abernathy, D. L. Xiao, Y. Somayazulu, M. TI Effects of temperature and pressure on phonons in FeSi1-xAlx SO PHYSICAL REVIEW B LA English DT Article ID NUCLEAR RESONANT SCATTERING; AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; EPSILON-FESI; STATIC COMPRESSION; THERMAL DISORDER; METAL; SEMICONDUCTOR; INSULATOR; TRANSITION AB The effects of temperature and pressure on phonons in B20 compounds FeSi1-xAlx were measured using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering. The effect of hole doping through Al substitution is compared to results of alloying with Co (electron doping) in Fe1-xCoxSi. While the temperature dependence of phonons in FeSi is highly anomalous, doping with either type of carriers leads to a recovery of the normal quasiharmonic behavior. Density functional theory (DFT) computations of the electronic band structure and phonons were performed. The anomaly in the temperature dependence of the phonons in undoped FeSi was related to the narrow band gap, and its sensitivity to the effect of thermal disordering by phonons. On the other hand, the pressure dependence of phonons at room temperature in undoped FeSi follows the quasiharmonic behavior and is well reproduced by the DFT calculations. C1 [Delaire, O.; Al-Qasir, I. I.; Ma, J.; dos Santos, A. M.; Sales, B. C.; Stone, M. B.; Abernathy, D. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Mauger, L.] CALTECH, Pasadena, CA 91125 USA. [Xiao, Y.] Carnegie Inst Sci, Geophys Lab, HPCAT, Argonne, IL 60439 USA. [Somayazulu, M.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. RP Delaire, O (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RI Stone, Matthew/G-3275-2011; Abernathy, Douglas/A-3038-2012; Ma, Jie/C-1637-2013; dos Santos, Antonio/A-5602-2016; BL18, ARCS/A-3000-2012 OI Stone, Matthew/0000-0001-7884-9715; Abernathy, Douglas/0000-0002-3533-003X; dos Santos, Antonio/0000-0001-6900-0816; FU US Department of Energy (DOE), Office of Basic Energy Sciences, Materials Sciences and Engineering Division; US DOE, Office of Basic Energy Sciences, as part of an Energy Frontier Research Center, DOE [DE-SC0001299]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, DOE; DOE-BES [DE-AC02-06CH11357]; DOE-NNSA (CDAC); NSF; DOD TACOM; W. M. Keck Foundation FX O.D. and B.S. acknowledge funding from the US Department of Energy (DOE), Office of Basic Energy Sciences, Materials Sciences and Engineering Division. J.M. was supported by the US DOE, Office of Basic Energy Sciences, as part of an Energy Frontier Research Center, DOE Grant DE-SC0001299. The phonon modeling work was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US DOE. The Research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, DOE. Use of the HPCAT facility was supported by DOE-BES, DOE-NNSA (CDAC), NSF, DOD TACOM, and the W. M. Keck Foundation. Use of the APS was supported by DOE-BES, under Contract No. DE-AC02-06CH11357. NR 56 TC 9 Z9 9 U1 0 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2013 VL 87 IS 18 AR 184304 DI 10.1103/PhysRevB.87.184304 PG 8 WC Physics, Condensed Matter SC Physics GA 156DQ UT WOS:000319801700003 ER PT J AU Liu, WL Peng, XY Wei, XL Yang, H Stocks, GM Zhong, JX AF Liu, Wenliang Peng, Xiangyang Wei, Xiaolin Yang, Hong Stocks, G. Malcolm Zhong, Jianxin TI Surface and substrate induced effects on thin films of the topological insulators Bi2Se3 and Bi2Te3 SO PHYSICAL REVIEW B LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; THERMOELECTRIC PROPERTIES; BISMUTH TELLURIDE; SEMICONDUCTORS; NANORIBBONS; TRANSPORT; LIMIT AB Based on van der Waals density functional calculations, we have studied few-quintuple-layer (QL) films of Bi2Se3 and Bi2Te3. The separation between the QLs near the surface is found to have a large increase after relaxation, whereas, the separation between the inner QLs is smaller and approaches the bulk value as the thickness grows, showing a two-dimensional to three-dimensional structural crossover. Accordingly, the surface Dirac cone of the Bi2Se3 film is evidently gapped for small thicknesses (two to four QLs), and the gap is reduced and, finally, is closed with the increasing thickness, agreeing well with the experiments. We further studied the substrate effect by investigating the Bi2Se3/graphene system. It is found that the underlying graphene induces a giant thickness-dependent Rashba splitting and Dirac point shift. Because Bi2Te3 films have smaller relative inter-QL expansion and stronger spin-orbit coupling, the topological features start to appear in the film as thin as two QLs in good accord with the experiments. C1 [Liu, Wenliang; Peng, Xiangyang; Wei, Xiaolin; Yang, Hong; Zhong, Jianxin] Xiangtan Univ, Hunan Key Lab Micro Nano Energy Mat & Devices, Xiangtan 411105, Hunan, Peoples R China. [Liu, Wenliang; Peng, Xiangyang; Wei, Xiaolin; Yang, Hong; Zhong, Jianxin] Xiangtan Univ, Fac Mat & Optoelect Phys, Lab Quantum Engn & Micro Nano Energy Technol, Xiangtan 411105, Hunan, Peoples R China. [Stocks, G. Malcolm] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Liu, WL (reprint author), Xiangtan Univ, Hunan Key Lab Micro Nano Energy Mat & Devices, Xiangtan 411105, Hunan, Peoples R China. EM xiangyang_peng@xtu.edu.cn; jxzhong@xtu.edu.cn RI Stocks, George Malcollm/Q-1251-2016 OI Stocks, George Malcollm/0000-0002-9013-260X FU National Natural Science Foundation of China [11074211, 11274265, 11204262, 11274262]; National Basic Research Program of China [2012CB921303]; Furong Scholar Program of Hunan Provincial Government; Research Foundation of Education Bureau of Hunan Province, China [10A118]; Specialized Research Fund for the Doctoral Program of Higher Education of China [20124301120006]; US Department of Energy (DOE), Materials Sciences and Engineering Division, Office of Basic Energy Sciences; Oak Ridge Institute for Science and Education (ORISE) HERE Program FX The authors acknowledge the support of the National Natural Science Foundation of China (Grants No. 11074211, No. 11274265, No. 11204262, and No. 11274262), National Basic Research Program of China (Grant No. 2012CB921303), Furong Scholar Program of Hunan Provincial Government, the Research Foundation of Education Bureau of Hunan Province, China (Grant No. 10A118), the Project supported by the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20124301120006), the US Department of Energy (DOE), Materials Sciences and Engineering Division, Office of Basic Energy Sciences (G.M.S.), and the Oak Ridge Institute for Science and Education (ORISE) HERE Program (J.Z.). NR 29 TC 27 Z9 27 U1 2 U2 97 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2013 VL 87 IS 20 AR 205315 DI 10.1103/PhysRevB.87.205315 PG 6 WC Physics, Condensed Matter SC Physics GA 156EE UT WOS:000319803200007 ER PT J AU Park, SR Morinari, T Song, DJ Leem, CS Kim, C Choi, SK Choi, K Kim, JH Schmitt, F Mo, SK Lu, DH Shen, ZX Eisaki, H Tohyama, T Han, JH Kim, C AF Park, Seung Ryong Morinari, Takao Song, Dong Joon Leem, Choon Shik Kim, Chul Choi, Sung Kyun Choi, Kyujin Kim, Jae Hoon Schmitt, Felix Mo, Sung Kwan Lu, Dong Hui Shen, Zhi-Xun Eisaki, Hiroshi Tohyama, Takami Han, Jung Hoon Kim, Changyoung TI Interaction of itinerant electrons and spin fluctuations in electron-doped cuprates SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION-TEMPERATURE SUPERCONDUCTOR; COPPER OXIDES; PHOTOEMISSION; MONOLAYER; STRENGTH AB We performed angle-resolved photoemission and optical studies on electron-doped high-temperature superconductors (HTSCs), and compared the results with various theoretical models. Based on the fit to the experimental data, we conclude that itinerant electrons in the nonmagnetic phase predominantly couple to the phase fluctuations of the remnant antiferromagnetic (AF) order, rather than to the spin excitations derived from particle-hole pairs. Our observation naturally accounts for the pseudogap phenomenon and other experimental facts in electron-doped HTSCs in terms of the size of the remnant moment and the AF-correlation length. We propose a microscopic model based on the phase fluctuation scenario which leads to a d-wave pairing gap. C1 [Park, Seung Ryong; Song, Dong Joon; Leem, Choon Shik; Kim, Chul; Choi, Sung Kyun; Choi, Kyujin; Kim, Jae Hoon; Kim, Changyoung] Yonsei Univ, Inst Phys & Appl Phys, Seoul 120749, South Korea. [Park, Seung Ryong] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Morinari, Takao; Tohyama, Takami] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. [Schmitt, Felix; Shen, Zhi-Xun] Stanford Univ, Stanford Inst Mat & Energy Sci, Stanford, CA 94305 USA. [Schmitt, Felix; Shen, Zhi-Xun] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Schmitt, Felix; Shen, Zhi-Xun] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Schmitt, Felix; Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Mo, Sung Kwan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Advanced Light Source, Berkeley, CA 94720 USA. [Lu, Dong Hui] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Eisaki, Hiroshi] AIST, Nanoelect Res Inst, Tsukuba, Ibaraki 3058568, Japan. [Tohyama, Takami] JST Transformat Res Project Iron Pnictides TRIP, Chiyoda Ku, Tokyo 1020075, Japan. [Han, Jung Hoon] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Han, Jung Hoon] Sungkyunkwan Univ, Phys Res Div BK21, Suwon 440746, South Korea. [Han, Jung Hoon] POSTECH, Asia Pacific Ctr Theoret Phys, Pohang 790784, Gyeongbuk, South Korea. RP Park, SR (reprint author), Yonsei Univ, Inst Phys & Appl Phys, Seoul 120749, South Korea. EM changyoung@yonsei.ac.kr RI Mo, Sung-Kwan/F-3489-2013 OI Mo, Sung-Kwan/0000-0003-0711-8514 FU KICOS through the National Research Foundation of Korea [K20602000008]; Global Research Laboratory through the National Research Foundation of Korea [2011-00329]; Converging Research Center Program through the Ministry of Education, Science, and Technology [2012K001245]; Seoul City government FX S.R.P. thanks D. Parshall for helpful discussions. This work was supported by the KICOS (Grant No. K20602000008), Global Research Laboratory (Grant No. 2011-00329) through the National Research Foundation of Korea and the Converging Research Center Program (Grant No. 2012K001245) through the Ministry of Education, Science, and Technology. SSRL and ALS are operated by the DOE's Office of BES, Division of Materials Science. S.R.P. acknowledges support through the Seoul City government. NR 48 TC 3 Z9 3 U1 2 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2013 VL 87 IS 17 AR 174527 DI 10.1103/PhysRevB.87.174527 PG 9 WC Physics, Condensed Matter SC Physics GA 156DM UT WOS:000319801300004 ER PT J AU Xi, XX Dai, YM Homes, CC Kidszun, M Haindl, S Carr, GL AF Xi, Xiaoxiang Dai, Y. M. Homes, C. C. Kidszun, M. Haindl, S. Carr, G. L. TI Evidence of a full gap in LaFeAsO1-xFx thin films from infrared spectroscopy SO PHYSICAL REVIEW B LA English DT Article ID QUASI-PARTICLE; SUPERCONDUCTORS; LIFETIMES; DYNAMICS AB We report conventional and time-resolved infrared spectroscopy on LaFeAsO1-xFx superconducting thin films. The far-infrared transmission can be quantitatively explained by a two-component model including a conventional s-wave superconducting term and a Drude term, suggesting at least one carrier system has a full superconducting gap. Photoinduced studies of excess quasiparticle dynamics reveal a nanosecond effective recombination time and temperature dependence that strongly support a recombination bottleneck in the presence of a full gap. The two experiments provide consistent evidence of a full, nodeless, though not necessarily isotropic, gap for at least one carrier system in LaFeAsO1-xFx. C1 [Xi, Xiaoxiang; Carr, G. L.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Dai, Y. M.; Homes, C. C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Kidszun, M.; Haindl, S.] Leibniz Inst Solid State & Mat Res Dresden, Inst Solid State Res, D-01069 Dresden, Germany. RP Xi, XX (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI Dai, Yaomin/E-4259-2016 OI Dai, Yaomin/0000-0002-2464-3161 FU US Department of Energy [DE-AC02-98CH10886]; German Research Foundation [HA5934/1-1] FX We thank Qiang Li for providing a bare substrate. This work was supported by the US Department of Energy through Contract No. DE-AC02-98CH10886. S.H. and M.K. acknowledge financial funding by the German Research Foundation under project HA5934/1-1. NR 43 TC 8 Z9 8 U1 2 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2013 VL 87 IS 18 AR 180509 DI 10.1103/PhysRevB.87.180509 PG 5 WC Physics, Condensed Matter SC Physics GA 156DQ UT WOS:000319801700002 ER PT J AU Zhou, HD Zhao, ZY Sun, XF Suarez, MN Rivas-Murias, B Tsurkan, V Deisenhofer, J Zapf, VS Rivadulla, F AF Zhou, H. D. Zhao, Z. Y. Sun, X. F. Nieto Suarez, M. Rivas-Murias, B. Tsurkan, V. Deisenhofer, J. Zapf, V. S. Rivadulla, F. TI Low-temperature spin excitations in frustrated ZnCr2O4 probed by high-field thermal conductivity SO PHYSICAL REVIEW B LA English DT Article ID RESONATING VALENCE BONDS; SUPERCONDUCTIVITY; ICE AB The magnetoelastic excitations of spin frustrated ZnCr2O4 are studied by the magnetic field dependence of the thermal conductivity k down to 50 mK. Above the first-order magnetostructural transition at T-N,T-S approximate to 12.5 K, spin fluctuations are strongly coupled to acoustic phonons, leading to a glasslike dependence of k(T), up to Theta(CW). In the symmetry broken phase below T-N,T-S, k shows a dominant magnetic contribution even at the lowest temperatures probed in this work. Application of a magnetic field above 2.5 T destabilizes the spin-bond structure, leading to a sudden increase and a nonconventional temperature dependence of the thermal conductivity. The possibility of the coexistence of gapped and gapless excitations in this magnetic phase is discussed. C1 [Zhou, H. D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Zhou, H. D.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32306 USA. [Zhao, Z. Y.; Sun, X. F.] Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Nieto Suarez, M.; Rivas-Murias, B.; Rivadulla, F.] Ctr Invest Quim Biol & Mat Mol CIQUS, Santiago De Compostela 15782, Spain. [Tsurkan, V.; Deisenhofer, J.] Univ Augsburg, Ctr Elect Correlat & Magnetism, D-86159 Augsburg, Germany. [Tsurkan, V.] Moldavian Acad Sci, Inst Appl Phys, MD-2028 Kishinev, Moldova. [Zapf, V. S.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Rivadulla, F (reprint author), Ctr Invest Quim Biol & Mat Mol CIQUS, C Jenaro Fuentes S-N,Campus Vida, Santiago De Compostela 15782, Spain. EM f.rivadulla@usc.es RI Deisenhofer, Joachim/G-8937-2011; Zapf, Vivien/K-5645-2013; Zhou, Haidong/O-4373-2016; Rivas-Murias, Beatriz/G-6549-2013; OI Deisenhofer, Joachim/0000-0002-7645-9390; Zapf, Vivien/0000-0002-8375-4515; Rivas-Murias, Beatriz/0000-0002-8048-5364; Rivadulla, Francisco/0000-0003-3099-0159 FU Ministerio de Economia y Competitividad, Spain [MAT2010-16157]; DFG via TRR 80 (Augsburg-Munich); National Natural Science Foundation of China; National Basic Research Program of China [2009CB929502, 2011CBA00111]; Fundamental Research Funds for the Central Universities [WK2340000035]; Los Alamos National Lab Directed Research Project [2010000043DR] FX We thank C. D. Batista for valuable suggestions and discussion. This work was partially supported by MAT2010-16157 (Ministerio de Economia y Competitividad, Spain) and by the DFG via TRR 80 (Augsburg-Munich). Z.Y.Z. and X.F.S. acknowledge support from the National Natural Science Foundation of China, the National Basic Research Program of China (Grant Nos. 2009CB929502 and 2011CBA00111), and the Fundamental Research Funds for the Central Universities (Program No. WK2340000035). V.Z. acknowledges Los Alamos National Lab Directed Research Project 2010000043DR. NR 26 TC 2 Z9 3 U1 0 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 31 PY 2013 VL 87 IS 17 AR 174436 DI 10.1103/PhysRevB.87.174436 PG 4 WC Physics, Condensed Matter SC Physics GA 156DM UT WOS:000319801300001 ER PT J AU Dusling, K Venugopalan, R AF Dusling, Kevin Venugopalan, Raju TI Comparison of the color glass condensate to dihadron correlations in proton-proton and proton-nucleus collisions SO PHYSICAL REVIEW D LA English DT Article ID P-PB COLLISIONS; ANGULAR-CORRELATIONS; PPB COLLISIONS; LONG-RANGE; SIDE; QCD AB We perform a detailed comparison of long-range rapidity correlations in the color glass condensate framework to high multiplicity dihadron data in proton-proton and proton-lead collisions from the CMS, ALICE and ATLAS experiments at the LHC. The overall good agreement thus far of the nontrivial systematics of theory with data is strongly suggestive of gluon saturation and the presence of subtle quantum interference effects between rapidity separated gluons. In particular, the yield of pairs collimated in their relative azimuthal angle Delta phi similar to 0, is sensitive to the shape of unintegrated gluon distributions in the hadrons that are renormalization group evolved in rapidity from the beam rapidities to those of the measured hadrons. We present estimates for the collimated dihadron yield expected in central deuteron-gold collisions at the Relativistic Heavy Ion Collider. C1 [Dusling, Kevin] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Venugopalan, Raju] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Dusling, K (reprint author), N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. OI Dusling, Kevin/0000-0001-9598-0416 FU U.S. Department of Energy under DOE [DE-FG02-03ER41260, DE-AC02-98CH10886]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We are especially grateful to Jan Fiete Grosse-Oetringhaus, Constantin Loizides, Jiangyong Jia, Wei Li, Gunther Roland, and Anne Sickles for very valuable discussions on experimental issues. We would further like to thank Adam Bzdak, Subhasis Chattopadhyay, Adrian Dumitru, Yuri Kovchegov, Roy Lacey, Larry McLerran, Bjoern Schenke, Prithwish Tribedy as well as Helen Caines, John Harris, and members of their Yale Relativistic Heavy Ion Group for very useful input. K. D. and R. V are supported by the U.S. Department of Energy under DOE Contracts No. DE-FG02-03ER41260 and No. DE-AC02-98CH10886, respectively. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 130 Z9 131 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 31 PY 2013 VL 87 IS 9 AR 094034 DI 10.1103/PhysRevD.87.094034 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 156EQ UT WOS:000319804800003 ER PT J AU Kim, BH Olsen, SL Adachi, I Aihara, H Asner, DM Aulchenko, V Bay, A Belous, K Bhuyan, B Bonvicini, G Bozek, A Bracko, M Browder, TE Chekelian, V Chen, A Cheon, BG Chilikin, K Chistov, R Cho, IS Cho, K Chobanova, V Choi, SK Choi, Y Cinabro, D Dalseno, J Dolezal, Z Eidelman, S Epifanov, D Esen, S Farhat, H Fast, JE Gaur, V Ganguly, S Gillard, R Goh, YM Hayasaka, K Hayashii, H Hoshi, Y Hou, WS Hsiung, YB Hyun, HJ Inami, K Ishikawa, A Itoh, R Itoh, R Julius, T Kah, DH Kang, JH Kapusta, P Kato, E Kichimi, H Kim, HJ Kim, HO Kim, JH Kim, KT Kim, MJ Kim, SK Kim, YJ Kinoshita, K Klucar, J Ko, BR Kodys, P Korpar, S Kouzes, RT Krizan, P Krokovny, P Kumita, T Kuzmin, A Kwon, YJ Lange, JS Lee, SH Li, J Li, X Li, Y Libby, J Liventsev, D Matvienko, D Miyabayashi, K Miyata, H Mizuk, R Mohanty, GB Moll, A Muramatsu, N Mussa, R Nakano, E Nakao, M Nedelkovska, E Ng, C Nisar, NK Nishida, S Nishimura, K Ohshima, T Okuno, S Pakhlov, P Pakhlova, G Park, H Park, HK Peters, M Petric, M Piilonen, LE Ritter, M Ryu, S Sahoo, H Sakai, Y Sandilya, S Sanuki, T Savinov, V Schneider, O Schnell, G Schwanda, C Schwartz, AJ Semmler, D Senyo, K Seon, O Sevior, ME Shapkin, M Shebalin, V Shen, CP Shibata, TA Shiu, JG Shwartz, B Simon, F Smerkol, P Sohn, YS Sokolov, A Solovieva, E Stanic, S Staric, M Sumihama, M Sumiyoshi, T Tamponi, U Tanida, K Tatishvili, G Teramoto, Y Trabelsi, K Uchida, M Uehara, S Uglov, T Unno, Y Uno, S Usov, Y Van Hulse, C Varner, G Vorobyev, V Wagner, MN Wang, CH Wang, P Watanabe, Y Williams, KM Won, E Yamashita, Y Zhilich, V Zupanc, A AF Kim, B. H. Olsen, S. L. Adachi, I. Aihara, H. Asner, D. M. Aulchenko, V. Bay, A. Belous, K. Bhuyan, B. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Chekelian, V. Chen, A. Cheon, B. G. Chilikin, K. Chistov, R. Cho, I. -S. Cho, K. Chobanova, V. Choi, S. -K. Choi, Y. Cinabro, D. Dalseno, J. Dolezal, Z. Eidelman, S. Epifanov, D. Esen, S. Farhat, H. Fast, J. E. Gaur, V. Ganguly, S. Gillard, R. Goh, Y. M. Hayasaka, K. Hayashii, H. Hoshi, Y. Hou, W. -S. Hsiung, Y. B. Hyun, H. J. Inami, K. Ishikawa, A. Itoh, R. Iwasaki, Y. Julius, T. Kah, D. H. Kang, J. H. Kapusta, P. Kato, E. Kichimi, H. Kim, H. J. Kim, H. O. Kim, J. H. Kim, K. T. Kim, M. J. Kim, S. K. Kim, Y. J. Kinoshita, K. Klucar, J. Ko, B. R. Kodys, P. Korpar, S. Kouzes, R. T. Krizan, P. Krokovny, P. Kumita, T. Kuzmin, A. Kwon, Y. -J. Lange, J. S. Lee, S. -H. Li, J. Li, X. Li, Y. Libby, J. Liventsev, D. Matvienko, D. Miyabayashi, K. Miyata, H. Mizuk, R. Mohanty, G. B. Moll, A. Muramatsu, N. Mussa, R. Nakano, E. Nakao, M. Nedelkovska, E. Ng, C. Nisar, N. K. Nishida, S. Nishimura, K. Ohshima, T. Okuno, S. Pakhlov, P. Pakhlova, G. Park, H. Park, H. K. Peters, M. Petric, M. Piilonen, L. E. Ritter, M. Ryu, S. Sahoo, H. Sakai, Y. Sandilya, S. Sanuki, T. Savinov, V. Schneider, O. Schnell, G. Schwanda, C. Schwartz, A. J. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shapkin, M. Shebalin, V. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Shwartz, B. Simon, F. Smerkol, P. Sohn, Y. -S. Sokolov, A. Solovieva, E. Stanic, S. Staric, M. Sumihama, M. Sumiyoshi, T. Tamponi, U. Tanida, K. Tatishvili, G. Teramoto, Y. Trabelsi, K. Uchida, M. Uehara, S. Uglov, T. Unno, Y. Uno, S. Usov, Y. Van Hulse, C. Varner, G. Vorobyev, V. Wagner, M. N. Wang, C. H. Wang, P. Watanabe, Y. Williams, K. M. Won, E. Yamashita, Y. Zhilich, V. Zupanc, A. CA Belle Collaboration TI Search for an H-Dibaryon with a Mass near 2m(Delta) in Y(1S) and Y(2S) Decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID WEAK DECAY; DOUBLE HYPERFRAGMENT AB We report the results of a high-statistics search for H dibaryon production in inclusive Y(1S) and Y(2S) decays. No indication of an H dibaryon with a mass near the M-H = 2m Lambda threshold is seen in either the H -> p pi(-) or Lambda Lambda decay channels and 90% confidence level branching-fraction upper limits are set that are between one and two orders of magnitude below the measured branching fractions for inclusive Y(1S) and Y(2S) decays to antideuterons. Since Y(1S, 2S) decays produce flavor- SU(3)- symmetric final states, these results put stringent constraints on H dibaryon properties. The results are based on analyses of 102 million Y(1S) and 158 million Y(2S) events collected with the Belle detector at the KEKB e(+)e(-) collider. C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country UPV EHU, Bilbao 48080, Spain. [Aulchenko, V.; Eidelman, S.; Epifanov, D.; Krokovny, P.; Kuzmin, A.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vorobyev, V.; Zhilich, V.] Budker Inst Nucl Phys SB RAS, Novosibirsk 630090, Russia. [Aulchenko, V.; Eidelman, S.; Epifanov, D.; Krokovny, P.; Kuzmin, A.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vorobyev, V.; Zhilich, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Dolezal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague, Czech Republic. [Esen, S.; Kinoshita, K.; Schwartz, A. J.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Lange, J. S.; Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Sumihama, M.] Gifu Univ, Gifu 5011193, Japan. [Choi, S. -K.] Gyeongsang Natl Univ, Chinju 660701, South Korea. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Nishimura, K.; Peters, M.; Sahoo, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Itoh, R.; Iwasaki, Y.; Kichimi, H.; Liventsev, D.; Nishida, S.; Sakai, Y.; Trabelsi, K.; Uehara, S.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Schnell, G.] Ikerbasque, Bilbao 48011, Spain. [Bhuyan, B.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Libby, J.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Wang, P.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Belous, K.; Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Mussa, R.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Chilikin, K.; Chistov, R.; Mizuk, R.; Pakhlov, P.; Pakhlova, G.; Uglov, T.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Bracko, M.; Klucar, J.; Korpar, S.; Krizan, P.; Petric, M.; Smerkol, P.; Staric, M.] J Stefan Inst, Ljubljana 1000, Slovenia. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Zupanc, A.] Karlsruher Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Kim, K. T.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Hyun, H. J.; Kah, D. H.; Kim, H. J.; Kim, H. O.; Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Bay, A.; Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Bracko, M.; Korpar, S.] Univ Maribor, Maribor 2000, Slovenia. [Chekelian, V.; Chobanova, V.; Dalseno, J.; Moll, A.; Nedelkovska, E.; Ritter, M.; Simon, F.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Mizuk, R.; Pakhlov, P.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Uglov, T.] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia. [Inami, K.; Ohshima, T.; Shen, C. P.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Hayasaka, K.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan. [Chen, A.] Natl Cent Univ, Chungli 32054, Taiwan. [Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan. [Hou, W. -S.; Hsiung, Y. B.; Shiu, J. -G.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Bozek, A.; Kapusta, P.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. [Miyata, H.] Niigata Univ, Niigata 9502181, Japan. [Stanic, S.] Univ Nova Gorica, Nova Gorica 5000, Slovenia. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Asner, D. M.; Fast, J. E.; Kouzes, R. T.; Tatishvili, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Savinov, V.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Muramatsu, N.] Tohoku Univ, Res Ctr Elect Photon Sci, Sendai, Miyagi 9808578, Japan. [Kim, B. H.; Olsen, S. L.; Kim, S. K.; Li, J.; Li, X.; Ryu, S.; Tanida, K.] Seoul Natl Univ, Seoul 151742, South Korea. [Choi, Y.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Gaur, V.; Mohanty, G. B.; Sandilya, S.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Dalseno, J.; Moll, A.; Simon, F.] Tech Univ Munich, D-85748 Garching, Germany. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Ishikawa, A.; Kato, E.; Sanuki, T.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Aihara, H.; Ng, C.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Kumita, T.; Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Li, Y.; Piilonen, L. E.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Cho, I. -S.; Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.] Yonsei Univ, Seoul 120749, South Korea. RP Kim, BH (reprint author), Seoul Natl Univ, Seoul 151742, South Korea. RI Aihara, Hiroaki/F-3854-2010; Ishikawa, Akimasa/G-6916-2012; Kim, Sun Kee/G-2042-2015; Pakhlov, Pavel/K-2158-2013; Uglov, Timofey/B-2406-2014; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Chilikin, Kirill/B-4402-2014; Chistov, Ruslan/B-4893-2014; Pakhlova, Galina/C-5378-2014; Solovieva, Elena/B-2449-2014 OI Aihara, Hiroaki/0000-0002-1907-5964; Kim, Sun Kee/0000-0002-0013-0775; Pakhlov, Pavel/0000-0001-7426-4824; Uglov, Timofey/0000-0002-4944-1830; Krokovny, Pavel/0000-0002-1236-4667; Chilikin, Kirill/0000-0001-7620-2053; Chistov, Ruslan/0000-0003-1439-8390; Pakhlova, Galina/0000-0001-7518-3022; Solovieva, Elena/0000-0002-5735-4059 FU NII; KEK KEK cryogenics group for efficient solenoid operations; PNNL/EMSL for valuable computing; SINET4; MEXT; MSMT; JSPS; Nagoya's TLPRC (Japan); ARC; DIISR (Australia); NSFC (China); DST (India); INFN (Italy); NRF; GSDC; KISTI; WCU; MNiSW; MES; RFAAE; ARRS; SNSF; NSC; MOE; DOE; NSF [20110029457]; WCU [R32-10155] FX We thank the KEKB group for excellent operation of the accelerator; the KEK cryogenics group for efficient solenoid operations; and the KEK computer group, the NII, and PNNL/EMSL for valuable computing and SINET4 network support. We acknowledge support from MEXT, JSPS and Nagoya's TLPRC (Japan); ARC and DIISR (Australia); NSFC (China); MSMT (Czechia); DST (India); INFN (Italy); MEST, NRF, GSDC of KISTI, and WCU (Korea); MNiSW (Poland); MES and RFAAE (Russia); ARRS (Slovenia); SNSF (Switzerland); NSC and MOE (Taiwan); and DOE and NSF (USA). B.-H. Kim and S.L. Olsen acknowledge support from NRF (Korea) Grant No. 20110029457 and WCU Grant No. R32-10155. NR 30 TC 41 Z9 42 U1 1 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 31 PY 2013 VL 110 IS 22 AR UNSP 222002 DI 10.1103/PhysRevLett.110.222002 PG 6 WC Physics, Multidisciplinary SC Physics GA 156FR UT WOS:000319807700001 PM 23767713 ER PT J AU Williams, RME Grotzinger, JP Dietrich, WE Gupta, S Sumner, DY Wiens, RC Mangold, N Malin, MC Edgett, KS Maurice, S Forni, O Gasnault, O Ollila, A Newsom, HE Dromart, G Palucis, MC Yingst, RA Anderson, RB Herkenhoff, KE Le Mouelic, S Goetz, W Madsen, MB Koefoed, A Jensen, JK Bridges, JC Schwenzer, SP Lewis, KW Stack, KM Rubin, D Kah, LC Bell, JF Farmer, JD Sullivan, R Van Beek, T Blaney, DL Pariser, O Deen, RG AF Williams, R. M. E. Grotzinger, J. P. Dietrich, W. E. Gupta, S. Sumner, D. Y. Wiens, R. C. Mangold, N. Malin, M. C. Edgett, K. S. Maurice, S. Forni, O. Gasnault, O. Ollila, A. Newsom, H. E. Dromart, G. Palucis, M. C. Yingst, R. A. Anderson, R. B. Herkenhoff, K. E. Le Mouelic, S. Goetz, W. Madsen, M. B. Koefoed, A. Jensen, J. K. Bridges, J. C. Schwenzer, S. P. Lewis, K. W. Stack, K. M. Rubin, D. Kah, L. C. Bell, J. F., III Farmer, J. D. Sullivan, R. Van Beek, T. Blaney, D. L. Pariser, O. Deen, R. G. CA MSL Sci Team TI Martian Fluvial Conglomerates at Gale Crater SO SCIENCE LA English DT Article ID CHEMCAM INSTRUMENT SUITE; MERIDIANI-PLANUM; EARLY MARS; ROVER; SEDIMENT; SYSTEM; WATER; UNIT AB Observations by the Mars Science Laboratory Mast Camera (Mastcam) in Gale crater reveal isolated outcrops of cemented pebbles (2 to 40 millimeters in diameter) and sand grains with textures typical of fluvial sedimentary conglomerates. Rounded pebbles in the conglomerates indicate substantial fluvial abrasion. ChemCam emission spectra at one outcrop show a predominantly feldspathic composition, consistent with minimal aqueous alteration of sediments. Sediment was mobilized in ancient water flows that likely exceeded the threshold conditions (depth 0.03 to 0,9 meter, average velocity 0.20 to 0.75 meter per second) required to transport the pebbles. Climate conditions at the time sediment was transported must have differed substantially from the cold, hyper-arid modern environment to permit aqueous flows across several kilometers, C1 [Williams, R. M. E.; Yingst, R. A.] Planetary Sci Inst, Tucson, AZ 85719 USA. [Grotzinger, J. P.; Stack, K. M.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Dietrich, W. E.; Palucis, M. C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Gupta, S.] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, London SW7 2AZ, England. [Sumner, D. Y.] Univ Calif Davis, Dept Geol, Davis, CA 95616 USA. [Wiens, R. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mangold, N.; Le Mouelic, S.] CNRS, LPGN, UMR6112, F-44322 Nantes, France. [Mangold, N.; Le Mouelic, S.] Univ Nantes, F-44322 Nantes, France. [Malin, M. C.; Edgett, K. S.; Van Beek, T.] Malin Space Sci Syst, San Diego, CA 92121 USA. [Maurice, S.; Forni, O.; Gasnault, O.] Univ Toulouse, CNRS, IRAP, F-31400 Toulouse, France. [Ollila, A.; Newsom, H. E.] Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. [Dromart, G.] Univ Lyon, Lab Geol Lyon, F-69364 Lyon, France. [Anderson, R. B.; Herkenhoff, K. E.] US Geol Survey, Flagstaff, AZ 86001 USA. [Goetz, W.] Max Planck Inst Sonnensyst Forsch, D-37191 Katlenburg Lindau, Germany. [Madsen, M. B.; Koefoed, A.; Jensen, J. K.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Bridges, J. C.] Univ Leicester, Dept Phys & Astron, Space Res Ctr, Leicester LE1 7RH, Leics, England. [Schwenzer, S. P.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England. [Lewis, K. W.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Rubin, D.] US Geol Survey, Santa Cruz, CA 95060 USA. [Kah, L. C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. [Bell, J. F., III; Farmer, J. D.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Sullivan, R.] Cornell Univ, Ctr Radiophys & Space Res, Ithaca, NY 14853 USA. [Blaney, D. L.; Pariser, O.; Deen, R. G.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Williams, RME (reprint author), Planetary Sci Inst, Tucson, AZ 85719 USA. EM williams@psi.edu RI szopa, cyril/C-6865-2015; Harri, Ari-Matti/C-7142-2012; Zorzano, Maria-Paz/F-2184-2015; Dworkin, Jason/C-9417-2012; Madsen, Morten/D-2082-2011; Gonzalez, Rafael/D-1748-2009; Hayes, Alexander/P-2024-2014; Gasnault, Olivier/F-4327-2010; Zorzano, Maria-Paz/C-5784-2015; Lemmon, Mark/E-9983-2010; Balic-Zunic, Tonci/A-6362-2013; Blanco, Juan Jose/E-3627-2014; Ramos, Miguel/K-2230-2014; Gomez, Felipe/L-7315-2014; Rodriguez-Manfredi, Jose/L-8001-2014 OI Schwenzer, Susanne Petra/0000-0002-9608-0759; Muller, Jan-Peter/0000-0002-5077-3736; szopa, cyril/0000-0002-0090-4056; Harri, Ari-Matti/0000-0001-8541-2802; Zorzano, Maria-Paz/0000-0002-4492-9650; Dworkin, Jason/0000-0002-3961-8997; Edgett, Kenneth/0000-0001-7197-5751; Forni, Olivier/0000-0001-6772-9689; Madsen, Morten/0000-0001-8909-5111; Hayes, Alexander/0000-0001-6397-2630; Gasnault, Olivier/0000-0002-6979-9012; Zorzano, Maria-Paz/0000-0002-4492-9650; Lemmon, Mark/0000-0002-4504-5136; Balic-Zunic, Tonci/0000-0003-1687-1233; Blanco, Juan Jose/0000-0002-8666-0696; Ramos, Miguel/0000-0003-3648-6818; Gomez, Felipe/0000-0001-9977-7060; Rodriguez-Manfredi, Jose/0000-0003-0461-9815 FU NASA under the Mars Program Office [1449884, 1273887]; Centre National d'Etudes Spatiales; UK Space Agency; Danish Council for Independent Research/Natural Sciences (FNU) [12-127126, 11-107019]; TICRA Foundation; Deutsche Forschungsgemeinschaft [GO 2288/1-1] FX We thank K. Tanaka and L. Kestay (USGS-Flagstaff) and four anonymous referees for constructive reviews of this manuscript. This research was carried out for the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA under the Mars Program Office, including JPL contracts 1449884 (R.M.E.W.) and 1273887 (Malin Space Science Systems). Work in France was carried out with funding from the Centre National d'Etudes Spatiales. Work in the UK was funded by the UK Space Agency. Work in Denmark was funded by the Danish Council for Independent Research/Natural Sciences (FNU grants 12-127126 and 11-107019) and the TICRA Foundation. Work in Germany was partly funded by Deutsche Forschungsgemeinschaft grant GO 2288/1-1. Data in this manuscript arc available from the NASA Planetary Data System. This is PSI contribution 603. NR 35 TC 118 Z9 120 U1 8 U2 114 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 31 PY 2013 VL 340 IS 6136 BP 1068 EP 1072 DI 10.1126/science.1237317 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 154HJ UT WOS:000319664500037 PM 23723230 ER PT J AU Demming, A Tonouchi, M Reno, JL AF Demming, Anna Tonouchi, Masayoshi Reno, John L. TI Terahertz nanotechnology SO NANOTECHNOLOGY LA English DT Editorial Material C1 [Demming, Anna] IOP Publishing, Bristol, Avon, England. [Tonouchi, Masayoshi] Osaka Univ, Res Ctr Superconductor Photon, Suita, Osaka 565, Japan. [Reno, John L.] Sandia Natl Labs, Dept 1123, Albuquerque, NM 87185 USA. RP Demming, A (reprint author), IOP Publishing, Bristol, Avon, England. EM tonouchi@ile.osaka-u.ac.jp; jlreno@sandia.gov RI Tonouchi, Masayoshi/I-2402-2015 OI Tonouchi, Masayoshi/0000-0002-9284-3501 NR 12 TC 0 Z9 0 U1 0 U2 41 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD MAY 31 PY 2013 VL 24 IS 21 AR 210201 DI 10.1088/0957-4484/24/21/210201 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 134OX UT WOS:000318223300001 ER PT J AU Lim, YW Schmieder, R Haynes, M Furlan, M Matthews, TD Whiteson, K Poole, SJ Hayes, CS Low, DA Maughan, H Edwards, R Conrad, D Rohwer, F AF Lim, Yan Wei Schmieder, Robert Haynes, Matthew Furlan, Mike Matthews, T. David Whiteson, Katrine Poole, Stephen J. Hayes, Christopher S. Low, David A. Maughan, Heather Edwards, Robert Conrad, Douglas Rohwer, Forest TI Mechanistic Model of Rothia mucilaginosa Adaptation toward Persistence in the CF Lung, Based on a Genome Reconstructed from Metagenomic Data SO PLOS ONE LA English DT Article ID CYSTIC-FIBROSIS LUNG; HUMAN ORAL-CAVITY; PSEUDOMONAS-AERUGINOSA; STOMATOCOCCUS-MUCILAGINOSUS; BACTERIAL DIVERSITY; ESCHERICHIA-COLI; SP-NOV; LACTATE; GENE; COMMUNITIES AB The impaired mucociliary clearance in individuals with Cystic Fibrosis (CF) enables opportunistic pathogens to colonize CF lungs. Here we show that Rothia mucilaginosa is a common CF opportunist that was present in 83% of our patient cohort, almost as prevalent as Pseudomonas aeruginosa (89%). Sequencing of lung microbial metagenomes identified unique R. mucilaginosa strains in each patient, presumably due to evolution within the lung. The de novo assembly of a near-complete R. mucilaginosa (CF1E) genome illuminated a number of potential physiological adaptations to the CF lung, including antibiotic resistance, utilization of extracellular lactate, and modification of the type I restriction-modification system. Metabolic characteristics predicted from the metagenomes suggested R. mucilaginosa have adapted to live within the microaerophilic surface of the mucus layer in CF lungs. The results also highlight the remarkable evolutionary and ecological similarities of many CF pathogens; further examination of these similarities has the potential to guide patient care and treatment. C1 [Lim, Yan Wei; Haynes, Matthew; Furlan, Mike; Matthews, T. David; Whiteson, Katrine; Rohwer, Forest] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Schmieder, Robert; Edwards, Robert] San Diego State Univ, Computat Sci Res Ctr, San Diego, CA 92182 USA. [Poole, Stephen J.; Hayes, Christopher S.; Low, David A.] Univ Calif Santa Barbara, Dept Mol Cellular & Dev Biol, Santa Barbara, CA 93106 USA. [Hayes, Christopher S.; Low, David A.] Univ Calif Santa Barbara, Biomol Sci & Engn Program, Santa Barbara, CA 93106 USA. [Maughan, Heather] Ronin Inst, Montclair, NJ USA. [Edwards, Robert] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Conrad, Douglas] Univ Calif San Diego, Dept Med, La Jolla, CA 92093 USA. RP Lim, YW (reprint author), San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. EM ylim@rohan.sdsu.edu OI Whiteson, Katrine/0000-0002-5423-6014 FU National Institutes of Health [1 R01 GM095384-01]; Cystic Foundation Research Inc. (CFRI) [09-002]; [U54 AI065359] FX This work was supported by the National Institutes of Health and Cystic Foundation Research Inc. through grants (1 R01 GM095384-01 and CFRI #09-002) awarded to Forest Rohwer and grant U54 AI065359 awarded to Christopher Hayes and David Low. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 76 TC 14 Z9 14 U1 0 U2 11 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 30 PY 2013 VL 8 IS 5 AR e64285 DI 10.1371/journal.pone.0064285 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 177SC UT WOS:000321394700041 PM 23737977 ER PT J AU Van Kuiken, BE Valiev, M Daifuku, SL Bannan, C Strader, ML Cho, HN Huse, N Schoenlein, RW Govind, N Khalil, M AF Van Kuiken, Benjamin E. Valiev, Marat Daifuku, Stephanie L. Bannan, Caitlin Strader, Matthew L. Cho, Hana Huse, Nils Schoenlein, Robert W. Govind, Niranjan Khalil, Munira TI Simulating Ru L-3-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID INTERVALENCE CHARGE-TRANSFER; VIBRATIONAL COHERENCE; EDGE SPECTRA; BASIS-SETS; TRANSITION; APPROXIMATION; EXCITATION; RUTHENIUM; ENERGY; RU(NH3)6CL3 AB Ruthenium L-3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L-3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L-3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of Ru-II and Ru-III complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L-3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L-3-edge spectra of [Ru(CN)(6)](4-) and Ru-II polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L-3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)(5)M-II-CN-Ru-III(NH3)(5)](-) (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L-3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L-3-edge XA spectroscopy. C1 [Van Kuiken, Benjamin E.; Daifuku, Stephanie L.; Bannan, Caitlin; Khalil, Munira] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Valiev, Marat; Govind, Niranjan] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. RP Khalil, M (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA. EM mkhalil@chem.washington.edu RI Schoenlein, Robert/D-1301-2014; Huse, Nils/A-5712-2017 OI Schoenlein, Robert/0000-0002-6066-7566; Huse, Nils/0000-0002-3281-7600 FU Office of Basic Energy Sciences of the U.S. Department of Energy Grant [DE-SC0002190]; David and Lucille Packard Foundation; Alfred P. Sloan Foundation; Office of Science, Office of Basic Energy Sciences, the Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy [DE-AC02-05CH11231]; Basic Science Research Program through the National Research Foundation of Korea [2009-0068446, 2010-0006570]; Ministry of Education, Science and Technology; Max Planck Society; University of Hamburg; U.S. Department of Energy's Office of Biological and Environmental Research; Department of Energy by the Battelle Memorial Institute [DE-AC06-76RLO-1830]; U.S. Department of Energy's (DOE), Office of Basic Energy Sciences, Chemical Sciences program FX This work was supported by the Office of Basic Energy Sciences of the U.S. Department of Energy Grant No. DE-SC0002190 (B.V.K, S.L.D, C.B., and M. K.). M.K. acknowledges fellowship support from the David and Lucille Packard Foundation and the Alfred P. Sloan Foundation. The work at LBNL (N.H., M.L.S., H.C., and R.W.S.) was supported by the Director, Office of Science, Office of Basic Energy Sciences, the Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy, Contract No. DE-AC02-05CH11231. H.C. acknowledges the Basic Science Research Program 2009-0068446 and 2010-0006570 through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology, and N.H. acknowledges funding from the Max Planck Society and the University of Hamburg. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the Department of Energy by the Battelle Memorial Institute under Contract DE-AC06-76RLO-1830. M.V. acknowledges support from by the U.S. Department of Energy's (DOE), Office of Basic Energy Sciences, Chemical Sciences program. NR 60 TC 22 Z9 22 U1 2 U2 48 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 30 PY 2013 VL 117 IS 21 BP 4444 EP 4454 DI 10.1021/jp401020j PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 157LF UT WOS:000319896900013 PM 23635307 ER PT J AU Wang, GM Ling, YX Lu, XH Qian, F Tong, YX Zhang, JZ Lordi, V Leao, CR Li, Y AF Wang, Gongming Ling, Yichuan Lu, Xihong Qian, Fang Tong, Yexiang Zhang, Jin Z. Lordi, Vincenzo Leao, Cedric Rocha Li, Yat TI Computational and Photoelectrochemical Study of Hydrogenated Bismuth Vanadate SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SCANNING ELECTROCHEMICAL MICROSCOPY; SOLAR WATER OXIDATION; TIO2 NANOWIRE ARRAYS; MO-DOPED BIVO4; MONOCLINIC BIVO4; VISIBLE-LIGHT; THIN-FILMS; EFFICIENT; OXIDE; CATALYST AB We demonstrate hydrogenation as a facile method to significantly enhance the performance of BiVO4 films for photoelectrochemical water oxidation. Hydrogenation was performed for BiVO4 films by annealing them in hydrogen atmosphere at elevated temperatures between 200 and 400 degrees C. Hydrogen gas can reduce BiVO4 to form oxygen vacancies as well as hydrogen impurities. DFT calculation predicted that both oxygen vacancies and hydrogen impurities are shallow donors for BiVO4 with low formation energies. These defects could increase the donor densities of BiVO4 without introducing deep trap states. Electrochemical impedance measurements showed that the donor densities of BiVO4 films were significantly enhanced upon hydrogenation. Hydrogen-treated BiVO4 (H-BiVO4) photoanodes achieved a maximum photocurrent density of 3.5 mA/cm(2) at 1.0 V vs Ag/AgCl, which is 1 order of magnitude higher than that of air-annealed BiVO4 obtained at the same potential. The enhanced photoactivities were attributed to increased donor densities of H-BiVO4, which facilitates the charge transport and collection. C1 [Wang, Gongming; Ling, Yichuan; Lu, Xihong; Zhang, Jin Z.; Li, Yat] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. [Lu, Xihong; Tong, Yexiang] Sun Yat Sen Univ, Sch Chem & Chem Engn, MOE Key Lab Bioinorgan & Synthet Chem, KLGHEI Environm & Energy Chem, Guangzhou 510275, Guangdong, Peoples R China. [Qian, Fang; Lordi, Vincenzo] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Leao, Cedric Rocha] Univ Fed ABC, Ctr Engn Modelagem & Ciencias Sociais Aplicadas C, Sao Paulo, Brazil. RP Leao, CR (reprint author), Univ Fed ABC, Ctr Engn Modelagem & Ciencias Sociais Aplicadas C, Sao Paulo, Brazil. EM cedric.rocha@ufabc.edu.br; yli@chemistry.ucsc.edu RI Wang, Gongming/C-4555-2012; Rocha Leao, Cedric/C-3022-2013; Lu, Xihong/L-5171-2015; OI Lu, Xihong/0000-0002-6764-0024; Lordi, Vincenzo/0000-0003-2415-4656; Li, Yat/0000-0002-8058-2084 FU NSF [DMR-0847786]; University of California, Santa Cruz; BES Division of the U.S. DOE [DE-FG02-ER46232]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Chancellor's Dissertation Year Fellowship at Univeristy of California, Santa Cruz; Natural Science Foundations of China [21273290]; Research Fund for the Doctoral Program of Higher Education of China [20120171110043]; Academic New Artist Ministry of Education Doctoral Post Graduate (China); China Scholarship Council FX Y.L. acknowledges the financial support of this work in part by NSF (DMR-0847786), faculty startup funds granted by the University of California, Santa Cruz. J.Z.Z. thanks the BES Division of the U.S. DOE (DE-FG02-ER46232) for financial support. 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. G.M.W. thank the financial support of Chancellor's Dissertation Year Fellowship at Univeristy of California, Santa Cruz. Y.X.T. acknowledges the financial support by the Natural Science Foundations of China (21273290) and the Research Fund for the Doctoral Program of Higher Education of China (No. 20120171110043). X.L. thanks the Academic New Artist Ministry of Education Doctoral Post Graduate (China) and China Scholarship Council for financial support. NR 64 TC 56 Z9 56 U1 12 U2 164 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 MAY 30 PY 2013 VL 117 IS 21 BP 10957 EP 10964 DI 10.1021/jp401972h PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700010 ER PT J AU Myshakin, EM Saidi, WA Romanov, VN Cygan, RT Jordan, KD AF Myshakin, Evgeniy M. Saidi, Wissam A. Romanov, Vyacheslav N. Cygan, Randall T. Jordan, Kenneth D. TI Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DENSITY-FUNCTIONAL THEORY; X-RAY-DIFFRACTION; FORCE-FIELD; CO2 SEQUESTRATION; SODIUM-IONS; PART I; WATER; DIFFUSION; BEHAVIOR; MODELS AB Molecular dynamics simulations using classical force fields were carried out to study the structural and transport properties of clay mineralwaterCO(2) systems at pressure and temperature relevant to geological carbon storage. The simulations show that the degree of swelling caused by intercalation of CO2 strongly depends on the initial water content in the interlayer space and that CO2 intercalation stimulates inner-sphere adsorption of the positively charged interlayer ions on the internal clay surfaces, which modifies the wetting properties of the surfaces. DFT-based molecular dynamics simulations were used to interpret the origin of the observed shift in the asymmetric stretch vibration of CO2 trapped in montmorillonite. The origin of the shift is attributed to the electric field effects on the CO2 molecules induced by the water molecules. C1 [Myshakin, Evgeniy M.; Romanov, Vyacheslav N.; Jordan, Kenneth D.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Myshakin, Evgeniy M.] URS Corp, South Pk, PA 15129 USA. [Saidi, Wissam A.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Cygan, Randall T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Jordan, Kenneth D.] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. RP Myshakin, EM (reprint author), Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM Evgeniy.Myshakin@netl.doe.gov RI Romanov, Vyacheslav/C-6467-2008 OI Romanov, Vyacheslav/0000-0002-8850-3539 FU National Energy Technology Laboratory's ongoing research in Subtask 4000.4.641.061.001.255 under the RES [DE-FE0004000]; Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC-0001114]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in Subtask 4000.4.641.061.001.255 under the RES contract DE-FE0004000. Additional funding was provided by the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC-0001114. 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 73 TC 22 Z9 22 U1 5 U2 93 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 MAY 30 PY 2013 VL 117 IS 21 BP 11028 EP 11039 DI 10.1021/jp312589s PG 12 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700018 ER PT J AU Lee, JRI Han, TYJ Willey, TM Nielsen, MH Klivansky, LM Liu, Y Chung, S Terminello, LJ van Buuren, T De Yoreo, JJ AF Lee, Jonathan R. I. Han, T. Yong-Jin Willey, Trevor M. Nielsen, Michael H. Klivansky, Liana M. Liu, Yi Chung, Sungwook Terminello, Louis J. van Buuren, Tony De Yoreo, James J. TI Cooperative Reorganization of Mineral and Template during Directed Nucleation of Calcium Carbonate SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; LANGMUIR MONOLAYERS; BIOMIMETIC NUCLEATION; CACO3 MINERALIZATION; CRYSTAL NUCLEATION; ORGANIC INTERFACES; CRYSTALLIZATION; GROWTH; GOLD; AU(111) AB Self-assembled monolayers (SAMs) prepared from organic thiol molecules on metal substrates are known to exert substantial influence over mineralization and, as such, provide model systems for investigating the mechanisms of templated crystallization by organic matrices. Characterizing the structural evolution at the organic/inorganic interface in SAM/crystal systems is of paramount importance in understanding these mechanisms. In this study, X-ray absorption spectroscopy is used to characterize the structural evolution of SAMs prepared from purpose-synthesized organic thiols, with similar yet subtly different structures and compositions, during the course of mineralization at their surfaces. The studies reveal that the structure of the thiol molecules strongly affects their ability to reorient within the SAM. Complementary scanning electron microscopy measurements demonstrate that this feature of the SAMs is strongly correlated with the capability of the monolayers to induce preferential ordering among the organic crystals. Consistent with recent modeling studies of SAM/crystal systems, these findings provide experimental evidence that structural flexibility within the SAMs is crucial for achieving templated crystallization and that templating is inherently a cooperative process that selects the most favorable combination of SAM and crystal orientations. C1 [Lee, Jonathan R. I.; Han, T. Yong-Jin; Willey, Trevor M.; van Buuren, Tony] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Nielsen, Michael H.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Klivansky, Liana M.; Liu, Yi; De Yoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Chung, Sungwook] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Terminello, Louis J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lee, JRI (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM lee204@llnl.gov; james.deyoreo@pnnl.gov RI Liu, yi/A-3384-2008; Nielsen, Michael/D-1881-2015; Foundry, Molecular/G-9968-2014; Willey, Trevor/A-8778-2011 OI Liu, yi/0000-0002-3954-6102; Willey, Trevor/0000-0002-9667-8830 FU Division of Chemical; U.S. DoE by LLNL [DE-AC52-07NA27344]; Office of Science, Office of Basic Energy Sciences, U.S. DoE [DE-AC02-05 CH11231]; Division of Biological and Geochemical Sciences; Division of Materials Science FX This work was supported by the Divisions of Chemical, Biological and Geochemical Sciences and Materials Science and work conducted at LLNL was performed under the auspices of the U.S. DoE by LLNL under Contract DE-AC52-07NA27344. Portions of this research were carried out at the SSRL, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. The authors thank the SSRL staff, particularly Dan Brehmer and Curtis Troxel, for their assistance during the course of these experiments. The synthesis of the MDBA molecules was performed as a User Project at the Molecular Foundry, LBNL, which was supported by the Office of Science, Office of Basic Energy Sciences, U.S. DoE, under Contract DE-AC02-05 CH11231. NR 46 TC 10 Z9 10 U1 2 U2 53 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 MAY 30 PY 2013 VL 117 IS 21 BP 11076 EP 11085 DI 10.1021/jp400279f PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700023 ER PT J AU Tsimpanogiannis, IN Lichtner, PC AF Tsimpanogiannis, Ioannis N. Lichtner, Peter C. TI Gas Saturation Resulting from Methane Hydrate Dissociation in a Porous Medium: Comparison between Analytical and Pore-Network Results SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID EASTERN NANKAI TROUGH; CLATHRATE HYDRATE; SIZE DISTRIBUTIONS; TOMOGRAPHIC-IMAGES; OCEANIC SEDIMENTS; MARINE-SEDIMENTS; HYDROGEN STORAGE; MACKENZIE DELTA; MALLIK SITE; SIMULATION AB We develop predictive tools for methane gas saturation that results from hydrate dissociation in porous media at different length scales, ranging from the single-pore scale up to the pore-network scale. Initially, we examine the case of a single spherical hydrate grain dissociating inside a bulk continuum (i.e., without the constraints from the solid surfaces that are present inside a porous medium). The growth of the resulting gas bubble is limited only by the liquid pressure of the domain, the capillary pressure of the growing bubble, and the gas solubility in the liquid phase. This case corresponds to an upper limit for the gas saturation. Next, we consider the case of a hydrate grain located inside a single pore body as well as the case of multiple hydrate grains that are distributed randomly inside the pore network. To this purpose we consider a simple porous domain that is represented by a pore network with all pores/throats being of the same size. When the hydrate phase is confined inside a porous domain, the growth of the resulting gas bubble is controlled, mostly, by the capillary thresholds of the interconnections (i.e., the pore throats) between the different pore bodies. For all cases we develop analytical solutions for the ratio of the gas to the hydrate saturation, S-g/S-H, and compare the solutions with results obtained from pore network simulations [Phys. Rev. E 2006, 74, 056303] where the pore bodies/throats follow appropriate size distributions. Very good agreement is observed between the different approaches considered in this study. C1 [Tsimpanogiannis, Ioannis N.] Demokritos Natl Ctr Sci Res, Environm Res Lab, GR-15310 Athens, Greece. [Lichtner, Peter C.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Tsimpanogiannis, IN (reprint author), Demokritos Natl Ctr Sci Res, Environm Res Lab, GR-15310 Athens, Greece. EM tsimpano@usc.edu FU European Commission DG Research [SES6-2006-518271/NESSHY]; European Commission EC Grant PERL [REGPOT-2008-1-229773] FX Partial funding by the European Commission DG Research (Contract SES6-2006-518271/NESSHY) and by the European Commission EC Grant PERL (Contract REGPOT-2008-1-229773) is gratefully acknowledged by the first author (I.N.T.). Useful discussions with Dr. Ran Holtzman are gratefully acknowledged. NR 91 TC 0 Z9 0 U1 1 U2 37 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 MAY 30 PY 2013 VL 117 IS 21 BP 11104 EP 11116 DI 10.1021/jp400449g PG 13 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700026 ER PT J AU Lei, Y Lu, JL Zhao, HY Liu, B Low, KB Wu, TP Libera, JA Greeley, JP Chupas, PJ Miller, JT Elam, JW AF Lei, Yu Lu, Junling Zhao, Haiyan Liu, Bin Low, Ke-Bin Wu, Tianpin Libera, Joseph A. Greeley, Jeffrey P. Chupas, Peter J. Miller, Jeffrey T. Elam, Jeffrey W. TI Resolving Precursor Deligation, Surface Species Evolution, and Nanoparticle Nucleation during Palladium Atomic Layer Deposition SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID THIN-FILM GROWTH; CO OXIDATION; ABSORPTION SPECTROSCOPY; SUPPORTED GOLD; PD K; CATALYSTS; CLUSTERS; SIZE; HYDROGENATION; PARTICLES AB The synthesis of highly dispersed palladium nanoparticles on TiO2 surfaces from palladium hexafluoroacetylacetonate (Pd(hfac)(2)) was investigated using in situ infrared (IR) spectroscopy, in situ X-ray absorption spectroscopy (XAS), and in situ pair distribution function (PDF) measurements under practical atomic layer deposition conditions. Residual surface chlorine was found to directly participate in the transformation of organometallic compounds to nanoparticles. Deligation of the Pd(hfac)(2), evolution of the surface species, and nucleation of the Pd nanoparticles were precisely resolved. This knowledge can help direct the future design of advanced heterogeneous catalysts from organometallic compounds. C1 [Lei, Yu; Lu, Junling; Libera, Joseph A.; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA. [Zhao, Haiyan; Wu, Tianpin; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA. [Liu, Bin] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA. [Low, Ke-Bin] Univ Illinois, Res Resources Ctr, Chicago, IL 60607 USA. [Greeley, Jeffrey P.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Elam, JW (reprint author), Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA. EM jelam@anl.gov RI BM, MRCAT/G-7576-2011; ID, MRCAT/G-7586-2011; Lu, Junling/F-3791-2010; OI Lu, Junling/0000-0002-7371-8414; Lei, Yu/0000-0002-4161-5568 FU Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT FX This material is based upon work supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. We gratefully acknowledge the computing resources provided on "Fusion", a 320-node computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 65 TC 17 Z9 17 U1 5 U2 75 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 MAY 30 PY 2013 VL 117 IS 21 BP 11141 EP 11148 DI 10.1021/jp401196f PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700030 ER PT J AU Kundu, S Vidal, AB Nadeem, MA Senanayake, SD Idriss, H Liu, P Rodriguez, JA Stacchiola, D AF Kundu, S. Vidal, A. B. Nadeem, M. A. Senanayake, S. D. Idriss, H. Liu, P. Rodriguez, J. A. Stacchiola, D. TI Ethanol Photoreaction on RuOx/Ru-Modified TiO2(110) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TOTAL-ENERGY CALCULATIONS; SINGLE-CRYSTAL SURFACE; WAVE BASIS-SET; HYDROGEN-PRODUCTION; ALIPHATIC-ALCOHOLS; RUTILE TIO2; ACETIC-ACID; PHOTOCATALYTIC PERFORMANCE; METAL OXIDES; ADSORPTION AB During the photochemical reaction of organic molecules on oxide surfaces, radicals are formed and participate in heterogeneous photocatalytic processes. however, understanding the mechanistic origins and the fate of such species under reaction conditions is difficult. In this work we carry out a combined experimental and theoretical study on the thermal and photochemical interaction of ethanol with RuOx/TiO2(110) surfaces. Ethanol dissociatively adsorbs on both TiO2 and RuOx/TiO2 surfaces forming ethoxide. Our DFT calculations indicate that, e: et oxide formation is more exothermic on RuOx/TiO2 (110) surfaces (Delta E= -1.61 eV) than on the clean rutile TiO2(110) surface (Delta E= -0.95 eV). Defect sites present on RuOx/TiO2 surfaces can dissociate Part of the ethoxide to acetaldehyde even below 300 K, which can be further oxidized to acetate resulting in the reduction of the RuOx nanoparticles. Exposure to UV irradiation of the ethoxide covered surfaces in the presence of Oxygen at 300 K resulted in considerable decrease in ethoxide species by conversion to acetate. It is found that the Ru/TiO2 system is more active for the photo-oxidation of ethanol to acetaldehyde than TiO2. A linear trend of the rate of acetaldehyde and carbon dioxide production from exposure to ethanol of Ru/TiO2 surfaces in the presence of O-2 indicates that more surface sites are available for the adsorption of O-2 than on bare TiO2 surfaces, possibly at the interface or the Ru metal nanoparticles and TiO2 surfaces, which facilitates the photo-oxidation. C1 [Kundu, S.; Vidal, A. B.; Senanayake, S. D.; Liu, P.; Rodriguez, J. A.; Stacchiola, D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Vidal, A. B.] IVIC, Ctr Quim, Caracas 1020A, Venezuela. [Nadeem, M. A.; Idriss, H.] Univ Aberdeen, Dept Chem, Aberdeen AB9 1FR, Scotland. [Nadeem, M. A.; Idriss, H.] Robert Gordon Univ, Sch Engn, Aberdeen AB9 1FR, Scotland. RP Stacchiola, D (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM djs@bnl.gov RI Stacchiola, Dario/B-1918-2009; Kundu, Shankhamala/C-4875-2012; Senanayake, Sanjaya/D-4769-2009 OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake, Sanjaya/0000-0003-3991-4232 FU U.S. Department of Energy, Office of Science [DE-AC02-98CH10886]; Division of Chemical Sciences, Geosciences, and Biosciences within the Office of Basic Energy Sciences; Center for Functional Nanomaterials at Brookhaven National Laboratory and National Energy Research Scientific Computing (NERSC) Center [DE-AC02-05CH11231] FX The research carried out at Brookhaven National Laboratory was done under contract no. DE-AC02-98CH10886 with the U.S. Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences, and Biosciences within the Office of Basic Energy Sciences. The DFT calculations were carried out using the computing facilities at the Center for Functional Nanomaterials at Brookhaven National Laboratory and National Energy Research Scientific Computing (NERSC) Center under contract no. DE-AC02-05CH11231. NR 41 TC 14 Z9 14 U1 2 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 MAY 30 PY 2013 VL 117 IS 21 BP 11149 EP 11158 DI 10.1021/jp4015367 PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700031 ER PT J AU Deng, XY Yao, K Sun, KJ Li, WX Lee, J Matranga, C AF Deng, Xingyi Yao, Kun Sun, Keju Li, Wei-Xue Lee, Junseok Matranga, Christopher TI Growth of Single- and Bilayer ZnO on Au(111) and Interaction with Copper SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID AUGMENTED-WAVE METHOD; THIN-FILMS; MOO3 NANOSTRUCTURES; METHANOL SYNTHESIS; CU/ZNO CATALYSTS; WATER; NANOPARTICLES; REACTIVITY; THICKNESS; SURFACES AB The stoichiometric single- and bilayer ZnO(0001) have been prepared by reactive deposition of Zn on Au(111) and studied in detail with X-ray photoelectron spectroscopy, scanning tunneling microscopy, and density functional theory calculations. Both single- and bilayer ZnO(0001) adopt a planar, graphite-like structure similar to freestanding ZnO(0001) due to the weak van der Waals interactions dominating their adhesion with the Au(111) substrate. At higher temperature, the single-layer ZnO(0001) converts gradually to bilayer ZnO(0001) due to the twice stronger interaction between two ZnO layers than the interfacial adhesion of ZnO with Au substrate. It is found that Cu atoms on the surface of bilayer ZnO(0001) are mobile with a diffusion barrier of 0.31 eV and likely to agglomerate and form nanosized particles at low coverages; while Cu atoms tend to penetrate a single layer of ZnO(0001) with a barrier of 0.10 eV, resulting in a Cu free surface. C1 [Deng, Xingyi; Lee, Junseok; Matranga, Christopher] US DOE, NETL, Pittsburgh, PA 15236 USA. [Yao, Kun; Sun, Keju; Li, Wei-Xue] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. [Deng, Xingyi; Lee, Junseok] URS, South Pk, PA 15129 USA. RP Deng, XY (reprint author), US DOE, NETL, POB 10940, Pittsburgh, PA 15236 USA. EM xingyi.deng@netl.doe.gov; wxli@dicp.ac.cn RI Sun, Keju/F-2593-2013; Matranga, Christopher/E-4741-2015; OI Sun, Keju/0000-0001-8791-4646; Matranga, Christopher/0000-0001-7082-5938; Deng, Xingyi/0000-0001-9109-1443 FU National Energy Technology Laboratory's ongoing research under the RES contract [DE-FE0004000]; National Natural Science Foundation of China [21173210, 21103165, 21225315]; 973 Project [2013CB834603] FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research under the RES contract DE-FE0004000, the National Natural Science Foundation of China (21173210, 21103165, and 21225315), and 973 Project (2013CB834603). NR 45 TC 27 Z9 27 U1 5 U2 60 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 MAY 30 PY 2013 VL 117 IS 21 BP 11211 EP 11218 DI 10.1021/jp402008w PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 157LD UT WOS:000319896700038 ER PT J AU Elliott, JB Lake, PT Moretto, LG Phair, L AF Elliott, J. B. Lake, P. T. Moretto, L. G. Phair, L. TI Determination of the coexistence curve, critical temperature, density, and pressure of bulk nuclear matter from fragment emission data SO PHYSICAL REVIEW C LA English DT Article ID GAS PHASE-TRANSITION; SMALL PERCOLATION LATTICES; FISHERS DROPLET MODEL; HEAVY-ION COLLISIONS; CRITICAL-POINT; ISING-MODEL; CLUSTER DISTRIBUTIONS; CRITICAL EXPONENTS; CRITICAL EVOLUTION; CRITICAL-BEHAVIOR AB An analysis of six different sets of experimental data indicates that infinite, neutron-proton symmetric, neutral nuclear matter has a critical temperature of T-c = 17.9 +/- 0.4 MeV, a critical density of rho(c) = 0.06 +/- 0.01 nucleons/fm(3), and a critical pressure of p(c) = 0.31 +/- 0.07 MeV/fm(3). These values have been obtained by analyzing data from six different reactions studied in three experiments: two "compound nuclear" reactions, Ni-58+C-12 -> Se-70 and Ni-64+C-12 -> Se-76 (both performed at the LBNL 88-in. cyclotron); and four "multifragmentation" reactions, 1 GeV/c pi+Au-197 (performed by the Indiana Silicon Sphere Collaboration), 1 GeV/nucleon Au-197+C-12, 1 GeV/nucleon La-139+C-12, and 1 GeV/nucleon Kr-84+C-12 (all performed by the Equation of State Collaboration). The charge yields of all reactions as a function of the excitation energy were fit with a version of Fisher's droplet model modified to account for the dual components of the fluid (i.e., protons and neutrons), Coulomb effects, finite-size effects, and angular momentum arising from the nuclear collisions. C1 [Elliott, J. B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Lake, P. T.; Moretto, L. G.; Phair, L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Elliott, JB (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM elliott38@llnl.gov FU Office of Energy Research, Office of High Energy and Nuclear Physics, Division of Nuclear Physics, of the U.S. Department of Energy [DE-AC02-05CH11231, LLNL-JRNL-539511]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed by Lawrence Berkeley National Laboratory and was supported by the Director, Office of Energy Research, Office of High Energy and Nuclear Physics, Division of Nuclear Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. LLNL-JRNL-539511. This work was also performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The authors would like to thank the members of the EOS and ISiS Collaborations for access to their excellent experimental data sets. NR 94 TC 17 Z9 17 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 30 PY 2013 VL 87 IS 5 AR 054622 DI 10.1103/PhysRevC.87.054622 PG 21 WC Physics, Nuclear SC Physics GA 155ES UT WOS:000319730300004 ER PT J AU McGlinchey, D Frawley, AD Vogt, R AF McGlinchey, D. Frawley, A. D. Vogt, R. TI Impact-parameter dependence of the nuclear modification of J/psi production in d plus Au collisions at root(NN)-N-S=200 GeV SO PHYSICAL REVIEW C LA English DT Article ID J-PSI SUPPRESSION; P-A; HADRON-NUCLEUS; ENERGY-LOSS; DISTRIBUTIONS; ABSORPTION AB The centrality dependence of root(NN)-N-S = 200 GeV d + Au J/psi data, measured in 12 rapidity bins that span -2.2 < y < 2.4, has been fitted using a model containing an effective absorption cross section combined with EPS09 NLO shadowing. The centrality dependence of the shadowing contribution was allowed to vary nonlinearly, employing a variety of assumptions, in an effort to explore the limits of what can be determined from the data. The impact parameter dependencies of the effective absorption cross section and the shadowing parametrization are sufficiently distinct to be determined separately. It is found that the onset of shadowing is a highly nonlinear function of impact parameter. The mid and backward rapidity absorption cross sections are compared with lower energy data and, for times of 0.05 fm/c or greater, data over a broad range of collision energies and rapidities are well described by a model in which the absorption cross section depends only on time spent in the nucleus. C1 [McGlinchey, D.; Frawley, A. D.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Vogt, R.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. [Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP McGlinchey, D (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. EM Darren.McGlinchey@colorado.edu; afrawley@fsu.edu FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; JET Collaboration; National Science Foundation Grant [PHY-10-64819] FX The work of R.V. was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and supported in part by the JET Collaboration. The work of A.D.F. and D.C.M. was supported in part by the National Science Foundation Grant No. PHY-10-64819. NR 35 TC 27 Z9 27 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 30 PY 2013 VL 87 IS 5 AR 054910 DI 10.1103/PhysRevC.87.054910 PG 10 WC Physics, Nuclear SC Physics GA 155ES UT WOS:000319730300006 ER PT J AU Oganessian, YT Abdullin, FS Alexander, C Binder, J Boll, RA Dmitriev, SN Ezold, J Felker, K Gostic, JM Grzywacz, RK Hamilton, JH Henderson, RA Itkis, MG Miernik, K Miller, D Moody, KJ Polyakov, AN Ramayya, AV Roberto, JB Ryabinin, MA Rykaczewski, KP Sagaidak, RN Shaughnessy, DA Shirokovsky, IV Shumeiko, MV Stoyer, MA Stoyer, NJ Subbotin, VG Sukhov, AM Tsyganov, YS Utyonkov, VK Voinov, AA Vostokin, GK AF Oganessian, Yu. Ts. Abdullin, F. Sh. Alexander, C. Binder, J. Boll, R. A. Dmitriev, S. N. Ezold, J. Felker, K. Gostic, J. M. Grzywacz, R. K. Hamilton, J. H. Henderson, R. A. Itkis, M. G. Miernik, K. Miller, D. Moody, K. J. Polyakov, A. N. Ramayya, A. V. Roberto, J. B. Ryabinin, M. A. Rykaczewski, K. P. Sagaidak, R. N. Shaughnessy, D. A. Shirokovsky, I. V. Shumeiko, M. V. Stoyer, M. A. Stoyer, N. J. Subbotin, V. G. Sukhov, A. M. Tsyganov, Yu. S. Utyonkov, V. K. Voinov, A. A. Vostokin, G. K. TI Experimental studies of the Bk-249+Ca-48 reaction including decay properties and excitation function for isotopes of element 117, and discovery of the new isotope (277)Mt SO PHYSICAL REVIEW C LA English DT Article ID CHEMICAL-IDENTIFICATION; NUCLEAR PROPERTIES; SUPERHEAVY NUCLEI; HEAVIEST NUCLEI; DUBNIUM; TABLES AB Studies of superheavy nuclei produced in the Bk-249 + Ca-48 reaction were performed using the Dubna Gas Filled Recoil Separator. The cross section for the production of (293)117 and (294)117 isotopes was measured at five excitation energies of the (297)117 compound nucleus ranging from 30 to 48 MeV and yielding maximum values of 1.1(-0.6)(+1.2) pb for the 3n and 2.4(-1.4)(+3.3) pb for the 4n reaction channels. Alpha emission from (281)Rg competing with spontaneous fission (alpha/SF decay probability 1:9) was observed for the first time leading to the identification of the new isotope (277)Mt (T-SF approximate to 5 ms). The measured decay properties are in good agreement with those expected based on the properties of neighboring even-Z and odd-Z nuclei. The alpha energies and half-lives of odd-Z isotopes observed in the (293)117 and (294)117 decay chains together with results obtained for lower-Z superheavy nuclei demonstrate enhanced stability with increasing neutron number toward the predicted new magic number N = 184. C1 [Oganessian, Yu. Ts.; Abdullin, F. Sh.; Dmitriev, S. N.; Itkis, M. G.; Polyakov, A. N.; Sagaidak, R. N.; Shirokovsky, I. V.; Shumeiko, M. V.; Subbotin, V. G.; Sukhov, A. M.; Tsyganov, Yu. S.; Utyonkov, V. K.; Voinov, A. A.; Vostokin, G. K.] Joint Inst Nucl Res, RU-141980 Dubna, Russia. [Alexander, C.; Binder, J.; Boll, R. A.; Ezold, J.; Felker, K.; Grzywacz, R. K.; Miernik, K.; Roberto, J. B.; Rykaczewski, K. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Gostic, J. M.; Henderson, R. A.; Moody, K. J.; Shaughnessy, D. A.; Stoyer, M. A.; Stoyer, N. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Grzywacz, R. K.; Miller, D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Hamilton, J. H.; Ramayya, A. V.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Ryabinin, M. A.] Res Inst Atom Reactors, RU-433510 Dimitrovgrad, Russia. RP Oganessian, YT (reprint author), Joint Inst Nucl Res, RU-141980 Dubna, Russia. EM oganessian@jinr.ru RI Miller, David/B-5372-2012; Boll, Rose/C-4138-2016; OI Miller, David/0000-0002-0426-974X; Boll, Rose/0000-0003-2507-4834; Roberto, James/0000-0002-4234-0252; Ezold, Julie/0000-0002-5055-0022 FU Russian Foundation for Basic Research [11-02-12050, 13-02-12052, 13-03-12205]; U.S. DOE Office of Nuclear Physics under DOE [DE-AC05-00OR22725]; UT-Battelle, LLC; LDRD Program under DOE [08-ERD-030, DE-AC52-07NA27344]; Lawrence Livermore National Security, LLC; U.S. DOE [DE-FG-05-88ER40407] FX We are grateful to the JINR Directorate and U400 cyclotron and ion-source crews for their continuous support of the experiment. We acknowledge the support of the Russian Foundation for Basic Research Grants No. 11-02-12050, No. 13-02-12052, and No. 13-03-12205. Research at ORNL was supported by the U.S. DOE Office of Nuclear Physics under DOE Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. Research at LLNL was supported by LDRD Program Project No. 08-ERD-030, under DOE Contract No. DE-AC52-07NA27344 with Lawrence Livermore National Security, LLC. This work was also supported by the U.S. DOE through Grant No. DE-FG-05-88ER40407 (Vanderbilt University). These studies were performed in the framework of the Russian Federation/U.S. Joint Coordinating Committee for Research on Fundamental Properties of Matter. NR 39 TC 56 Z9 56 U1 3 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 30 PY 2013 VL 87 IS 5 AR UNSP 054621 DI 10.1103/PhysRevC.87.054621 PG 10 WC Physics, Nuclear SC Physics GA 155ES UT WOS:000319730300003 ER PT J AU Liu, Y Wang, HH Bian, G Zhang, Z Lee, SS Fenter, PA Tischler, JZ Hong, H Chiang, TC AF Liu, Y. Wang, H. -H. Bian, G. Zhang, Z. Lee, S. S. Fenter, P. A. Tischler, J. Z. Hong, H. Chiang, T. -C. TI Interfacial Bonding and Structure of Bi2Te3 Topological Insulator Films on Si(111) Determined by Surface X-Ray Scattering SO PHYSICAL REVIEW LETTERS LA English DT Article ID NANORIBBONS; BI2SE3; GROWTH; STATES; LIMIT; SI AB Interfacial topological states are a key element of interest for topological insulator thin films, and their properties can depend sensitively on the atomic bonding configuration. We employ in situ nonresonant and resonant surface x-ray scattering to study the interfacial and internal structure of a prototypical topological film system: Bi2Te3 grown on Si(111). The results reveal a Te-dominated buffer layer, a large interfacial spacing, and a slightly relaxed and partially strained bottom quintuple layer of an otherwise properly stacked bulklike Bi2Te3 film. The presence of the buffer layer indicates a nontrivial process of interface formation and a mechanism for electronic decoupling between the topological film and the Si(111) substrate. C1 [Liu, Y.; Zhang, Z.; Tischler, J. Z.; Hong, H.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wang, H. -H.; Bian, G.; Chiang, T. -C.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Wang, H. -H.; Bian, G.; Chiang, T. -C.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Wang, H. -H.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Lee, S. S.; Fenter, P. A.] Argonne Natl Lab, Div Chem Sci, Argonne, IL 60439 USA. RP Liu, Y (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yangliu3@aps.anl.gov; tcchiang@illinois.edu RI Liu, Yang/I-2806-2012; Bian, Guang/C-5182-2016; Zhang, Zhan/A-9830-2008; OI Liu, Yang/0000-0001-6506-5903; Bian, Guang/0000-0001-7055-2319; Zhang, Zhan/0000-0002-7618-6134; Fenter, Paul/0000-0002-6672-9748 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-FG02-07ER46383, DE-AC02-06CH11357]; DOE/BES Geochemistry Research Program FX This work is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Grant No. DE-FG02-07ER46383 (T.-C. C.), and Contract No. DE-AC02-06CH11357 (for operation of the Advanced Photon Source, and for P. F. and S. S. L. who are funded by the DOE/BES Geochemistry Research Program). We thank Dr. Christian Schlepuetz, Dr. June Hyuk Lee, and Dr. Ruqing Xu for assistance with experimental setup and Dr. Xiaoxiong Wang for sharing insights based on first-principles calculations. NR 31 TC 4 Z9 4 U1 4 U2 69 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 30 PY 2013 VL 110 IS 22 AR 226103 DI 10.1103/PhysRevLett.110.226103 PG 5 WC Physics, Multidisciplinary SC Physics GA 155HK UT WOS:000319738400008 PM 23767736 ER PT J AU Fan, RH Zhu, LH Peng, RW Huang, XR Qi, DX Ren, XP Hu, Q Wang, M AF Fan, Ren-Hao Zhu, Li-Hao Peng, Ru-Wen Huang, Xian-Rong Qi, Dong-Xiang Ren, Xiao-Ping Hu, Qing Wang, Mu TI Broadband antireflection and light-trapping enhancement of plasmonic solar cells SO PHYSICAL REVIEW B LA English DT Article ID EXTRAORDINARY OPTICAL-TRANSMISSION; EFFICIENCY ENHANCEMENT; SUBWAVELENGTH OPTICS; METALLIC GRATINGS; ABSORPTION; ARRAYS; TECHNOLOGY; SURFACES; DESIGN AB In this work, we demonstrate broadband extraordinary transmission and antireflection in two-dimensional periodic metallic cuboids at optical frequencies. These phenomena originate from nonresonant excitations of surface plasmons, and represent high antireflection simultaneously for a broad spectral band and a wide angular range of incidence with polarization insensitivity. Based on this principle, we further introduce such metallic cuboids arrays into silicon solar cells. It is shown that high performance of light trapping in the cells can be achieved with a significant enhancement of the ultimate quantum efficiency. This study shows promising applications of plasmonic nanostructures to high-efficiency photovoltaic devices. C1 [Fan, Ren-Hao; Zhu, Li-Hao; Peng, Ru-Wen; Qi, Dong-Xiang; Ren, Xiao-Ping; Hu, Qing; Wang, Mu] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Fan, Ren-Hao; Zhu, Li-Hao; Peng, Ru-Wen; Qi, Dong-Xiang; Ren, Xiao-Ping; Hu, Qing; Wang, Mu] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China. [Huang, Xian-Rong] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Peng, RW (reprint author), Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. EM rwpeng@nju.edu.cn; xiahuang@aps.anl.gov; muwang@nju.edu.cn FU Ministry of Science and Technology of China [2012CB921502, 2010CB630705]; National Science Foundation of China [11034005, 61077023, 50972057, 11021403]; Ministry of Education of China [20100091110029]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the Ministry of Science and Technology of China (Grants No. 2012CB921502 and No. 2010CB630705), the National Science Foundation of China (Grants No. 11034005, No. 61077023, No. 50972057, and No. 11021403), and partly by the Ministry of Education of China (Grant No. 20100091110029). X.R.H. was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 42 TC 22 Z9 22 U1 1 U2 64 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2013 VL 87 IS 19 AR 195444 DI 10.1103/PhysRevB.87.195444 PG 7 WC Physics, Condensed Matter SC Physics GA 155EP UT WOS:000319729900005 ER PT J AU Lee, YS Moon, SJ Riggs, SC Shapiro, MC Fisher, IR Fulfer, BW Chan, JY Kemper, AF Basov, DN AF Lee, Y. S. Moon, S. J. Riggs, Scott C. Shapiro, M. C. Fisher, I. R. Fulfer, Bradford W. Chan, Julia Y. Kemper, A. F. Basov, D. N. TI Infrared study of the electronic structure of the metallic pyrochlore iridate Bi2Ir2O7 SO PHYSICAL REVIEW B LA English DT Article ID T-C; DIFFRACTION; NONMETAL; NEUTRON AB We investigated the electronic properties of a single crystal of metallic pyrochlore iridate Bi2Ir2O7 by means of infrared spectroscopy. Our optical conductivity data show the splitting of t(2g) bands into J(eff) ones due to strong spin-orbit coupling. We observed a sizable midinfrared absorption near 0.2 eV which can be attributed to the optical transition within the J(eff, 1/2) bands. More interestingly, we found an abrupt suppression of optical conductivity in the very far-infrared region. Our results suggest that the electronic structure of Bi2Ir2O7 is governed by the strong spin-orbit coupling and correlation effects, which are a prerequisite for theoretically proposed nontrivial topological phases in pyrochlore iridates. C1 [Lee, Y. S.; Moon, S. J.; Basov, D. N.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Lee, Y. S.] Soongsil Univ, Dept Phys, Seoul 156743, South Korea. [Moon, S. J.] Hanyang Univ, Dept Phys, Seoul 133791, South Korea. [Riggs, Scott C.; Shapiro, M. C.; Fisher, I. R.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Riggs, Scott C.; Shapiro, M. C.; Fisher, I. R.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Riggs, Scott C.; Shapiro, M. C.; Fisher, I. R.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Fulfer, Bradford W.; Chan, Julia Y.] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. [Kemper, A. F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Comp Sci, Berkeley, CA 94720 USA. RP Lee, YS (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RI Kemper, Alexander/F-8243-2016; Chan, Julia/C-5392-2008 OI Kemper, Alexander/0000-0002-5426-5181; Chan, Julia/0000-0003-4434-2160 FU Department of Energy, Basic Energy Sciences (DOE-BES); Soongsil University Research Fund; National Research Foundation of Korea (NRF); Korea Government (MEST) [2103R1A1A212281]; DOE [DE-AC02-76SF00515]; NSF-DMR [1063735]; US DOE-BES, Materials Sciences and Engineering Division [DE-AC02-76SF00515]; National Research Foundation of Korea; Ministry of Education, Science, and Technology [2012R1A1A1013274] FX Work performed at UCSD was supported by the Department of Energy, Basic Energy Sciences (DOE-BES). Y.S.L. was supported by the Soongsil University Research Fund, and by a National Research Foundation of Korea (NRF) grant funded by the Korea Government (MEST) (2103R1A1A212281). Work performed at Stanford University was supported by the DOE under Contract No. DE-AC02-76SF00515. J.Y.C. acknowledges NSF-DMR Grant No. 1063735 for partial support. A.F.K. was supported by the US DOE-BES, Materials Sciences and Engineering Division, under Contract No. DE-AC02-76SF00515. S.J.M. was supported by a Basic Science Research Program through the National Research Foundation of Korea, funded by the Ministry of Education, Science, and Technology (2012R1A1A1013274). NR 50 TC 9 Z9 9 U1 6 U2 75 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2013 VL 87 IS 19 AR 195143 DI 10.1103/PhysRevB.87.195143 PG 7 WC Physics, Condensed Matter SC Physics GA 155EP UT WOS:000319729900003 ER PT J AU Peng, HW Lany, S AF Peng, Haowei Lany, Stephan TI Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation SO PHYSICAL REVIEW B LA English DT Article ID INITIO MOLECULAR-DYNAMICS; AUGMENTED-WAVE METHOD; MGXZN1-XO THIN-FILMS; SOLID-SOLUTION; VISIBLE-LIGHT; TRANSITION; OXIDE; PHOTOCATALYST; CONSTANTS; ALLOYS AB Accurate relative energetic stabilities between the tetrahedrally coordinated (zinc-blende or wurtzite) and octahedrally coordinated (rock-salt) phases of MgO, ZnO, GaN, and MnO are obtained by first-principles calculations within the framework of adiabatic connection fluctuation-dissipation theorem (ACFDT) and with the random phase approximation (RPA) to the correlation energy. The RPA-ACFDT correctly recovers the rock-salt structure of MnO as the ground-state phase, as observed experimentally, whereas previous density and hybrid functional methods obtained the wrong energy ordering. Even though standard density functionals give the correct ordering of the non-transition-metal compounds, significant quantitative changes occur also for MgO and ZnO. We conclude that the RPA can serve as an important benchmark for structural preferences in polymorphic materials. The present study suggests that density functional predictions for open d-shell materials such as transition metal compounds might be more prone to erroneous structure prediction than commonly expected. C1 [Peng, Haowei; Lany, Stephan] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Peng, HW (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Haowei.Peng@NREL.gov; Stephan.Lany@NREL.gov RI Peng, Haowei/K-4654-2012; OI Peng, Haowei/0000-0002-6502-8288; Lany, Stephan/0000-0002-8127-8885 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences, Energy Frontier Research Centers [DE-AC36-08GO28308] FX This work is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Energy Frontier Research Centers, under Contract No. DE-AC36-08GO28308 to NREL. The high performance computing resources of the National Energy Research Scientific Computing Center and of NREL's Computational Science Center are gratefully acknowledged. NR 49 TC 15 Z9 15 U1 1 U2 50 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2013 VL 87 IS 17 AR 174113 DI 10.1103/PhysRevB.87.174113 PG 5 WC Physics, Condensed Matter SC Physics GA 155EJ UT WOS:000319729000001 ER PT J AU Xie, H Lu, WC Zhang, W Qin, PH Wang, CZ Ho, KM AF Xie, Hui Lu, Wen-Cai Zhang, Wei Qin, Peng-Hua Wang, C. Z. Ho, K. M. TI Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene SO CHEMICAL PHYSICS LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; QUANTUM DOTS; BORON-NITRIDE; BASIS-SET; GRAPHITE; GRAPHANE; METALS AB Triangular graphene nanoflakes (GNFs) embedded in fluorinated graphene are systematically investigated using first-principles density functional theory (DFT) calculations. The electronic and magnetic properties of such nanoflakes depend sensitively on the topology (armchair or zigzag) and the length of the edge of nanofakes. All embedded armchair triangular GNFs are semiconducting with size-dependent band gaps. The embedded zigzag triangular GNFs are magnetic with a ferrimagnetic ground state due to topological frustration of the pi bonds. The magnetic moment scales linear with the size of the triangular GNF. (C) 2013 Elsevier B.V. All rights reserved. C1 [Xie, Hui; Lu, Wen-Cai; Zhang, Wei; Qin, Peng-Hua] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130021, Peoples R China. [Lu, Wen-Cai] Qingdao Univ, Coll Phys Sci, Qingdao 266071, Shandong, Peoples R China. [Lu, Wen-Cai] Qingdao Univ, Lab Fiber Mat & Modern Textile, Growing Base State Key Lab, Qingdao 266071, Shandong, Peoples R China. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Ames Laboratory US DOE, Ames, IA 50011 USA. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Lu, WC (reprint author), Qingdao Univ, Coll Phys Sci, Qingdao 266071, Shandong, Peoples R China. EM wencailu@jlu.edu.cn FU National Natural Science Foundation of China [21273122]; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; Jilin Province Science and Technology Development Plan [201101063] FX This Letter was supported by the National Natural Science Foundation of China (No. 21273122). Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This Letter was also supported by the Director for Energy Research, Office of Basic Energy Sciences including a Grant of computer time at the National Energy Research Supercomputing Center (NERSC) in Berkeley. This Letter was also supported by Jilin Province Science and Technology Development Plan (No. 201101063). NR 46 TC 2 Z9 2 U1 3 U2 74 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD MAY 30 PY 2013 VL 572 BP 48 EP 52 DI 10.1016/j.cplett.2013.03.084 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149PH UT WOS:000319332600009 ER PT J AU Wang, H Miller, JT Shakouri, M Xi, CY Wu, TP Zhao, HY Akatay, MC AF Wang, Hui Miller, Jeffrey T. Shakouri, Mohsen Xi, Chunyu Wu, Tianpin Zhao, Haiyan Akatay, M. Cem TI XANES and EXAFS studies on metal nanoparticle growth and bimetallic interaction of Ni-based catalysts for CO2 reforming of CH4 SO CATALYSIS TODAY LA English DT Article DE Metal nanoparticles; Catalyst reduction; XANES; EXFAS; CO2 reforming of CH4 ID THERMAL-STABILITY; PARTIAL OXIDATION; SYNTHESIS GAS; METHANE; REDUCTION; NICKEL AB Two groups of catalysts containing Ni and/or Co metals and MgAlOx as support material were made using coprecipitation and incipient wetness impregnation methods, respectively. The mechanism of metal particle growth during reduction of the monometallic Ni or Co and bimetallic Ni-Co catalysts was studied using X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure spectroscopy (EXAFS). The results show that the bimetallic Ni-Co catalysts made by coprecipitation method resulted in smaller metal nanoparticles upon reduction. TEM confirmed this observation and revealed that this catalyst has well-dispersed, more uniform metal particles. The metal reduction extent of Ni monometallic catalysts and the bimetallic catalysts made by impregnation was similar with respect to each metal. For the bimetallic Ni-Co catalysts made by coprecipitation, the interactions between two metals in reduction were observed such that Ni reduction was mitigated by Co, and Co reduction was promoted by Ni. And the first derivative of XANES of such made catalysts indicated stronger interaction between Ni and Co atoms and, perhaps, alloy formation. Time resolved analysis found that Ni reduction followed the second order kinetics at early stage and Co proceeded through the zero order all the way in catalyst reduction. The catalyst stability enhancement by Co atoms and the mechanism of Ni and Co interaction during reduction are explained. (C) 2012 Elsevier B. V. All rights reserved. C1 [Wang, Hui; Shakouri, Mohsen; Xi, Chunyu] Univ Saskatchewan, Dept Chem & Biol Engn, Saskatoon, SK S7N 5A9, Canada. [Miller, Jeffrey T.; Wu, Tianpin] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Zhao, Haiyan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Akatay, M. Cem] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP Wang, H (reprint author), Univ Saskatchewan, Dept Chem & Biol Engn, Saskatoon, SK S7N 5A9, Canada. EM hui.wang@usask.ca RI BM, MRCAT/G-7576-2011; ID, MRCAT/G-7586-2011 FU Natural Science and Engineering Research Council of Canada (NSERC) FX The authors acknowledge the financial support from the Natural Science and Engineering Research Council of Canada (NSERC) with Discovery grant program. They are also grateful to Dr. Yongfeng Hu and his assistant in fitting part of the XANES results. H. Wang thanks Argonne National Laboratory for hosting his sabbatical leave, during which part of this research was done. NR 21 TC 8 Z9 8 U1 6 U2 102 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD MAY 30 PY 2013 VL 207 BP 3 EP 12 DI 10.1016/j.cattod.2012.09.015 PG 10 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 144BZ UT WOS:000318915900002 ER PT J AU Abdelsayed, V Shekhawat, D Poston, JA Spivey, JJ AF Abdelsayed, Victor Shekhawat, Dushyant Poston, James A., Jr. Spivey, James J. TI Synthesis, characterization, and catalytic activity of Rh-based lanthanum zirconate pyrochlores for higher alcohol synthesis SO CATALYSIS TODAY LA English DT Article DE Higher alcohol synthesis; Pyrochlore; CO hydrogenation; Syngas conversion; Ethanol synthesis; Pechini method; Microwave reduction; Rh nanoparticles ID OXIDE FUEL-CELL; RHODIUM SILICA CATALYSTS; CO HYDROGENATION; SYNTHESIS GAS; SUPPORTED RHODIUM; PROMOTED RHODIUM; CARBON NANOTUBES; H-2/CO RATIO; ETHANOL; SYNGAS AB Two Rh-based lanthanum zirconate pyrochlores (La2Zr2O7; LZ) were prepared by the Pechini method and tested for the synthesis of higher alcohols via CO hydrogenation. In one, Rh was substituted into the pyrochlore lattice (LRZ, 1.7 wt%) while for the second, Rh was supported on an unsubstituted La2Zr2O7 (R/LZ, 1.8 wt%). X-ray photoelectron spectroscopy (XPS) and temperature programmed reduction (TPR) results show that the surface reducibility depends on whether the Rh is in (or supported on) the LZ pyrochlore. The total hydrogen consumption in TPR for LRZ (0.28 mg H-2/g(cat)) is much greater than R/LZ (0.07 mg H-2/g(cat)), likely due to the presence of a perovskite phase in the LRZ (LaRhO3; identified by XRD), in which rhodium is more reducible than in R/LZ. The formation of the perovskite accompanies that of the pyrochlore in the synthesis process, which includes heat treatment up to 1000 degrees C. CO hydrogenation results show higher ethanol selectivity for R/LZ than LRZ, possibly due to the strong interaction between Rh and LZ on the R/LZ, forming atomically close Rh+/Rh-0 sites, which have been suggested to favor ethanol production. Published by Elsevier B.V. C1 [Abdelsayed, Victor; Shekhawat, Dushyant; Poston, James A., Jr.; Spivey, James J.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Abdelsayed, Victor] URS Corp, Morgantown, WV 26507 USA. [Spivey, James J.] Louisiana State Univ, Cain Dept Chem Engn, Baton Rouge, LA 70803 USA. RP Shekhawat, D (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM dushyant.shekhawat@netl.doe.gov FU NETL-Fuels program, Research and Engineering Support (RES) [FE0004000] FX Funding provided by NETL-Fuels program, Research and Engineering Support (RES), Contract No. FE0004000. We gratefully acknowledge David Berry, Daniel Haynes, and Mark Smith for useful discussions, Frank Thomas for reactor setup, and Kimberly Carter and Jinesh Jain for ICP analysis. NR 81 TC 18 Z9 19 U1 9 U2 110 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 MAY 30 PY 2013 VL 207 BP 65 EP 73 DI 10.1016/j.cattod.2012.07.011 PG 9 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 144BZ UT WOS:000318915900010 ER PT J AU Bochev, P Lai, J Olson, L AF Bochev, Pavel Lai, James Olson, Luke TI A non-conforming least-squares finite element method for incompressible fluid flow problems SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article DE least-squares finite element methods; discontinuous elements; Stokes and NavierStokes equations; piecewise divergence-free velocity; stream function; vorticity; pressure; mass conservation AB In this paper, we develop least-squares finite element methods (LSFEMs) for incompressible fluid flows with improved mass conservation. Specifically, we formulate a new locally conservative LSFEM for the velocityvorticitypressure Stokes system, which uses a piecewise divergence-free basis for the velocity and standard C0 elements for the vorticity and the pressure. The new method, which we term dV-VP improves upon our previous discontinuous stream-function formulation in several ways. The use of a velocity basis, instead of a stream function, simplifies the imposition and implementation of the velocity boundary condition, and eliminates second-order terms from the least-squares functional. Moreover, the size of the resulting discrete problem is reduced because the piecewise solenoidal velocity element is approximately one-half of the dimension of a stream-function element of equal accuracy. In two dimensions, the discontinuous stream-function LSFEM [1] motivates modification of our functional, which further improves the conservation of mass. We briefly discuss the extension of this modification to three dimensions. Computational studies demonstrate that the new formulation achieves optimal convergence rates and yields high conservation of mass. We also propose a simple diagonal preconditioner for the dV-VP formulation, which significantly reduces the condition number of the LSFEM problem. Published 2012. This article is a US Government work and is in the public domain in the USA. C1 [Bochev, Pavel] Sandia Natl Labs, Numer Anal & Applicat Dept, Albuquerque, NM 87185 USA. [Lai, James; Olson, Luke] Univ Illinois, Dept Comp Sci, Urbana, IL USA. RP Bochev, P (reprint author), Sandia Natl Labs, Mail Stop 1320, Albuquerque, NM 87185 USA. EM pbboche@sandia.gov FU NSF [DMS 07-46676]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was partially supported by the NSF (contract/grant number DMS 07-46676). This work was also supported by Sandia National Laboratories, a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 0 TC 4 Z9 4 U1 1 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD MAY 30 PY 2013 VL 72 IS 3 BP 375 EP 402 DI 10.1002/fld.3748 PG 28 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 131OS UT WOS:000318003600006 ER PT J AU Takacs-Vesbach, C Inskeep, WP Jay, ZJ Herrgard, MJ Rusch, DB Tringe, SG Kozubal, MA Hamamura, N Macur, RE Fouke, BW Reysenbach, AL McDermott, TR Jennings, RD Hengartner, NW Xie, G AF Takacs-Vesbach, Cristina Inskeep, William P. Jay, Zackary J. Herrgard, Markus J. Rusch, Douglas B. Tringe, Susannah G. Kozubal, Mark A. Hamamura, Natsuko Macur, Richard E. Fouke, Bruce W. Reysenbach, Anna-Louise McDermott, Timothy R. Jennings, Ryan deM. Hengartner, Nicolas W. Xie, Gary TI Metagenome sequence analysis of filamentous microbial communities obtained from geochemically distinct geothermal channels reveals specialization of three Aquificales lineages SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE thermophiles; functional genomics; phylogeny; autotrophic processes; sulfide oxidation ID YELLOWSTONE-NATIONAL-PARK; TRICARBOXYLIC-ACID CYCLE; MAMMOTH HOT-SPRINGS; TRAVERTINE DEPOSITIONAL FACIES; HYDROGEN-OXIDIZING BACTERIUM; AUTOTROPHIC CO2 FIXATION; ARSENITE OXIDASE GENES; RIBOSOMAL-RNA GENE; HYDROTHERMAL VENTS; SP NOV. AB The Aquificales are thermophilic microorganisms that inhabit hydrothermal systems worldwide and are considered one of the earliest lineages of the domain Bacteria. We analyzed metagenome sequence obtained from six thermal "filamentous streamer" communities (similar to 40 Mbp per site), which targeted three different groups of Aquificales found in Yellowstone National Park (YNP). Unassembled metagenome sequence and PCR-amplified 16S rRNA gene libraries revealed that acidic, sulfidic sites were dominated by Hydrogenobaculum (Aquificaceae) populations, whereas the circum-neutral pH (6.5-7.8) sites containing dissolved sulfide were dominated by Sulfurihydrogenibium spp. (Hydrogenothermaceae). Thermocrinis (Aquificaceae) populations were found primarily in the circum-neutral sites with undetectable sulfide, and to a lesser extent in one sulfidic system at pH 8. Phylogenetic analysis of assembled sequence containing 16S rRNA genes as well as conserved protein-encoding genes revealed that the composition and function of these communities varied across geochemical conditions. Each Aquificales lineage contained genes for CO2 fixation by the reverse-TCA cycle, but only the Sulfurihydrogenibium populations perform citrate cleavage using ATP citrate lyase (Acl). The Aquificaceae populations use an alternative pathway catalyzed by two separate enzymes, citryl-CoA synthetase (Cos), and citryl-CoA lyase (Col). All three Aquificales lineages contained evidence of aerobic respiration, albeit due to completely different types of heme Cu oxidases (subunit I) involved in oxygen reduction. The distribution of Aquificales populations and differences among functional genes involved in energy generation and electron transport is consistent with the hypothesis that geochemical parameters (e.g., pH, sulfide, H-2, O-2) have resulted in niche specialization among members of the Aquificales. C1 [Takacs-Vesbach, Cristina] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Inskeep, William P.; Jay, Zackary J.; Macur, Richard E.; McDermott, Timothy R.; Jennings, Ryan deM.] Montana State Univ, Thermal Biol Inst, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. [Herrgard, Markus J.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Horsholm, Denmark. [Rusch, Douglas B.] Indiana Univ, Ctr Genom & Bioinformat, Bloomington, IN USA. [Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Hamamura, Natsuko] Ehime Univ, Ctr Marine Environm Studies, Matsuyama, Ehime, Japan. [Fouke, Bruce W.] Univ Illinois, Roy J Carver Biotechnol Ctr, Urbana, IL 61801 USA. [Reysenbach, Anna-Louise] Portland State Univ, Dept Biol, Portland, OR 97207 USA. [Hengartner, Nicolas W.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM USA. [Xie, Gary] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. RP Takacs-Vesbach, C (reprint author), Univ New Mexico, Dept Biol, MSC03 2020, Albuquerque, NM 87131 USA. EM cvesbach@unm.edu; binskeep@montana.edu OI Tringe, Susannah/0000-0001-6479-8427; xie, gary/0000-0002-9176-924X FU National Science Foundation Research Coordination Network Program [MCB 0342269]; DOE-Joint Genome Institute Community Sequencing Program [CSP 787081]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX Authors appreciate support from the National Science Foundation Research Coordination Network Program (MCB 0342269), the DOE-Joint Genome Institute Community Sequencing Program (CSP 787081) as well as all individual author institutions and associated research support that together has made this study possible. The work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Authors appreciate research permits (Permit No. YELL-5568, 2007-2010) managed by C. Hendrix and S. Guenther (Center for Resources, YNP), which made this collaborative effort possible. NR 93 TC 23 Z9 23 U1 3 U2 27 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 29 PY 2013 VL 4 AR 84 DI 10.3389/fmicb.2013.00084 PG 25 WC Microbiology SC Microbiology GA AA5HI UT WOS:000331126300001 PM 23755042 ER PT J AU Chung, DW Farkas, J Westpheling, J AF Chung, Daehwan Farkas, Joel Westpheling, Janet TI Overcoming restriction as a barrier to DNA transformation in Caldicellulosiruptor species results in efficient marker replacement SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Caldicellulosiruptor species; Biomass conversion; Restriction-modification enzymes; CbeI; M. CbeI; Targeted deletion ID BESCII DSM 6725; PLANT BIOMASS; ANAEROCELLUM-THERMOPHILUM; CLOSTRIDIUM-THERMOCELLUM; SP-NOV.; CELLULOLYTIC BACTERIUM; ANAEROBIC BACTERIUM; GEN-NOV; ENZYMES; DEGRADATION AB Background: Thermophilic microorganisms have special advantages for the conversion of plant biomass to fuels and chemicals. Members of the genus Caldicellulosiruptor are the most thermophilic cellulolytic bacteria known. They have the ability to grow on a variety of non-pretreated biomass substrates at or near similar to 80 degrees C and hold promise for converting biomass to bioproducts in a single step. As for all such relatively uncharacterized organisms with desirable traits, the ability to genetically manipulate them is a prerequisite for making them useful. Metabolic engineering of pathways for product synthesis is relatively simple compared to engineering the ability to utilize non-pretreated biomass. Results: Here we report the construction of a deletion of cbeI (Cbes2438), which encodes a restriction endonuclease that is as a major barrier to DNA transformation of C. bescii. This is the first example of a targeted chromosomal deletion generated by homologous recombination in this genus and the resulting mutant, JWCB018 (Delta pyrFA Delta cbeI), is readily transformed by DNA isolated from E. coli without in vitro methylation. PCR amplification and sequencing suggested that this deletion left the adjacent methyltransferase (Cbes2437) intact. This was confirmed by the fact that DNA isolated from JWCB018 was protected from digestion by CbeI and HaeIII. Plasmid DNA isolated from C. hydrothermalis transformants were readily transformed into C. bescii. Digestion analysis of chromosomal DNA isolated from seven Caldicellulosiruptor species by using nine different restriction endonucleases was also performed to identify the functional restriction-modification activities in this genus. Conclusion: Deletion of the cbeI gene removes a substantial barrier to routine DNA transformation and chromosomal modification of C. bescii. This will facilitate the functional analyses of genes as well as metabolic engineering for the production of biofuels and bioproducts from biomass. An analysis of restriction-modification activities in members of this genus suggests a way forward to eliminating restriction as a barrier to DNA transformation and efficient genetic manipulation of this important group of hyperthermophiles. C1 [Chung, Daehwan; Farkas, Joel; Westpheling, Janet] Univ Georgia, Dept Genet, Athens, GA 30602 USA. [Chung, Daehwan; Farkas, Joel; Westpheling, Janet] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Westpheling, J (reprint author), Univ Georgia, Dept Genet, Athens, GA 30602 USA. EM janwest@uga.edu FU BioEnergy Science Center; U.S. Department of Energy Bioenergy Research Center; Office of Biological and Environmental Research in the DOE Office of Science; predoctoral Graduate Training in Genetics grant [NIH 5T32GM007103-30] FX We thank Jennifer Copeland for outstanding technical assistance, Bob Kelly and Sara Blumer-Schuette for providing the Caldicellulosiruptor species used in this study, Joe Groom and Jenna Young for critical review of the manuscript. This work was supported by The BioEnergy Science Center supported by a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. JF was supported in part by a predoctoral Graduate Training in Genetics grant (NIH 5T32GM007103-30) to the Genetics Department of the University of Georgia. NR 44 TC 21 Z9 21 U1 1 U2 35 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD MAY 29 PY 2013 VL 6 AR 82 DI 10.1186/1754-6834-6-82 PG 9 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA 161KW UT WOS:000320192800001 PM 23714229 ER PT J AU Xu, MY He, ZL Deng, Y Wu, LY van Nostrand, JD Hobbie, SE Reich, PB Zhou, JZ AF Xu, Meiying He, Zhili Deng, Ye Wu, Liyou van Nostrand, Joy D. Hobbie, Sarah E. Reich, Peter B. Zhou, Jizhong TI Elevated CO2 influences microbial carbon and nitrogen cycling SO BMC MICROBIOLOGY LA English DT Article ID FUNCTIONAL GENE MICROARRAYS; COMMUNITY COMPOSITION; PLANT DIVERSITY; ATMOSPHERIC CO2; PHOTOSYNTHETIC BACTERIUM; SOIL-MICROORGANISMS; CONTINENTAL-SCALE; RESPONSES; ECOSYSTEM; ENRICHMENT AB Background: Elevated atmospheric CO2 (eCO(2)) has been shown to have significant effects on terrestrial ecosystems. However, little is known about its influence on the structure, composition, and functional potential of soil microbial communities, especially carbon (C) and nitrogen (N) cycling. A high-throughput functional gene array (GeoChip 3.0) was used to examine the composition, structure, and metabolic potential of soil microbial communities from a grassland field experiment after ten-year field exposure to ambient and elevated CO2 concentrations. Results: Distinct microbial communities were established under eCO(2). The abundance of three key C fixation genes encoding ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco), carbon monoxide dehydrogenase (CODH) and propionyl-CoA/acetyl-CoA carboxylase (PCC/ACC), significantly increased under eCO(2), and so did some C degrading genes involved in starch, cellulose, and hemicellulose. Also, nifH and nirS involved in N cycling were significantly stimulated. In addition, based on variation partitioning analysis (VPA), the soil microbial community structure was largely shaped by direct and indirect eCO(2)-driven factors. Conclusions: These findings suggest that the soil microbial community structure and their ecosystem functioning for C and N cycling were altered dramatically at eCO(2). This study provides new insights into our understanding of the feedback response of soil microbial communities to elevated CO2 and global change. C1 [Xu, Meiying] Guangdong Inst Microbiol, Minist Guangdong Prov Jointly Breeding Base, State Key Lab Appl Microbiol, Guangzhou, Guangdong, Peoples R China. [Xu, Meiying; He, Zhili; Deng, Ye; Wu, Liyou; van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Xu, Meiying; He, Zhili; Deng, Ye; Wu, Liyou; van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Hobbie, Sarah E.] Univ Minnesota, Dept Ecol Evolut & Behav, St Paul, MN 55108 USA. [Reich, Peter B.] Univ Minnesota, Dept Forest Resources, St Paul, MN USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. RP Xu, MY (reprint author), Guangdong Inst Microbiol, Minist Guangdong Prov Jointly Breeding Base, State Key Lab Appl Microbiol, Guangzhou, Guangdong, Peoples R China. EM xumy@gdim.cn RI Van Nostrand, Joy/F-1740-2016; OI Hobbie, Sarah/0000-0001-5159-031X; Van Nostrand, Joy/0000-0001-9548-6450; ?, ?/0000-0002-7584-0632 FU United States Department of Agriculture through NSF-USDA Microbial Observatories Program [2007-35319-18305]; US Department of Energy [DE-SC0004601]; National Science Foundation [DEB-0716587, DEB-0620652, DEB-0322057, DEB-0080382, DEB-0218039, DEB-0219104, DEB-0217631]; DOE Program for Ecosystem Research; Minnesota Environment and Natural Resources Trust Fund; Team Project of the Natural Science Foundation of Guangdong Province, China [9351007002000001] FX This work is supported by the United States Department of Agriculture (Project 2007-35319-18305) through NSF-USDA Microbial Observatories Program; by US Department of Energy (contract DE-SC0004601), by the National Science Foundation under Grant Numbers DEB-0716587 and DEB-0620652 as well as DEB-0322057, DEB-0080382, DEB-0218039 DEB-0219104, DEB-0217631, DEB-0716587 (BioComplexity, Cedar Creek LTER and LTREB projects); the DOE Program for Ecosystem Research; the Minnesota Environment and Natural Resources Trust Fund; and the Team Project of the Natural Science Foundation of Guangdong Province, China (9351007002000001). NR 49 TC 13 Z9 14 U1 4 U2 111 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2180 J9 BMC MICROBIOL JI BMC Microbiol. PD MAY 29 PY 2013 VL 13 AR 124 DI 10.1186/1471-2180-13-124 PG 11 WC Microbiology SC Microbiology GA 160NC UT WOS:000320125400001 PM 23718284 ER PT J AU Janowski, PA Cerutti, DS Holton, J Case, DA AF Janowski, Pawel A. Cerutti, David S. Holton, James Case, David A. TI Peptide Crystal Simulations Reveal Hidden Dynamics SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID STREPTAVIDIN-BIOTIN COMPLEX; X-RAY CRYSTALLOGRAPHY; PARTICLE MESH EWALD; RELATE 2 SETS; MOLECULAR-DYNAMICS; FORCE-FIELDS; PROTEIN CRYSTAL; WATER MODELS; VALIDATION; REFINEMENT AB Molecular dynamics simulations of biomolecular crystals at atomic resolution have the potential to recover information on dynamics and heterogeneity hidden in X-ray diffraction data. We present here 9.6 mu s of dynamics in a small helical peptide crystal with 36 independent copies of the unit cell. The average simulation structure agrees with experiment to within 0.28 angstrom backbone and 0.42 angstrom all-atom RMSD; a model refined against the average simulation density agrees with the experimental structure to within 0.20 angstrom backbone and 0.33 angstrom all-atom RMSD. The R-factor between the experimental structure factors and those derived from this unrestrained simulation is 23% to 1.0 angstrom resolution. The B-factors for most heavy atoms agree well with experiment (Pearson correlation of 0.90), but B-factors obtained by refinement against the average simulation density underestimate the coordinate fluctuations in the underlying simulation where the simulation samples alternate conformations. A dynamic flow of water molecules through channels within the crystal lattice is observed, yet the average water density is in remarkable agreement with experiment. A minor population of unit cells is characterized by reduced water content, 3,0 helical propensity and a gauche(-) side-chain rotamer for one of the valine residues. Careful examination of the experimental data suggests that transitions of the helices are a simulation artifact, although there is indeed evidence for alternate valine conformers and variable water content. This study highlights the potential for crystal simulations to detect dynamics and heterogeneity in experimental diffraction data as well as to validate computational chemistry methods. C1 [Janowski, Pawel A.; Cerutti, David S.; Case, David A.] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. [Janowski, Pawel A.; Cerutti, David S.; Case, David A.] Rutgers State Univ, BioMaPS Inst, Piscataway, NJ 08854 USA. [Holton, James] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Case, DA (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. EM case@biomaps.rutgers.edu FU NIH [GM 45811]; Rutgers Presidential Fellowship; National Institutes of Health [GM073210, GM082250, GM094625]; U.S. Department of Energy [DE-AC02-05CH11231] FX Experimental diffraction data of the fav8 decapeptide was kindly provided by S. Aravinda and P. Balaram. We thank Darrin York, Huanwang Yang, and Joe Marcotrigiano for helpful discussions. This work was supported in part by NIH grant GM 45811 and by a Rutgers Presidential Fellowship to P.A.J. J.M.H. is also supported by the National Institutes of Health GM073210, GM082250, and GM094625 and the Integrated Diffraction Analysis Technologies (IDAT) program under contract no. DE-AC02-05CH11231 with the U.S. Department of Energy. NR 57 TC 14 Z9 14 U1 4 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 29 PY 2013 VL 135 IS 21 BP 7938 EP 7948 DI 10.1021/ja401382y PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 156XH UT WOS:000319856700026 PM 23631449 ER PT J AU Suntivich, J Xu, ZC Carlton, CE Kim, J Han, BH Lee, SW Bonnet, N Marzari, N Allard, LF Gasteiger, HA Hamad-Schifferli, K Shao-Horn, Y AF Suntivich, Jin Xu, Zhichuan Carlton, Christopher E. Kim, Junhyung Han, Binghong Lee, Seung Woo Bonnet, Nicephore Marzari, Nicola Allard, Lawrence F. Gasteiger, Hubert A. Hamad-Schifferli, Kimberly Shao-Horn, Yang TI Surface Composition Tuning of Au-Pt Bimetallic Nanoparticles for Enhanced Carbon Monoxide and Methanol Electro-oxidation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXYGEN-REDUCTION ELECTROCATALYSTS; CORE-SHELL NANOPARTICLES; CORE/SHELL NANOPARTICLES; RU ALLOYS; PLATINUM; GOLD; CATALYSTS; OXIDATION; PD; ELECTRODES AB The ability to direct bimetallic nanoparticles to express desirable surface composition is a crucial step toward effective heterogeneous catalysis, sensing, and bionanotechnology applications. Here we report surface composition tuning of bimetallic Au-Pt electrocatalysts for carbon monoxide and methanol oxidation reactions. We establish a direct correlation between the surface composition of Au-Pt nanoparticles and their catalytic activities. We find that the intrinsic activities of Au-Pt nanoparticles with the same bulk composition of Au0.5Pt0.5 can be enhanced by orders of magnitude by simply controlling the surface. composition. We attribute this magnitude enhancement to the weakened CO binding on Pt in discrete Pt or Pt-rich dusters surrounded the true surface Au atoms. Our finding demonstrates the importance of surface composition control at the nanoscale in harnessing e true electrocatalytic potential of bimetallic nanoparticles and opens up strategies for the development of highly active bimetallic nanoparticles for electrochemical energy conversion. C1 [Suntivich, Jin; Han, Binghong; Bonnet, Nicephore; Marzari, Nicola; Shao-Horn, Yang] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Xu, Zhichuan; Carlton, Christopher E.; Kim, Junhyung; Lee, Seung Woo; Gasteiger, Hubert A.; Hamad-Schifferli, Kimberly; Shao-Horn, Yang] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Hamad-Schifferli, Kimberly] MIT, Dept Biol Engn, Cambridge, MA 02139 USA. [Allard, Lawrence F.] Oak Ridge Natl Lab, Microscopy Grp, Oak Ridge, TN 37831 USA. RP Gasteiger, HA (reprint author), Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85747 Garching, Germany. EM hubert.gasteiger@tum.de; schiffer@mit.edu; shaohorn@mit.edu RI Lee, Seung Woo/B-5820-2013; Xu, Zhichuan/D-1661-2013; Marzari, Nicola/D-6681-2016; OI Lee, Seung Woo/0000-0002-2695-7105; Xu, Zhichuan/0000-0001-7746-5920; Marzari, Nicola/0000-0002-9764-0199; Han, Binghong/0000-0002-2919-3235 FU MRSEC of the National Science Foundation [DMR 0819762]; DOE Hydrogen Initiative [DE-FG02-05ER15728]; DOE EERE through General Motors [DE-EE0000458]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; Chesonis Foundation FX This work was supported in part by the MRSEC Program of the National Science Foundation under award number DMR 0819762, the DOE Hydrogen Initiative program under award number DE-FG02-05ER15728, and the DOE EERE award DE-EE0000458 via subcontract through General Motors. Microscopy work at Oak Ridge National Laboratory's High Temperature Materials Laboratory was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. J.S. was supported by the Chesonis Foundation Fellowship. The authors would like to thank Dr. Eva Mutoro for the help with the illustration. NR 40 TC 99 Z9 99 U1 30 U2 384 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 29 PY 2013 VL 135 IS 21 BP 7985 EP 7991 DI 10.1021/ja402072r PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 156XH UT WOS:000319856700031 PM 23646922 ER PT J AU Cui, YJ Abouimrane, A Lu, J Bolin, T Ren, Y Weng, W Sun, CJ Maroni, VA Heald, SM Amine, K AF Cui, Yanjie Abouimrane, Ali Lu, Jun Bolin, Trudy Ren, Yang Weng, Wei Sun, Chengjun Maroni, Victor A. Heald, Steve M. Amine, Khalil TI (De)Lithiation Mechanism of Li/SeSx (x=0-7) Batteries Determined by in Situ Synchrotron X-ray Diffraction and X-ray Absorption Spectroscopy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID LITHIUM-SULFUR BATTERIES; POLYSELENIDE ELECTROLYTES; LIQUID ELECTROLYTES; SELENIUM; CATHODE; IONS; POLYSULFIDES; PERFORMANCE; SPECIATION; REDUCTION AB Electrical energy storage for transportation has gone beyond the limit of converntional lithium ion batteries currently. New material or new battery system development is an alternative approach to achieve the goal of new high-energy storage system with energy densities 5 times or more greater. A series of SeSx-carbon (x = 0-7) composite materials has been prepared and evaluated as the positive electrodes in secondary lithium cells with ether-based electrolyte. In situ synchrotron high-energy X-ray diffraction was utilized to investigate the crystalline phase transition during cell cycling. Complementary, in situ Se K-edge X-ray absorption near edge structure analysis was used to track the evolution of the Se valence state for both crystalline and noncrystalline Phases, including amorphous and electrolyte-dissolved phases in the (de)lithiation process. On the basis of these results, a mechanism for the (de)lithiation process is proposed, where Se is reduced to the polyselenides, Li2Sen (n >= 4), Li2Se2, and Li2Se sequentially during the lithiation and Li2Se is oxidized to Se through Li2Sen (n >= 4) during the delithiation. In addition, X-ray photoelectron spectroscopy and electrochemical impedance spectroscopy demonstrated the reversibility of the Li/Se system in ether-based electrolyte and the presence of side products in the carbonate-based electrolytes. For Li/SeS2 and Li/SeS7 cells, Li2Se and Li2S are the discharged products with the presence of Se only as the crystalline phase in the end of charge. C1 [Cui, Yanjie; Abouimrane, Ali; Lu, Jun; Weng, Wei; Maroni, Victor A.; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Bolin, Trudy; Ren, Yang; Sun, Chengjun; Heald, Steve M.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Amine, Khalil] King Abdulaziz Univ, Jeddah 21413, Saudi Arabia. RP Abouimrane, A (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abouimrane@anl.gov RI Cui, Yanjie/G-9826-2011; Amine, Khalil/K-9344-2013 OI Cui, Yanjie/0000-0001-8114-4089; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOE; Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) under EERE; Oak Ridge Associated Universities (ORAU) under DOE [DE-AC05-06OR23100] FX Work done at Argonne and use of the Advanced Photon Source and the Center for Nanoscale Materials at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The pouch cells were produced at the U.S. Department of Energy's (DOE) Cell Fabrication Facility, Argonne National Laboratory. The Cell Fabrication Facility is fully supported by the DOE Vehicle Technologies Program (VTP) within the core funding of the Applied Battery Research (ABR) for Transportation Program. We thank Xiangyi Luo for part of in situ HEXRD data collection. J. Lu was supported by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE. ORISE is managed by Oak Ridge Associated Universities (ORAU) under DOE contract number DE-AC05-06OR23100. NR 41 TC 78 Z9 80 U1 32 U2 256 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 29 PY 2013 VL 135 IS 21 BP 8047 EP 8056 DI 10.1021/ja402597g PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 156XH UT WOS:000319856700038 PM 23631402 ER PT J AU Olsen, E Pfutzner, M Birge, N Brown, M Nazarewicz, W Perhac, A AF Olsen, E. Pfuetzner, M. Birge, N. Brown, M. Nazarewicz, W. Perhac, A. TI Landscape of Two-Proton Radioactivity SO PHYSICAL REVIEW LETTERS LA English DT Article ID PROTON DRIP-LINE; NUCLEAR-STRUCTURE; NEUTRON; SHELL; DECAY; PARAMETRIZATION; STABILITY; LIMITS; FE-45 AB Although the equations governing fluid flow are well known, there are no analytical expressions that describe the complexity of turbulent motion. A recent proposition is that in analogy to low dimensional chaotic systems, turbulence is organized around unstable solutions of the governing equations which provide the building blocks of the disordered dynamics. We report the discovery of periodic solutions which just like intermittent turbulence are spatially localized and show that turbulent transients arise from one such solution branch. C1 [Olsen, E.; Birge, N.; Brown, M.; Nazarewicz, W.; Perhac, A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Olsen, E.; Birge, N.; Nazarewicz, W.; Perhac, A.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Pfuetzner, M.; Nazarewicz, W.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Pfuetzner, M.] CERN, Dept Phys, CH-1211 Geneva 23, Switzerland. [Brown, M.] Berea Coll, Dept Phys, Berea, KY 40404 USA. RP Olsen, E (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. FU U.S. Department of Energy (DOE) [DE-FG02-96ER40963, DE-FG52-09NA29461, DE-SC0008499]; Polish National Science Center [DEC-2011/01/B/ST2/01943]; DOE [DE-AC05-00OR22725] FX This work was supported by the U.S. Department of Energy (DOE) under Contracts No. DE-FG02-96ER40963 (University of Tennessee), No. DE-FG52-09NA29461 (the Stewardship Science Academic Alliances program), and No. DE-SC0008499 (NUCLEI SciDAC Collaboration), and by the Polish National Science Center under Contract No. DEC-2011/01/B/ST2/01943. Computer time was provided by the INCITE program. This research used resources of the OLCF facility, which is supported by the DOE under Contract No. DE-AC05-00OR22725. NR 41 TC 14 Z9 15 U1 3 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 29 PY 2013 VL 110 IS 22 AR 222501 DI 10.1103/PhysRevLett.110.222501 PG 5 WC Physics, Multidisciplinary SC Physics GA 154NI UT WOS:000319682200008 PM 23767715 ER PT J AU Tsyrulin, N Batista, CD Zapf, VS Jaime, M Hansen, BR Niedermayer, C Rule, KC Habicht, K Prokes, K Kiefer, K Ressouche, E Paduan, A Kenzelmann, M AF Tsyrulin, N. Batista, C. D. Zapf, V. S. Jaime, M. Hansen, B. R. Niedermayer, C. Rule, K. C. Habicht, K. Prokes, K. Kiefer, K. Ressouche, E. Paduan-Filho, A. Kenzelmann, M. TI Neutron study of the magnetism in NiCl2 center dot 4SC(NH2)(2) SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID MAGNETIZATION; TLCUCL3 AB We study the strongly anisotropic quasi-one-dimensional S = 1 quantum magnet NiCl2 center dot 4SC(NH2)(2) using elastic and inelastic neutron scattering. We demonstrate that a magnetic field splits the excited doublet state and drives the lower doublet state to zero energy at a critical field H-c1. For H-c1 < H < H-c2, where H-c2 indicates the transition to a fully magnetized state, three-dimensional magnetic order is established with the AF moment perpendicular to the magnetic field. We mapped the temperature/magnetic field phase diagram, and we find that the total ordered magnetic moment reaches m(tot) = 2.1 mu(B) at the field mu H-0 = 6 T and is thus close to the saturation value of the fully ordered moment. We study the magnetic spin dynamics in the fully magnetized state for H > H-c2, and we demonstrate the presence of an AF interaction between Ni2+ on the two interpenetrating sublattices. In the antiferromagnetically ordered phase, the spin-waves that develop from the lower-energy doublet are split into two modes. This is most likely the result of the presence of the AF interaction between the interpenetrating lattices. C1 [Tsyrulin, N.; Hansen, B. R.; Niedermayer, C.] Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. [Batista, C. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zapf, V. S.; Jaime, M.] Los Alamos Natl Lab, High Field Magnet Lab, Los Alamos, NM 87545 USA. [Rule, K. C.; Habicht, K.; Prokes, K.; Kiefer, K.] Helmholtz Zentrum Mat & Energie, D-14109 Berlin, Germany. [Ressouche, E.] INAC, UMR E CEA UJF Grenoble 1, SPSMS, F-38054 Grenoble, France. [Paduan-Filho, A.] Univ Sao Paolo, Inst Fis, BR-05315970 Sao Paulo, Brazil. [Kenzelmann, M.] Paul Scherrer Inst, Lab Dev & Methods, CH-5232 Villigen, Switzerland. RP Tsyrulin, N (reprint author), Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. RI Habicht, Klaus/K-3636-2013; Kiefer, Klaus/J-3544-2013; Prokes, Karel/J-5438-2013; Zapf, Vivien/K-5645-2013; Hansen, Britt/G-5821-2014; Niedermayer, Christof/K-4436-2014; Jaime, Marcelo/F-3791-2015; Kenzelmann, Michel/A-8438-2008; Batista, Cristian/J-8008-2016 OI Habicht, Klaus/0000-0002-9915-7221; Kiefer, Klaus/0000-0002-5178-0495; Prokes, Karel/0000-0002-7034-1738; Zapf, Vivien/0000-0002-8375-4515; Hansen, Britt/0000-0002-4845-1789; Jaime, Marcelo/0000-0001-5360-5220; Kenzelmann, Michel/0000-0001-7913-4826; FU US DOE Office of Basic Energy Sciences; NSF; State of Florida; Swiss National Science Foundation [PP002-102831]; CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico, Brazil) FX This work was supported by the US DOE Office of Basic Energy Sciences, the NSF, the State of Florida and the Swiss National Science Foundation under contract No PP002-102831. AP-F acknowledges support from CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico, Brazil). We thank HZB and ILL for the allocation of neutron radiation beam time. This work is partly based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institut, Villigen, Switzerland. NR 24 TC 7 Z9 7 U1 1 U2 31 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAY 29 PY 2013 VL 25 IS 21 AR 216008 DI 10.1088/0953-8984/25/21/216008 PG 12 WC Physics, Condensed Matter SC Physics GA 148QH UT WOS:000319260600016 PM 23649209 ER PT J AU Vyborny, K Mihajlovic, G Hoffmann, A Erlingsson, SI AF Vyborny, Karel Mihajlovic, Goran Hoffmann, Axel Erlingsson, Sigurdur I. TI Magnetic field dependence of non-local lateral spin-valve signals beyond the Hanle effect SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID INTERFACE RESISTANCE; MULTILAYERS; ACCUMULATION; INJECTION; TEMPERATURE; CURRENTS; CHARGE AB We present a theoretical model of spin transport in metallic lateral valves that takes into account spin scattering on magnetic impurities. We show that the model agrees with recent experimental findings of increasing non-local spin signals by in-plane magnetic field, which is parallel to the injected spins. The increase arises due to reduction of conduction electron spin flips on magnetic impurities present at the metal-ferromagnet interfaces as they freeze out under application of the magnetic field. C1 [Vyborny, Karel] ASCR, Inst Phys, Vvi, CZ-16253 Prague 6, Czech Republic. [Vyborny, Karel] SUNY Buffalo, Dept Phys, Buffalo, NY 14260 USA. [Mihajlovic, Goran; Hoffmann, Axel] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Mihajlovic, Goran] HGST, San Jose Res Ctr, San Jose, CA 95135 USA. [Erlingsson, Sigurdur I.] Reykjavik Univ, Sch Sci & Engn, IS-101 Reykjavik, Iceland. RP Vyborny, K (reprint author), ASCR, Inst Phys, Vvi, CZ-16253 Prague 6, Czech Republic. RI Vyborny, Karel/G-7307-2014; Hoffmann, Axel/A-8152-2009 OI Hoffmann, Axel/0000-0002-1808-2767 FU Icelandic Research Fund, NSF [DMR-0907150]; Czech Republic Grant [AV0Z10100521]; US Department of Energy, Office of Science, Basic Energy Science [DE-AC02-06CH11357] FX Funding from the Icelandic Research Fund, NSF DMR-0907150 and Czech Republic Grant No. AV0Z10100521 is acknowledged. Work at Argonne National Laboratory including the use of the Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, Basic Energy Science under Contract No. DE-AC02-06CH11357. NR 42 TC 0 Z9 0 U1 1 U2 40 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAY 29 PY 2013 VL 25 IS 21 AR 216007 DI 10.1088/0953-8984/25/21/216007 PG 11 WC Physics, Condensed Matter SC Physics GA 148QH UT WOS:000319260600015 PM 23649163 ER PT J AU Chapler, BC Mack, S Myers, RC Frenzel, A Pursley, BC Burch, KS Dattelbaum, AM Samarth, N Awschalom, DD Basov, DN AF Chapler, B. C. Mack, S. Myers, R. C. Frenzel, A. Pursley, B. C. Burch, K. S. Dattelbaum, A. M. Samarth, N. Awschalom, D. D. Basov, D. N. TI Ferromagnetism and infrared electrodynamics of Ga1-xMnxAs SO PHYSICAL REVIEW B LA English DT Article ID DILUTE MAGNETIC SEMICONDUCTORS; III-V-COMPOUNDS; CURIE-TEMPERATURE; OPTICAL-SPECTRA; VALENCE-BAND; PHOTOIONIZATION; IMPURITIES; ABSORPTION; ACCEPTORS; EPILAYERS AB We report on the magnetic and the electronic properties of the prototype dilute magnetic semiconductor Ga1-xMnx As using infrared (IR) spectroscopy. Trends in the ferromagnetic transition temperature T-C with respect to the IR spectral weight are examined using a sum-rule analysis of IR conductivity spectra. We find nonmonotonic behavior of trends in T-C with the spectral weight to effective Mn ratio, which suggest a strong double-exchange component to the FM mechanism, and highlights the important role of impurity states and localization at the Fermi level. Spectroscopic features of the IR conductivity are tracked as they evolve with temperature, doping, annealing, As-antisite compensation, and are found only to be consistent with a Mn-induced IB scenario. Furthermore, our detailed exploration of these spectral features demonstrates that seemingly conflicting trends reported in the literature regarding a broad mid-IR resonance with respect to carrier density in Ga1-xMnx As are in fact not contradictory. Our study thus provides a consistent experimental picture of the magnetic and electronic properties of Ga1-xMnx As. C1 [Chapler, B. C.; Frenzel, A.; Pursley, B. C.; Basov, D. N.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Mack, S.; Awschalom, D. D.] Univ Calif Santa Barbara, Ctr Spintron & Quantum Computat, Santa Barbara, CA 93106 USA. [Mack, S.] USN, Res Lab, Washington, DC 20375 USA. [Myers, R. C.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Burch, K. S.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Burch, K. S.] Univ Toronto, Inst Opt Sci, Toronto, ON M5S 1A7, Canada. [Dattelbaum, A. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Samarth, N.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. RP Chapler, BC (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RI Mack, Shawn/F-4008-2011; Myers, Roberto/B-4431-2008; Samarth, Nitin/C-4475-2014; Frenzel, Alex/E-4133-2015; OI Mack, Shawn/0000-0001-6696-0483; Myers, Roberto/0000-0002-3695-2244; Samarth, Nitin/0000-0003-2599-346X; Burch, Kenneth/0000-0002-7541-0245 FU Office of Naval Research; National Science Foundation FX Work at UCSD is supported by the Office of Naval Research. Work at UCSB is supported by the Office of Naval Research and the National Science Foundation. Parts of this work were performed at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. NR 65 TC 12 Z9 12 U1 1 U2 26 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 29 PY 2013 VL 87 IS 20 AR 205314 DI 10.1103/PhysRevB.87.205314 PG 12 WC Physics, Condensed Matter SC Physics GA 154MD UT WOS:000319678700004 ER PT J AU Liu, XH Petriello, F AF Liu, Xiaohui Petriello, Frank TI Reducing theoretical uncertainties for exclusive Higgs-boson plus one-jet production at the LHC SO PHYSICAL REVIEW D LA English DT Article ID TO-LEADING ORDER; HADRON-HADRON COLLISIONS; QCD CORRECTIONS; COLLIDERS; SEARCH AB We resum a class of large Sudakov logarithms affecting Higgs-boson production in the exclusive one-jet bin at the LHC. We extend previous results by calculating the full one-loop soft function for this process, which extends the accuracy of the resummation to include the leading three logarithmic corrections at each order in the QCD coupling constant. We match this result to the next-to-leading order cross section and present a detailed numerical study assuming realistic LHC cuts. Careful attention is paid to the matching procedure, and to the theoretical uncertainties induced by residual scale variation. We find that the matched NLL' + NLO cross section has significantly smaller uncertainties than the fixed-order result, and can be used to alleviate the theoretical errors hindering current Higgs analyses at the LHC. C1 [Liu, Xiaohui; Petriello, Frank] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Liu, Xiaohui; Petriello, Frank] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. RP Liu, XH (reprint author), Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. EM xiaohui.liu@northwestern.edu; f-petriello@northwestern.edu OI liu, xiaohui/0000-0002-7701-1205 FU U.S. Department of Energy, Division of High Energy Physics [DE-AC02-06CH11357, DE-FG02-95ER40896, DE-FG02-08ER4153] FX We thank J. Qian and G. Salam for helpful discussions. This work was supported by the U.S. Department of Energy, Division of High Energy Physics, under Contract No. DE-AC02-06CH11357 and the Grants No. DE-FG02-95ER40896 and No. DE-FG02-08ER4153. NR 54 TC 24 Z9 24 U1 0 U2 6 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 MAY 29 PY 2013 VL 87 IS 9 AR 094027 DI 10.1103/PhysRevD.87.094027 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 154MM UT WOS:000319679800002 ER PT J AU Hu, XH Yang, J Zi, J Chan, CT Ho, KM AF Hu, Xinhua Yang, Jiong Zi, Jian Chan, C. T. Ho, Kai-Ming TI Experimental Observation of Negative Effective Gravity in Water Waves SO SCIENTIFIC REPORTS LA English DT Article ID REFRACTIVE-INDEX; METAMATERIALS; PROPAGATION; ARRAY; POWER AB The gravity of Earth is responsible for the formation of water waves and usually difficult to change. Although negative effective gravity was recently predicted theoretically in water waves, it has not yet been observed in experiments and remains a mathematical curiosity which is difficult to understand. Here we experimentally demonstrate that close to the resonant frequency of purposely-designed resonating units, negative effective gravity can occur for water waves passing through an array of resonators composing of bottom-mounted split tubes, resulting in the prohibition of water wave propagation. It is found that when negative gravity occurs, the averaged displacement of water surface in a unit cell of the array has a phase difference of pi to that along the boundary of the unit cell, consistent with theoretical predictions. Our results provide a mechanism to block water waves and may find applications in wave energy conversion and coastal protection. C1 [Hu, Xinhua; Yang, Jiong] Fudan Univ, Dept Mat Sci, Key Lab Micro & Nanophoton Struct, Minist Educ, Shanghai 200433, Peoples R China. [Hu, Xinhua; Yang, Jiong] Fudan Univ, Adv Mat Lab, Shanghai 200433, Peoples R China. [Yang, Jiong; Zi, Jian] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. [Yang, Jiong; Zi, Jian] Fudan Univ, Key Lab Surface Phys, Shanghai 200433, Peoples R China. [Chan, C. T.] Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China. [Ho, Kai-Ming] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Ho, Kai-Ming] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Hu, XH (reprint author), Fudan Univ, Dept Mat Sci, Key Lab Micro & Nanophoton Struct, Minist Educ, Shanghai 200433, Peoples R China. EM huxh@fudan.edu.cn; jzi@fudan.edu.cn RI Hu, Xinhua/A-5930-2010; Zi, Jian/B-5102-2009 OI Hu, Xinhua/0000-0003-3153-7612; FU 973 Program [2011CB922004, 2012CB921604, 2013CB632701]; NSFC [11004034]; [HKUST/CRF/11G] FX This work was supported by the 973 Program (Grant Nos 2011CB922004, 2012CB921604 and 2013CB632701) and the NSFC (No. 11004034). CTC is supported by HKUST/CRF/11G. NR 42 TC 6 Z9 6 U1 2 U2 41 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD MAY 29 PY 2013 VL 3 AR 1916 DI 10.1038/srep01916 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 152TK UT WOS:000319553800003 PM 23715132 ER PT J AU Lay, EH Shao, XM Carrano, CS AF Lay, Erin H. Shao, Xuan-Min Carrano, Charles S. TI Variation in total electron content above large thunderstorms SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE ionosphere; total electron content; thunderstorm; coupling; atmospheric gravity waves ID GRAVITY-WAVES AB Total electron content (TEC) measured by Global Positioning System (GPS) receivers in the United States Great Plains is examined for three nights with large thunderstorms and for one night with little thunderstorm activity. The GPS TEC data are fit with a polynomial, and the variations are estimated by subtracting this fit from the data. We found that anomalous TEC variations are closely associated in time and space to the large underlying thunderstorms. The largest storm-related TEC variation is observed to be similar to 1.4 total electron content unit (TECU) over a typical nighttime background value of several TECUs. The variations near the storm appear to have more high-frequency content than those away from the storm, with periods of minutes to tens of minutes. No detectable localized TEC variation is observed for the thunderstorm-quiet night. C1 [Lay, Erin H.; Shao, Xuan-Min] Los Alamos Natl Lab, ISR Space & Remote Sensing 2, Los Alamos, NM 87545 USA. [Carrano, Charles S.] Boston Coll, Inst Sci Res, Boston, MA USA. RP Lay, EH (reprint author), Los Alamos Natl Lab, ISR Space & Remote Sensing 2, POB 1663, Los Alamos, NM 87545 USA. EM elay@lanl.gov OI Lay, Erin/0000-0002-1310-9035 FU Los Alamos National Laboratory's Laboratory Directed Research and Development (LDRD) project [20110184ER, 20130737ECR] FX This research was supported by the Los Alamos National Laboratory's Laboratory Directed Research and Development (LDRD) project 20110184ER and 20130737ECR. NR 19 TC 7 Z9 7 U1 2 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 28 PY 2013 VL 40 IS 10 BP 1945 EP 1949 DI 10.1002/grl.50499 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 277SS UT WOS:000328840200010 ER PT J AU Lu, CS Niu, SJ Liu, YG Vogelmann, AM AF Lu, Chunsong Niu, Shengjie Liu, Yangang Vogelmann, Andrew M. TI Empirical relationship between entrainment rate and microphysics in cumulus clouds SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE entrainment rate; cloud microphysics; entrainment mixing mechanism; cumulus; observation ID SPECTRAL EVOLUTION; PARAMETERIZATION; STRATOCUMULUS AB The relationships between fractional entrainment rate and key microphysical quantities (e.g., liquid water content, droplet number concentration, volume mean radius, and standard deviation of cloud droplet size distributions) in shallow cumuli are empirically examined using in situ aircraft observations from the Routine Atmospheric Radiation Measurement Aerial Facility Clouds with Low Optical Water Depths Optical Radiative Observations (RACORO) field campaign over the Atmospheric Radiation Measurement Southern Great Plains site. The results show that the microphysical quantities examined generally exhibit strong relationships with entrainment rate and that the relationships collectively suggest the dominance of homogeneous entrainment mixing, which is unfavorable to the formation of large droplets and the initiation of warm rain in the clouds. The dominance of the homogeneous mixing mechanism is further substantiated by the dependency on entrainment rate of relationships among various microphysical variables and of cloud droplet size distributions. The dominance of this mechanism is also quantitatively confirmed by examining the degree of homogeneous mixing in the clouds. The dominance of homogeneous mixing may be an important reason why none of the cumulus clouds studied was drizzling. C1 [Lu, Chunsong; Niu, Shengjie] Nanjing Univ Informat Sci & Technol, China Meteorol Adm, Key Lab Aerosol Cloud Precipitat, Key Lab Meteorol Disaster,Minist Educ, Nanjing 210044, Jiangsu, Peoples R China. [Lu, Chunsong; Liu, Yangang; Vogelmann, Andrew M.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Lu, CS (reprint author), Nanjing Univ Informat Sci & Technol, China Meteorol Adm, Key Lab Aerosol Cloud Precipitat, Key Lab Meteorol Disaster,Minist Educ, Room 1005,Qixiang Bldg,219,Ningliu Rd, Nanjing 210044, Jiangsu, Peoples R China. EM luchunsong110@gmail.com RI Lu, Chunsong/F-2645-2013; Vogelmann, Andrew/M-8779-2014; Liu, Yangang/H-6154-2011; Lu, Chunsong/K-7124-2013 OI Vogelmann, Andrew/0000-0003-1918-5423; Lu, Chunsong/0000-0002-8967-0371 FU Key Laboratory for Aerosol-Cloud-Precipitation of China Meteorological Administration [KDW1201]; Nanjing University of Information Science and Technology, China; Scientific Research Foundation, Nanjing University of Information Science and Technology [2012X041]; Qing-Lan Project for Cloud-Fog-Precipitation-Aerosol Study in Jiangsu Province, China; Priority Academic Program Development of Jiangsu Higher Education Institutions; U.S. Department of Energy (DOE) FX This research was supported by open funding from the Key Laboratory for Aerosol-Cloud-Precipitation of China Meteorological Administration (no. KDW1201), Nanjing University of Information Science and Technology, China, and Scientific Research Foundation (2012X041), Nanjing University of Information Science and Technology (C. Lu); by the Qing-Lan Project for Cloud-Fog-Precipitation-Aerosol Study in Jiangsu Province, China, a project funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions (C. Lu and S. Niu); and by the U.S. Department of Energy (DOE) Earth System Modeling (ESM) program via the FASTER project (www.bnl.gov/esm) and Atmospheric System Research (ASR) program (C. Lu, Y. Liu, and A. M. Vogelmann). We appreciate the helpful discussions about the RACORO data with Haf Jonsson, Greg McFarquhar, Glenn Diskin, Gunnar Senum, and Hee-Jung Yang. NR 21 TC 12 Z9 12 U1 1 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 28 PY 2013 VL 40 IS 10 BP 2333 EP 2338 DI 10.1002/grl.50445 PG 6 WC Geosciences, Multidisciplinary SC Geology GA 277SS UT WOS:000328840200080 ER PT J AU Bhaskaran-Nair, K Kowalski, K AF Bhaskaran-Nair, Kiran Kowalski, Karol TI Bridging single and multireference coupled cluster theories with universal state selective formalism SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID INCOMPLETE MODEL SPACES; WAVE-FUNCTION ANSATZ; BRILLOUIN-WIGNER; PERTURBATION-THEORY; CONFIGURATION-INTERACTION; ACTIVE-SPACE; INTERMEDIATE HAMILTONIANS; MOLECULAR APPLICATIONS; CONTINUOUS TRANSITION; EXCITATION-ENERGIES AB The universal state selective (USS) multireference approach is used to construct new energy functionals which offer a possibility of bridging single and multireference coupled cluster theories (SR/MRCC). These functionals, which can be used to develop iterative and non-iterative approaches, utilize a special form of the trial wavefunctions, which assure additive separability (or size-consistency) of the USS energies in the non-interacting subsystem limit. When the USS formalism is combined with approximate SRCC theories, the resulting formalism can be viewed as a size-consistent version of the method of moments of coupled cluster equations employing a MRCC trial wavefunction. Special cases of the USS formulations, which utilize single reference state specific CC [V. V. Ivanov, D. I. Lyakh, and L. Adamowicz, Phys. Chem. Chem. Phys. 11, 2355 (2009)] and tailored CC [T. Kinoshita, O. Hino, and R. J. Bartlett, J. Chem. Phys. 123, 074106 (2005)] expansions are also discussed. (C) 2013 AIP Publishing LLC. C1 [Bhaskaran-Nair, Kiran; Kowalski, Karol] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Bhaskaran-Nair, K (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, K8-91,POB 999, Richland, WA 99352 USA. EM karol.kowalski@pnnl.gov FU Extreme Scale Computing Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory; US Department of Energy [DE-AC06.76RLO-1830] FX This work has been supported by the Extreme Scale Computing Initiative (KBN,KK), a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory. The Pacific Northwest National Laboratory is operated for the US Department of Energy by the Battelle Memorial Institute under Contract No. DE-AC06.76RLO-1830. NR 96 TC 4 Z9 4 U1 1 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2013 VL 138 IS 20 AR 204114 DI 10.1063/1.4806768 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 160PH UT WOS:000320131100016 PM 23742461 ER PT J AU Gunaydin-Sen, O Chen, P Fosso-Tande, J Allen, TL Cherian, J Tokumoto, T Lahti, PM McGill, S Harrison, RJ Musfeldt, JL AF Guenaydin-Sen, Oe. Chen, P. Fosso-Tande, J. Allen, T. L. Cherian, J. Tokumoto, T. Lahti, P. M. McGill, S. Harrison, R. J. Musfeldt, J. L. TI Magnetoelectric coupling in 4,4 '-stilbenedinitrene SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID STRUCTURE-PROPERTY RELATIONSHIPS; TRIMETHYLENEMETHANE-TYPE BIRADICALS; DENSITY-FUNCTIONAL THEORY; OPEN-SHELL MOLECULES; TRIPLET ENERGY GAPS; QUINONOIDAL DINITRENES; CONJUGATION LENGTH; BUILDING-BLOCKS; AROMATIC AZIDES; SPIN-DENSITY AB We investigated the optical properties of 4,4'-stilbenedinitrene at low temperature and in high magnetic fields and compared the results with complementary first principles calculations. Both physical tuning parameters allow us to manipulate the singlet-triplet equilibrium, and by doing so, control the optical contrast (which is on the order of -2.5x10(2) cm(-1) at 555 nm and 35 T). Moreover, analysis of the magneto-optical response using a combined population and Beer's law framework reveals the singlet-triplet spin gap and identifies particular features in the absorption difference spectrum as deriving from singlet or triplet state excitations. These findings deepen our understanding of coupling in open shell molecules and show how chemical structure modification can modulate charge-spin interactions in organic biradicals. (C) 2013 AIP Publishing LLC. C1 [Guenaydin-Sen, Oe.; Chen, P.; Fosso-Tande, J.; Harrison, R. J.; Musfeldt, J. L.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Allen, T. L.; Lahti, P. M.] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. [Cherian, J.; Tokumoto, T.; McGill, S.] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Harrison, R. J.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Musfeldt, JL (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM musfeldt@utk.edu FU NSF; DOE; State of Florida FX This work was supported by the NSF (UT, UM, NHMFL), the DOE (NHMFL), and the State of Florida (NHMFL). NR 46 TC 4 Z9 4 U1 3 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2013 VL 138 IS 20 AR 204716 DI 10.1063/1.4807053 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 160PH UT WOS:000320131100064 PM 23742509 ER PT J AU Kershis, MD Wilson, DP White, MG AF Kershis, Matthew D. Wilson, Daniel P. White, Michael G. TI Dynamics of acetone photooxidation on TiO2(110): State-resolved measurements of methyl photoproducts SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MULTIPHOTON IONIZATION SPECTROSCOPY; RUTILE TIO2(110); PHOTODISSOCIATION DYNAMICS; O-2 PHOTODESORPTION; SURFACE; TIO2; CH3I; PHOTOCHEMISTRY; DISTRIBUTIONS; DISSOCIATION AB State-resolved laser techniques were used to study the internal state distributions of gas phase methyl radicals which are produced during the photooxidation of acetone on TiO2(110). This approach was used as a means of understanding the nature of the bimodal kinetic energy distributions for these radicals. Specifically, we investigated the population of the nu(2) "umbrella mode" which has been shown to be important in similar photodissociation reactions where methyl radicals are liberated. We observed that for methyl radicals undergoing prompt dissociation (E-K = 0.15 eV), the vibrational population in the umbrella mode is quite cold and can be characterized by a T-vib = 151 +/- 15 K. Methyl radicals in this channel were also characterized by a rotational energy distribution of T-rot = 325 +/- 25 K which is comparable to the gas phase value obtained by acetone photolysis. State-resolved energy distributions also show that methyl radicals which are vibrationally excited have an overall kinetic energy distribution which is similar to 35 meV less than those which are in their vibrational ground state. This value is comparable to, but not exactly in agreement with, the known vibrational spacing of the nu(2) mode and suggests that vibrationally excited methyl radicals have less energy available for translation. (C) 2013 AIP Publishing LLC. C1 [Kershis, Matthew D.; Wilson, Daniel P.; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [White, Michael G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP White, MG (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM mgwhite@bnl.gov RI Kershis, Matthew/K-4219-2016 OI Kershis, Matthew/0000-0002-8777-7976 FU U.S. Department of Energy (DOE) (Division of Chemical Sciences) [DE-AC02-98CH10086] FX The authors would like to thank Dr. Colin Western for helpful discussions regarding PGOPHER simulations. This work was carried out in the Chemistry Department at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10086 with the U.S. Department of Energy (DOE) (Division of Chemical Sciences). NR 36 TC 3 Z9 3 U1 3 U2 42 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2013 VL 138 IS 20 AR 204703 DI 10.1063/1.4805065 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 160PH UT WOS:000320131100051 PM 23742496 ER PT J AU Chan, YK Van Nostrand, JD Zhou, JZ Pointing, SB Farrell, RL AF Chan, Yuki Van Nostrand, Joy D. Zhou, Jizhong Pointing, Stephen B. Farrell, Roberta L. TI Functional ecology of an Antarctic Dry Valley SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article ID SOUTHERN VICTORIA LAND; SEA OIL PLUME; MICROBIAL COMMUNITIES; METAGENOMIC ANALYSIS; SOIL-MICROORGANISMS; POLAR DESERT; NITROGEN; DIVERSITY; GENES; HOT AB The McMurdo Dry Valleys are the largest ice-free region in Antarctica and are critically at risk from climate change. The terrestrial landscape is dominated by oligotrophic mineral soils and extensive exposed rocky surfaces where biota are largely restricted to microbial communities, although their ability to perform the majority of geobiological processes has remained largely uncharacterized. Here, we identified functional traits that drive microbial survival and community assembly, using a metagenomic approach with GeoChip-based functional gene arrays to establish metabolic capabilities in communities inhabiting soil and rock surface niches in McKelvey Valley. Major pathways in primary metabolism were identified, indicating significant plasticity in autotrophic, heterotrophic, and diazotrophic strategies supporting microbial communities. This represents a major advance beyond biodiversity surveys in that we have now identified how putative functional ecology drives microbial community assembly. Significant differences were apparent between open soil, hypolithic, chasmoendolithic, and cryptoendolithic communities. A suite of previously unappreciated Antarctic microbial stress response pathways, thermal, osmotic, and nutrient limitation responses were identified and related to environmental stressors, offering tangible clues to the mechanisms behind the enduring success of microorganisms in this seemingly inhospitable terrain. Rocky substrates exposed to larger fluctuations in environmental stress supported greater functional diversity in stress-response pathways than soils. Soils comprised a unique reservoir of genes involved in transformation of organic hydrocarbons and lignin-like degradative pathways. This has major implications for the evolutionary origin of the organisms, turnover of recalcitrant substrates in Antarctic soils, and predicting future responses to anthropogenic pollution. C1 [Chan, Yuki; Pointing, Stephen B.] Auckland Univ Technol, Sch Appl Sci, Inst Appl Ecol New Zealand, Auckland 1142, New Zealand. [Chan, Yuki] Hong Kong Baptist Univ, Dept Biol, Kowloon Tong 8523, Hong Kong, Peoples R China. [Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Farrell, Roberta L.] Univ Waikato, Dept Biol Sci, Hamilton 3240, New Zealand. RP Pointing, SB (reprint author), Auckland Univ Technol, Sch Appl Sci, Inst Appl Ecol New Zealand, Auckland 1142, New Zealand. EM steve.pointing@aut.ac.nz RI Van Nostrand, Joy/F-1740-2016; OI Van Nostrand, Joy/0000-0001-9548-6450; Chan, Yuki/0000-0002-9570-5462 FU University of Waikato; Institute for Applied Ecology at Auckland University of Technology; Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA) through the US Department of Energy [DE-AC02-05CH11231]; US Department of Energy [DE-SC0004601]; US National Science Foundation [EF-1065844] FX We thank Dr. Yuan Tong for GeoChip hybridization and Brett Arenz, Joel Jurgens, and Maggie C. Y. Lau for field assistance in McKelvey Valley and helpful discussions. We also thank Jackie Aislabie, Robert Blanchette, Megan Balks, and Louis Schipper for helpful discussions. We acknowledge financial support from the Vice Chancellor's Fund of the University of Waikato and the Institute for Applied Ecology at Auckland University of Technology. Logistical and field support was provided by Antarctica New Zealand. The development of the GeoChips and associated computational pipelines used in this study was supported by Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA) through the US Department of Energy (DE-AC02-05CH11231). J. Zhou and J. D. Van Nostrand's efforts were supported by the US Department of Energy (DE-SC0004601) and the US National Science Foundation (EF-1065844). NR 67 TC 50 Z9 50 U1 9 U2 115 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 28 PY 2013 VL 110 IS 22 BP 8990 EP 8995 DI 10.1073/pnas.1300643110 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 165RC UT WOS:000320500000062 PM 23671121 ER PT J AU Kauwe, G Isacoff, EY AF Kauwe, Grant Isacoff, Ehud Y. TI Rapid feedback regulation of synaptic efficacy during high-frequency activity at the Drosophila larval neuromuscular junction SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE optogenetics ID GLUTAMATE-RECEPTOR SUBUNIT; RELEASE PROBABILITY; PRESYNAPTIC RELEASE; VESICLE POOLS; MOTOR AXONS; PLASTICITY; SYNAPSES; TRANSMISSION; MELANOGASTER; MECHANISMS AB High-frequency firing of neurons depresses transmitter release at many synapses. At the glutamatergic synapse of the Drosophila larval neuromuscular junction, we find that presynaptic depression is modulated by postsynaptic ionotropic glutamate receptor (iGluR) activity. Although basal release at low frequency was insensitive to postsynaptic iGluR activity, recovery from depression elicited by high-frequency presynaptic trains decreased with partial block of native iGluRs. Moreover, recovery from depression increased with optical activation of the light-gated mammalian iGluR6 (LiGluR) expressed postsynaptically. The enhancement of recovery from depression occurred within 2 min of optical activation of LiGluR and persisted for minutes after optical deactivation. This effect depended on cAMP-dependent presynaptic recruitment of vesicles from the reserve pool. Our findings reveal a unique dimension to postsynaptic iGluR activity: fast retrograde signaling that preserves transmission efficacy during high-frequency presynaptic firing. C1 [Kauwe, Grant; Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Mol & Cellular Biol, Berkeley, CA 94720 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Isacoff, EY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. EM ehud@berkeley.edu FU National Science Foundation [FIBR 0623527]; National Institutes of Health Nanomedicine Development Center for the Optical Control of Biological Function Grant [2PN2EY018241] FX We thank Dirk Trauner for MAG and Pejmun Haghighi for the CaMKII(Ala) line; Gautam Agarwal for assistance in cloning LiGluR; and Einat Peled, Robin Ball, Zachary Newmann, the rest of the E.Y.I. laboratory, and Tara Tracy for helpful discussion. This work was supported by National Science Foundation GRANT FIBR 0623527) and the National Institutes of Health Nanomedicine Development Center for the Optical Control of Biological Function Grant 2PN2EY018241). NR 51 TC 9 Z9 9 U1 3 U2 8 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 28 PY 2013 VL 110 IS 22 BP 9142 EP 9147 DI 10.1073/pnas.1221314110 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 165RC UT WOS:000320500000088 PM 23674684 ER PT J AU Holt, AP Sangoro, JR Wang, YY Agapov, AL Sokolov, AP AF Holt, Adam P. Sangoro, Joshua R. Wang, Yangyang Agapov, Alexander L. Sokolov, Alexei P. TI Chain and Segmental Dynamics of Poly(2-vinylpyridine) Nanocomposites SO MACROMOLECULES LA English DT Article ID ULTRATHIN POLYMER-FILMS; GLASS-TRANSITION TEMPERATURE; DIELECTRIC-SPECTROSCOPY; IMMOBILIZED POLYMER; HYDROGEN-BOND; ELECTROLYTES; CONFINEMENT; COMPOSITES; RELAXATION; NANOPARTICLES AB The influence of different oxide nanoparticles on segmental and chain dynamics of poly(2-vinylpyridine) is investigated by broadband dielectric spectroscopy (BDS), dynamic mechanical measurements, and calorimetry. While significant changes in rheological properties are observed with increasing nanoparticle loading, only weak effects are found in the glass transition temperature, the segmental mobility, and fragility. These results are discussed in the context of recent controversies in studies of polymer nanocomposites and polymer thin films. C1 [Holt, Adam P.; Sokolov, Alexei P.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Sangoro, Joshua R.; Wang, Yangyang; Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Agapov, Alexander L.; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Sangoro, JR (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jsangoro@utk.edu RI Wang, Yangyang/A-5925-2010; Sangoro, Joshua/A-6573-2011 OI Wang, Yangyang/0000-0001-7042-9804; Sangoro, Joshua/0000-0002-5483-9528 FU Division of Materials Sciences and Engineering, DOE Office of Basic Energy Sciences; NSF [DMR-1104824] FX This work was sponsored by the Division of Materials Sciences and Engineering, DOE Office of Basic Energy Sciences. A.P.H. and A.L.A. thank NSF Polymer program (DMR-1104824) for partial financial support. NR 41 TC 25 Z9 25 U1 5 U2 79 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD MAY 28 PY 2013 VL 46 IS 10 BP 4168 EP 4173 DI 10.1021/ma400418b PG 6 WC Polymer Science SC Polymer Science GA 156BQ UT WOS:000319795800051 ER PT J AU Kjaergaard, CH Qayyum, MF Augustine, AJ Ziegler, L Kosman, DJ Hodgson, KO Hedman, B Solomon, EI AF Kjaergaard, Christian H. Qayyum, Munzarin F. Augustine, Anthony J. Ziegler, Lynn Kosman, Daniel J. Hodgson, Keith O. Hedman, Britt Solomon, Edward I. TI Modified Reactivity toward O-2 in First Shell Variants of Fet3p: Geometric and Electronic Structure Requirements for a Functioning Trinuclear Copper Cluster SO BIOCHEMISTRY LA English DT Article ID RAY ABSORPTION-EDGE; O-O BOND; MULTICOPPER OXIDASES; ACTIVE-SITE; REDUCTIVE CLEAVAGE; SPECTRAL FEATURES; CU CLUSTER; LACCASE; INTERMEDIATE; OXYGEN AB Multicopper oxidases (MCOs) carry out the most energy efficient reduction of O-2 to H2O known, i.e., with the lowest overpotential. This four-electron process requires an electron mediating type 1 (T1) Cu site and an oxygen reducing trinuclear Cu cluster (TNC), consisting of a binuclear type 3 (T3)- and a mononuclear type 2 (T2) Cu center. The rate-determining step in O-2 reduction is the first two-electron transfer from one of the T3 Cu's (T3 beta) and the T2 Cu, forming a bridged peroxide intermediate (PI). This reaction has been investigated in T3 beta Cu variants of the Fet3p, where a first shell His ligand is mutated to Glu or Gin. This converts the fast two-electron reaction of the wild-type (WT) enzyme to a slow one-electron oxidation of the TNC. Both variants initially react to form a common T3 beta Cu(II) intermediate that converts to the Glu or Gln bound resting state. From spectroscopic evaluation, the nonmutated His ligands coordinate linearly to the T3 beta Cu in the reduced TNCs in the two variants, in contrast to the trigonal arrangement observed in the WT enzyme. This structural perturbation is found to significantly alter the electronic structure of the reduced TNC, which is no longer capable of rapidly transferring two electrons to the two perpendicular half occupied pi*-orbitals of O-2, in contrast to the WT enzyme. This study provides new insight into the geometric and electronic structure requirements of a fully functional TNC for the rate determining two-electron reduction of O-2 in the MCOs. C1 [Kjaergaard, Christian H.; Qayyum, Munzarin F.; Augustine, Anthony J.; Hodgson, Keith O.; Solomon, Edward I.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.] Stanford Univ, SLAC, Synchrotron Radiat Lightsource, Stanford, CA 94309 USA. [Ziegler, Lynn; Kosman, Daniel J.] SUNY Buffalo, Dept Biochem, Sch Med & Biomed Sci, Buffalo, NY 14214 USA. RP Kosman, DJ (reprint author), SUNY Buffalo, Dept Biochem, Sch Med & Biomed Sci, Buffalo, NY 14214 USA. EM camkos@buffalo.edu; Edward.Solomon@stanford.edu FU NIH [DK-31450, DK53820, RR-001209]; DOE Office of Biological and Environmental Research; National Institutes of Health, National Center for Research Resources, Biomedical Technology Program FX This research was supported by NIH Grants DK-31450 (to E.I.S.), DK53820 (to D.J.K), and RR-001209 (to K.O.H). Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program. C.H.K. is a Stanford Graduate Fellow. NR 39 TC 4 Z9 4 U1 0 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 28 PY 2013 VL 52 IS 21 BP 3702 EP 3711 DI 10.1021/bi4002826 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 156BN UT WOS:000319795500012 PM 23631422 ER PT J AU Gerlits, O Waltman, MJ Taylor, S Langan, P Kovalevsky, A AF Gerlits, Oksana Waltman, Mary Jo Taylor, Susan Langan, Paul Kovalevsky, Andrey TI Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20 SO BIOCHEMISTRY LA English DT Article ID ACTIVE-SITE; MECHANISM; DYNAMICS; SUBUNIT; STATE; ATP; SPECTROSCOPY; NUCLEOTIDE; INHIBITORS; MODEL AB X-ray structures of several ternary substrate and product complexes of the catalytic subunit of cAMP-dependent protein kinase (Mac) have been determined with different bound metal ions. In the PKAc complexes, Mg2+, Ca2+, Sr2+, and Ba2+ metal ions could bind to the active site and facilitate the phosphoryl transfer reaction. ATP and a substrate peptide (SP20) were modified, and the reaction products ADP and the phosphorylated peptide were found trapped in the enzyme active site Finally, we determined the structure of a pseudo-Michaelis complex containing Mg2+, nonhydrolyzable AMP-PCP (beta,gamma-methyleneadenosine 5'-triphosphate) and SP20. The product structures together with the pseudo-Michaelis complex provide snapshots of different stages of the phosphorylation reaction. Comparison of these structures reveals conformational, coordination, and hydrogen bonding changes that might occur during the reaction and shed new light on its mechanism, roles of metals, and active site residues C1 [Gerlits, Oksana; Waltman, Mary Jo] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87544 USA. [Taylor, Susan] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. [Taylor, Susan] Univ Calif San Diego, Dept Pharmacol, La Jolla, CA 92093 USA. [Langan, Paul; Kovalevsky, Andrey] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. RP Kovalevsky, A (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. EM kovalevskyay@ornl.gov RI Langan, Paul/N-5237-2015; OI Langan, Paul/0000-0002-0247-3122; Kovalevsky, Andrey/0000-0003-4459-9142 FU UCOP; DOE-OBER; DOE-BES; National Institute of General Medical Sciences [1R01GM071939-01]; National Institutes of Health [GM19301] FX O.G., S.T., and A.K. were partly supported by a UCOP grant. A.K., M.J.W., and O.G. were partly supported by a DOE-OBER grant to the neutron Protein Crystallography Station at LANSCE. A.Y.K. and P.L. were partly supported by DOE-BES. P.L. was partly supported by a National Institute of General Medical Sciences-funded consortium (1R01GM071939-01) between Oak Ridge National Laboratory and Lawrence Berkeley National Laboratory to develop computational tools for neutron protein crystallography. S.T. was also supported by National Institutes of Health Grant GM19301. NR 37 TC 15 Z9 15 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 28 PY 2013 VL 52 IS 21 BP 3721 EP 3727 DI 10.1021/bi400066a PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 156BN UT WOS:000319795500014 PM 23672593 ER PT J AU Michaelides, M Miller, ML Subrize, M Kim, R Robison, L Hurd, YL Wang, GJ Volkow, ND Thanos, PK AF Michaelides, Michael Miller, Michael L. Subrize, Mike Kim, Ronald Robison, Lisa Hurd, Yasmin L. Wang, Gene-Jack Volkow, Nora D. Thanos, Panayotis K. TI Limbic activation to novel versus familiar food cues predicts food preference and alcohol intake SO BRAIN RESEARCH LA English DT Article DE Behavioral imaging; Positron emission tomography; Neuroimaging; Craving; Reward; Rat ID BRAIN GLUCOSE-METABOLISM; MATERNAL SEPARATION; INCENTIVE SALIENCE; ETHANOL INTAKE; WISTAR RATS; EXPECTATION; COCAINE; REGIONS; OBESITY AB Expectation of salient rewards and novelty seeking are processes implicated in substance use disorders but the neurobiological substrates underlying these associations are not well understood. To better understand the regional circuitry of novelty and reward preference, rats were conditioned to pair unique cues with bacon, an initially novel food, or chow, a familiar food. In the same animals, after training, cue-induced brain activity was measured, and the relationships between activity and preference for three rewards, the conditioned foods and ethanol (EtOH), were separately determined. Activity in response to the food paired cues was measured using brain glucose metabolism (BGluM). Rats favoring bacon-paired (BAP) cues had increased BGluM in mesocorticolimbic brain regions after exposure to these cues, while rats favoring chow-paired (CHP) cues showed relative deactivation in these regions. Rats exhibiting BAP cue-induced activation in prefrontal cortex (PFC) also consumed more EtOH while rats with cortical activation in response to CHP cues showed lower EtOH consumption. Additionally, long-term stable expression levels of PFC Grin2a, a subunit of the NMDA receptor, correlated with individual differences in EtOH preference insomuch that rats with high EtOH preference had enduringly low PFC Grin2a mRNA expression. No other glutamatergic, dopaminergic or endocannabinoid genes studied showed this relationship. Overall, these results suggest that natural variation in mesocorticolimbic sensitivity to reward-paired cues underlies behavioral preferences for and vulnerability to alcohol abuse, and support the notion of common neuronal circuits involved in food- and drug-seeking behavior. The findings also provide evidence that PFC NMDA-mediated glutamate signaling may modulate these associations. Published by Elsevier B.V. C1 [Michaelides, Michael; Hurd, Yasmin L.] Icahn Sch Med Mt Sinai, Dept Pharmacol & Syst Therapeut, New York, NY 10029 USA. [Miller, Michael L.; Hurd, Yasmin L.] Icahn Sch Med Mt Sinai, Fishberg Dept Neurosci, New York, NY 10029 USA. [Hurd, Yasmin L.; Wang, Gene-Jack] Icahn Sch Med Mt Sinai, Dept Psychiat, New York, NY 10029 USA. [Michaelides, Michael; Subrize, Mike; Kim, Ronald; Robison, Lisa; Wang, Gene-Jack; Thanos, Panayotis K.] Brookhaven Natl Lab, Dept Med, Behav Neuropharmacol Lab, Upton, NY 11973 USA. [Volkow, Nora D.; Thanos, Panayotis K.] NIAAA, Lab Neuroimaging, NIH, Dept Hlth & Human Serv, Bethesda, MD 20892 USA. RP Thanos, PK (reprint author), Brookhaven Natl Lab, Dept Med, Behav Neuropharmacol Lab, Bldg 490, Upton, NY 11973 USA. EM thanos@bnl.gov RI Michaelides, Michael/K-4736-2013; OI Michaelides, Michael/0000-0003-0398-4917; Miller, Michael/0000-0002-6350-5706 FU NIAAA [AA 11034, AA07574, AA07611]; T32 NIDA Training grant at Mount Sinai School of Medicine [5T32DA007135] FX This work was supported by the NIAAA (AA 11034, AA07574, and AA07611). MM was supported by the T32 NIDA Training grant (5T32DA007135) at Mount Sinai School of Medicine. NR 26 TC 3 Z9 3 U1 0 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0006-8993 J9 BRAIN RES JI Brain Res. PD MAY 28 PY 2013 VL 1512 BP 37 EP 44 DI 10.1016/j.brainres.2013.03.006 PG 8 WC Neurosciences SC Neurosciences & Neurology GA 160AG UT WOS:000320087800004 PM 23506787 ER PT J AU Noh, HJ Chen, ZH Yoon, CS Lu, J Amine, K Sun, YK AF Noh, Hyung-Joo Chen, Zonghai Yoon, Chong S. Lu, Jun Amine, Khalil Sun, Yang-Kook TI Cathode Material with Nanorod Structure-An Application for Advanced High-Energy and Safe Lithium Batteries SO CHEMISTRY OF MATERIALS LA English DT Article DE coprecipitation; nanorod; concentration gradient; cathode; lithium batteries ID LI-ION BATTERIES; ELEVATED-TEMPERATURE; PERFORMANCE; CELLS; CHALLENGES; MN AB We have developed a novel cathode material based on lithium-nickel-manganese-cobalt oxide, where the manganese concentration remains constant throughout the particle, while the nickel concentration decreases linearly and the cobalt concentration increases from the center to the outer surface of the particle. This full concentration gradient material with a fixed manganese composition (FCG-Mn-F) has an average composition of Li[Ni0.60Co0.15Mn0.25]O-2 and is composed of rod-shaped primary particles whose length reaches 2.5 mu m, growing in the radial direction. In cell tests, the FCG-Mn-F material delivered a high capacity of 206 mAh g(-1) with excellent capacity retention of 70.3% after 1000 cycles at 55 degrees C. This cathode material also exhibited outstanding rate capability, good low-temperature performance, and excellent safety, compared to a conventional cathode having the same composition (Li[Ni0.60Co0.15Mn0.25]O-2), where the concentration of the metals is constant across the particles. C1 [Noh, Hyung-Joo; Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. [Chen, Zonghai; Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Yoon, Chong S.] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea. RP Amine, K (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM amine@anl.gov; yksun@hanyang.ac.kr RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013 FU Human Resources Development program of the Korea Institute of Energy Technology Evaluation of Planning (KETEP) grant [20124010203310]; Korea Government Ministry of Trade, Industry and Energy; National Research Foundation of Korea (NRF) grant; Korea Government (MEST) [2009-0092780]; Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program; DOE [DE-AC05-06OR23100]; U.S. Department of Energy; FreedomCAR; Vehicle Technologies Office; U.S. Department of Energy [DE-AC02-06CH11357] FX This research was supported by the Human Resources Development program (No. 20124010203310) of the Korea Institute of Energy Technology Evaluation of Planning (KETEP) grant, funded by the Korea Government Ministry of Trade, Industry and Energy and the National Research Foundation of Korea (NRF) grant, funded by the Korea Government (MEST) (No. 2009-0092780). J. Lu was supported by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Vehicles Technology Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE. ORISE is managed by Oak Ridge Associated Universities (ORAU) under DOE contract number DE-AC05-06OR23100. Research at Argonne National Laboratory was funded by U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under Contract No. DE-AC02-06CH11357. NR 24 TC 38 Z9 39 U1 16 U2 132 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 28 PY 2013 VL 25 IS 10 BP 2109 EP 2115 DI 10.1021/cm4006772 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 156XA UT WOS:000319856000014 ER PT J AU Mertz, JL Fard, ZH Malliakas, CD Manos, MJ Kanatzidis, MG AF Mertz, Joshua L. Fard, Zohreh Hassanzadeh Malliakas, Christos D. Manos, Manolis J. Kanatzidis, Mercouri G. TI Selective Removal of Cs+, Sr2+, and Ni2+ by K2xMgxSn3-xS6 (x=0.5-1) (KMS-2) Relevant to Nuclear Waste Remediation SO CHEMISTRY OF MATERIALS LA English DT Article DE absorption; ion-exchange; cesium; strontium; chalcogenide; nuclear waste; radioactive waste; waste management ID LAYERED METAL SULFIDES; ACIDIC RADIOACTIVE-WASTE; EXTRACTION UNEX PROCESS; CESIUM; STRONTIUM; SOLVENT; WATER; CHALCOGENIDES; SEPARATION; ACTINIDES AB Cs-137 and Sr-90, both byproducts of the uranium and plutonium fission processes, make up the majority of high-level waste from nuclear power plants. Ni-63 is a byproduct of the erosion-corrosion process of the reactor components in nuclear energy plants. The concentrations of these ions in solution determine the Waste Class (A, B, or C); thus, their selective removal in the presence of large excesses of nonradioactive ions is necessary to reduce waste volume and cut disposal costs. We report the new material K2xMgxSn3-xS6 (x = 0.5-1, KMS-2) and its application for the ion exchange of Cs+, Sr2+, and Ni2+ in varying conditions. This compound crystallizes in the hexagonal space group P6(3)/mmc with cell parameters a = b = 3.6749(8) angstrom and c = 16.827(4) angstrom. The difference in crystal structure between KMS-2, the previously reported Mn analog K2xMnxSn3-xS6 (KMS-1), and their parent SnS2 is also described. Distribution coefficients for KMS-2 are high for Cs+ (7.1 x 10(3) mL/g) and Sr2+ (2.1 x 10(4) mL/g) at neutral pH (similar to 6 ppm, V/m similar to 1000 mL/g). We also report on the comparative study of Ni2+ ion exchange with both KMS-1 and KMS-2. Additional competitive reactions using Cs+, Sr2+, and Ni2+ in high concentrations of salt solution and at different pH values are reported. C1 [Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu RI Manos, Emmanouil/F-3442-2014 OI Manos, Emmanouil/0000-0001-7645-5560 FU National Science Foundation [DMR-1104965]; NEUP program of DOE; Department of Energy [DE-FG02- 00ER45810/A001]; National Science Foundation/Department of Energy [NSF/CHE-0822838]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by a National Science Foundation Grant DMR-1104965 (synthesis and characterization of KMS) and NEUP program of DOE (competitive reactions and ion-exchange chemistry with Cs+, Sr2+, and Ni2+). A portion of this work was completed at the Northwestern University Integrated Molecular Structure Education and Research Center. A description of the facility and full funding disclosure can be found at http://pyrite.chem.northwestern.edu/analyticalserviceslab/asl.htm. This work made use of the Electron Probe Instrumentation Center at Northwestern University and was funded by a Department of Energy Grant (DE-FG02- 00ER45810/A001). ChemMatCARS Sector 15 is principally supported by the National Science Foundation/Department of Energy under grant number NSF/CHE-0822838. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 36 TC 43 Z9 43 U1 15 U2 130 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 28 PY 2013 VL 25 IS 10 BP 2116 EP 2127 DI 10.1021/cm400699r PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 156XA UT WOS:000319856000015 ER PT J AU Savkliyildiz, I Akdogan, EK Zhong, Z Wang, L Weidner, D Vaughan, M Croft, MC Tsakalakos, T AF Savkliyildiz, I. Akdogan, E. K. Zhong, Z. Wang, L. Weidner, D. Vaughan, M. Croft, M. C. Tsakalakos, T. TI Phase transformations in hypereutectic MgO-Y2O3 nanocomposites at 5.5 GPa SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID HIGH-PRESSURE; MGO; YTTRIA; DEFORMATION; ENERGETICS; APPARATUS; EQUATION; STATE; OXIDE AB Hypereutectic 0.8MgO-0.2Y(2)O(3) nanocomposites were studied using high pressure and high temperature in situ synchrotron energy dispersive x-ray diffractometry at 5.5 GPa and 1273 K. Polymorphic transformations in the Y2O3 phase, which resulted in a quadruple phase equilibria among cubic, hexagonal, and monoclinic phases with cubic MgO, were observed at 298 K under 5.5 GPa-a pressure much smaller than the pressures at which polymorphic transitions in macroscopic Y2O3. Time-resolved diffractometry at (1273 K, 5.5 GPa, 120 min) revealed a 0.87% expansive volumetric lattice strain in MgO, and is attributed to solid solution formation with Y2O3 which is otherwise absent at ambient conditions. The residual MgO unit cell volume expansion is 0.69% at 298 K, which is indicative that yttrium remained in solid solution. The macroscopic shrinkage due to densification at (1273 K, 5.5 GPa, 120 min) is 3.45% by volume. The partial molar volume of Y3+ in the solid solution is smaller than its molar volume in the pure state per thermodynamic considerations. The importance of repulsion among O2- ions in the immediate vicinity of a Mg2+ vacancy as well as misfit strain due to differences in ionic radii upon Y3+ substitution on Mg2+ sites is presented. A self-consistent model and explanation for the observed concomitant occurrence of cubic -> monoclinic and cubic -> hexagonal polymorphic transitions in Y2O3 and their stabilization at room temperature is proposed. (C) 2013 AIP Publishing LLC. C1 [Savkliyildiz, I.; Akdogan, E. K.; Tsakalakos, T.] Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA. [Zhong, Z.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Wang, L.] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Weidner, D.; Vaughan, M.] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Croft, M. C.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Savkliyildiz, I (reprint author), Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA. EM ilyas@eden.rutgers.edu FU Office of Naval Research (ONR) [N00014-10-1-042]; COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF [EAR 06-49658]; U.S. Department of Energy, Division of Material Sciences and Division of Chemical Sciences [DE-AC02-76CH00016] FX This study was sponsored by the Office of Naval Research (ONR) under Contract No. N00014-10-1-042 for which the authors are grateful. The authors wish to thank Dr. L. Kabacoff of the ONR for his valuable technical feedback and support to this project. This research was partially supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement No. EAR 06-49658. This research was carried out in part at the NSLS, which is supported by the U.S. Department of Energy, Division of Material Sciences and Division of Chemical Sciences under Contract No. DE-AC02-76CH00016. NR 36 TC 0 Z9 0 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2013 VL 113 IS 20 AR 203520 DI 10.1063/1.4807913 PG 6 WC Physics, Applied SC Physics GA 160PR UT WOS:000320132100032 ER PT J AU Singh, DJ AF Singh, David J. TI Optical properties of cubic and rhombohedral GeTe SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PHASE-CHANGE MATERIALS; BAND-STRUCTURE; ELECTRICAL-PROPERTIES; CRYSTAL-STRUCTURE; MEMORY MATERIALS; SNTE; FERROELECTRICS; TRANSITION; GE2SB2TE5; PBTE AB Calculations of the optical properties of GeTe in the cubic NaCl and rhombohedral ferroelectric structures are reported. The rhombohedral ferroelectric distortion increases the band gap from 0.11 eV to 0.38 eV. Remarkably, substantial changes in optical properties are found even at high energies up to 5 eV. The results are discussed in relation to the bonding of GeTe and to phase change materials based on it. (C) 2013 AIP Publishing LLC. C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Singh, DJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. FU Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX I am grateful for helpful discussions with R. O. Jones and S. R. Elliott. Work at ORNL was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 58 TC 6 Z9 6 U1 1 U2 76 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2013 VL 113 IS 20 AR 203101 DI 10.1063/1.4807638 PG 5 WC Physics, Applied SC Physics GA 160PR UT WOS:000320132100001 ER PT J AU Damski, B AF Damski, Bogdan TI Fidelity susceptibility of the quantum Ising model in a transverse field: The exact solution SO PHYSICAL REVIEW E LA English DT Article ID PHASE-TRANSITION; MOTT INSULATOR; DYNAMICS; SYSTEMS; GASES; ATOMS AB We derive an exact closed-form expression for fidelity susceptibility of the quantum Ising model in the transverse field. We also establish an exact one-to-one correspondence between fidelity susceptibility in the ferromagnetic and paramagnetic phases of this model. Elegant summation formulas are obtained as a by-product of these studies. C1 [Damski, Bogdan] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Damski, Bogdan] Jagiellonian Univ, Inst Phys, PL-30059 Krakow, Poland. RP Damski, B (reprint author), Los Alamos Natl Lab, Div Theoret, MS B213, Los Alamos, NM 87545 USA. RI Damski, Bogdan/E-3027-2013 FU US Department of Energy; Polish National Science Center [DEC-2011/01/B/ST3/00512] FX I thank Adolfo del Campo for several useful suggestions and Marek Rams for deep insights about the duality symmetry. This work is supported by US Department of Energy through the LANL/LDRD Program and the Polish National Science Center Grant No. DEC-2011/01/B/ST3/00512. NR 39 TC 15 Z9 15 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD MAY 28 PY 2013 VL 87 IS 5 AR 052131 DI 10.1103/PhysRevE.87.052131 PG 6 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 154FZ UT WOS:000319658900002 PM 23767511 ER PT J AU Slaughter, DS Haxton, DJ Adaniya, H Weber, T Rescigno, TN McCurdy, CW Belkacem, A AF Slaughter, D. S. Haxton, D. J. Adaniya, H. Weber, T. Rescigno, T. N. McCurdy, C. W. Belkacem, A. TI Ion-momentum imaging of resonant dissociative-electron-attachment dynamics in methanol SO PHYSICAL REVIEW A LA English DT Article ID PROGRAM SYSTEM; BASIS-SETS; ENERGY; CHEMISTRY; COLUMBUS; GAS; METHOXIDE; ALCOHOLS; ANIONS; STATES AB A combined experimental and theoretical investigation of the dissociative-electron-attachment (DEA) dynamics in methanol are presented for the Feshbach resonance at 6.5-eV incident electron energy. Highly differential laboratory-frame momentum distributions have been measured for each fragmentation channel using a DEA reaction microscope. These measurements are combined with calculations of the molecular-frame electron attachment probability in order to investigate the dynamics of the dissociating methanol transient negative anion. In contrast to previous comparisons between water and methanol [Curtis and Walker, J. Chem. Soc., Faraday Trans. 88, 2805 (1992); Prabhudesai, Nandi, Kelkar, and Krishnakumar, J. Chem. Phys. 128, 154309 (2008)], we find subtle differences in the dissociation dynamics of the two fragment channels that are direct evidence of planar symmetry-breaking of warm methanol in its electronic ground state. We also find that the DEA fragmentation does not strictly follow the axial recoil approximation and we describe the dynamics that enable an accurate prediction of the fragment angular distributions. C1 [Slaughter, D. S.; Haxton, D. J.; Adaniya, H.; Weber, T.; Rescigno, T. N.; McCurdy, C. W.; Belkacem, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McCurdy, C. W.] Univ Calif Davis, Dept Chem & Appl Sci, Davis, CA 95616 USA. RP Slaughter, DS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM DSSlaughter@lbl.gov RI Weber, Thorsten/K-2586-2013; OI Weber, Thorsten/0000-0003-3756-2704; Slaughter, Daniel/0000-0002-4621-4552 FU Division of Chemical Sciences, Geosciences, and Biosciences of the US Department of Energy at LBNL [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, and by the Division of Chemical Sciences, Geosciences, and Biosciences of the US Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. NR 38 TC 8 Z9 8 U1 1 U2 26 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD MAY 28 PY 2013 VL 87 IS 5 AR 052711 DI 10.1103/PhysRevA.87.052711 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 153QK UT WOS:000319617300010 ER PT J AU Akhanjee, S Tsvelik, AM AF Akhanjee, S. Tsvelik, A. M. TI Analytically tractable model of bad metals SO PHYSICAL REVIEW B LA English DT Article ID KONDO PROBLEM AB We discuss a model Kondo-type Hamiltonian representing an analytically tractable version of the model used by Yin et al. [Phys. Rev. B 86, 239904(E) (2012)] to explain the non-Fermi-liquid behavior of iron chalcogenides and ruthenates in an intermediate energy range. We consider a regime where a complete screening of the local degrees of freedom proceeds in two stages described by two characteristic energy scales T-K(orb) >> E-0. The first scale marks a screening of the orbital degrees of freedom and the second one marks a crossover to the regime with coherent propagation of quasiparticles. We present analytical results for the specific heat and magnetic susceptibility at T << T-K(orb). C1 [Akhanjee, S.; Tsvelik, A. M.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Akhanjee, S (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. FU US DOE [DE-AC02-98 CH 10886] FX A.M.T. is grateful to G. Kotliar, S. Lukyanov, R. M. Konik, and P. Coleman for inspirational discussions and to A. James for help with the numerical calculations. The work was supported by the US DOE under Contract No. DE-AC02-98 CH 10886. NR 11 TC 5 Z9 5 U1 2 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 28 PY 2013 VL 87 IS 19 AR 195137 DI 10.1103/PhysRevB.87.195137 PG 5 WC Physics, Condensed Matter SC Physics GA 154EH UT WOS:000319653800005 ER PT J AU Song, Y Carr, SV Lu, XY Zhang, CL Sims, ZC Luttrell, NF Chi, SX Zhao, Y Lynn, JW Dai, PC AF Song, Yu Carr, Scott V. Lu, Xingye Zhang, Chenglin Sims, Zachary C. Luttrell, N. F. Chi, Songxue Zhao, Yang Lynn, Jeffrey W. Dai, Pengcheng TI Uniaxial pressure effect on structural and magnetic phase transitions in NaFeAs and its comparison with as-grown and annealed BaFe2As2 SO PHYSICAL REVIEW B LA English DT Article ID IRON; SUPERCONDUCTORS; ANISOTROPY AB We use neutron scattering to study the effect of uniaxial pressure on the tetragonal-to-orthorhombic structural (T-s) and paramagnetic-to-antiferromagnetic (T-N) phase transitions in NaFeAs and compare the outcome with similar measurements on as-grown and annealed BaFe2As2. In previous work on as-grown BaFe2As2, uniaxial pressure necessary to detwin the sample was found to induce a significant increase in zero pressure T-N and T-s. However, we find that similar uniaxial pressure used to detwin NaFeAs and annealed BaFe2As2 has a very small effect on their T-N and T-s. Since transport measurements on these samples still reveal resistivity anisotropy above T-N and T-s, we conclude that such anisotropy can not be due to uniaxial strain-induced T-N and T-s shifts, but must arise from intrinsic electronic anisotropy in these materials. C1 [Song, Yu; Carr, Scott V.; Lu, Xingye; Zhang, Chenglin; Sims, Zachary C.; Luttrell, N. F.; Dai, Pengcheng] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Lu, Xingye; Dai, Pengcheng] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China. [Chi, Songxue] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Zhao, Yang; Lynn, Jeffrey W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Zhao, Yang] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. RP Song, Y (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM pdai@utk.edu RI Dai, Pengcheng /C-9171-2012; Chi, Songxue/A-6713-2013; OI Dai, Pengcheng /0000-0002-6088-3170; Chi, Songxue/0000-0002-3851-9153; Song, Yu/0000-0002-3460-393X FU US DOE BES Grant [DE-FG02-05ER46202]; MOST of China 973 program [2012CB821400]; US DOE Scientific User Facilities Division; Materials Sciences and Engineering Division; BES FX We thank J. Hu and W. Lv for helpful discussions. The single-crystal growth and neutron scattering work at UTK is supported by the US DOE BES Grant No. DE-FG02-05ER46202. Work at the IOP, CAS, is supported by the MOST of China 973 program (2012CB821400). The research at HFIR, ORNL, was sponsored by the US DOE Scientific User Facilities Division, Materials Sciences and Engineering Division, and BES. NR 32 TC 18 Z9 18 U1 1 U2 52 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 28 PY 2013 VL 87 IS 18 AR 184511 DI 10.1103/PhysRevB.87.184511 PG 6 WC Physics, Condensed Matter SC Physics GA 154ED UT WOS:000319653400008 ER PT J AU McCutchan, EA Casten, RF Werner, V Casperson, RJ Heinz, A Qian, J Shoraka, B Terry, JR Williams, E Winkler, R AF McCutchan, E. A. Casten, R. F. Werner, V. Casperson, R. J. Heinz, A. Qian, J. Shoraka, B. Terry, J. R. Williams, E. Winkler, R. TI beta decay spectroscopy of light Nd isotopes SO PHYSICAL REVIEW C LA English DT Article ID NUCLEAR-DATA SHEETS; ND-134; PR-130; PM-132; STATES AB Excited states in Nd-132,Nd-134 were populated in the beta(+)/epsilon decay of Pm-132,Pm-134 and studied through off-beam gamma-ray spectroscopy. Level spins and multipole mixing ratios of transitions were determined through an angular correlation analysis. In Nd-132, a new excited 0(+) state is identified and in Nd-134 the level scheme is significantly extended. Differences in the location of the 0(2)(+) state and the gamma bandhead above and below N = 82 suggest that the lighter isotopes are much more gamma-soft than the heavier Nd and that a first-order phase transitional description is not applicable in the N < 82 region. C1 [McCutchan, E. A.; Casten, R. F.; Werner, V.; Casperson, R. J.; Heinz, A.; Qian, J.; Shoraka, B.; Terry, J. R.; Williams, E.; Winkler, R.] Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. [McCutchan, E. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Shoraka, B.] Univ Surrey, Guildford GU2 7XH, Surrey, England. RP McCutchan, EA (reprint author), Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. RI Heinz, Andreas/E-3191-2014; Williams, Elizabeth/D-3442-2014; Werner, Volker/C-1181-2017 OI Werner, Volker/0000-0003-4001-0150 FU Department of Energy Office of Nuclear Physics [DE-AC02-98CH10946, DE-FG02-91ER-40609] FX This work was supported by the Department of Energy Office of Nuclear Physics under Contract No. DE-AC02-98CH10946 and Grant No. DE-FG02-91ER-40609. NR 18 TC 1 Z9 1 U1 2 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 28 PY 2013 VL 87 IS 5 AR 057306 DI 10.1103/PhysRevC.87.057306 PG 5 WC Physics, Nuclear SC Physics GA 154EN UT WOS:000319654500009 ER PT J AU Roberts, A Howard, AM Kolata, JJ Villano, AN Becchetti, FD DeYoung, PA Febbraro, M Freeman, SJ Kay, BP McAllister, SA Mitchell, AJ Schiffer, JP Thomas, JS Torres-Isea, RO AF Roberts, A. Howard, A. M. Kolata, J. J. Villano, A. N. Becchetti, F. D. DeYoung, P. A. Febbraro, M. Freeman, S. J. Kay, B. P. McAllister, S. A. Mitchell, A. J. Schiffer, J. P. Thomas, J. S. Torres-Isea, R. O. TI Proton pair correlations and the neutrinoless double-beta decay of Ge-76 SO PHYSICAL REVIEW C LA English DT Article ID HE-3,N REACTION; STATES AB Proton pair correlations relevant for the neutrinoless double-beta decay of Ge-76 have been probed via the Ge-74,Ge-76(He-3,n) reactions at 16 MeV. No evidence for pairing vibrations in either nucleus is observed at sensitivity limits of similar to 6% and similar to 19% of the ground-state strength in Se-76 and Se-78, respectively. These results are relevant for the understanding of matrix elements for neutrinoless double-beta decay. The lack of pairing vibrations is consistent with a simple BCS structure for the ground states of Ge-76 and Se-76, assumed in quasiparticle random phase approximation (QRPA) models of the process. C1 [Roberts, A.; Howard, A. M.; Kolata, J. J.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Villano, A. N.] Univ Minnesota, Dept Phys, Minneapolis, MN 55455 USA. [Becchetti, F. D.; Febbraro, M.; Torres-Isea, R. O.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [DeYoung, P. A.] Hope Coll, Dept Phys, Holland, MI 49422 USA. [Freeman, S. J.; McAllister, S. A.; Mitchell, A. J.; Thomas, J. S.] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Kay, B. P.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Schiffer, J. P.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Roberts, A (reprint author), Los Alamos Natl Lab, POB 1663,MS H846, Los Alamos, NM 87545 USA. EM deyoung@hope.edu RI Freeman, Sean/B-1280-2010; Kay, Benjamin/F-3291-2011; Mitchell, Alan John/M-4486-2015 OI Freeman, Sean/0000-0001-9773-4921; Kay, Benjamin/0000-0002-7438-0208; Mitchell, Alan John/0000-0002-6742-695X FU National Science Foundation [PHY09-69456]; US Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; UK Science and Technology Facilities Council FX We wish to thank John Greene of Argonne National Laboratory for his careful preparation of the Ge targets used in these measurements and the operating staff of the Nuclear Science Laboratory at Notre Dame. We also wish to thank Dr. Graham Peaslee of Hope College for his kind assistance with the RBS measurements. This work was supported in part by the National Science Foundation under Grant No. PHY09-69456, the US Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357, and the UK Science and Technology Facilities Council. NR 27 TC 3 Z9 3 U1 1 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 28 PY 2013 VL 87 IS 5 AR 051305 DI 10.1103/PhysRevC.87.051305 PG 5 WC Physics, Nuclear SC Physics GA 154EN UT WOS:000319654500001 ER PT J AU Abazov, VM Abbott, B Acharya, BS Adams, M Adams, T Alexeev, GD Alkhazov, G Alton, A Askew, A Atkins, S Augsten, K Avila, C Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Baringer, P Bartlett, JF Bassler, U Bazterra, V Bean, A Begalli, M Bellantoni, L Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bhat, PC Bhatia, S Bhatnagar, V Blazey, G Blessing, S Bloom, K Boehnlein, A Boline, D Boos, EE Borissov, G Brandt, A Brandt, O Brock, R Bross, A Brown, D Brown, J Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Buszello, CP Camacho-Perez, E Casey, BCK Castilla-Valdez, H Caughron, S Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chapon, E Chen, G Cho, SW Choi, S Choudhary, B Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Cutts, D Das, A Davies, G de Jong, SJ De la Cruz-Burelo, E Deliot, F Demina, R Denisov, D Denisov, SP Desai, S Deterre, C DeVaughan, K Diehl, HT Diesburg, M Ding, PF Dominguez, A Dubey, A Dudko, LV Duggan, D Duperrin, A Dutt, S Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Evans, H Evdokimov, VN Facini, G Feng, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garcia-Bellido, A Garcia-Gonzalez, JA Garcia-Guerra, GA Gavrilov, V Geng, W Gerber, CE Gershtein, Y Ginther, G Golovanov, G Grannis, PD Greder, S Greenlee, H Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guillemin, T Gutierrez, G Gutierrez, P Haley, J Han, L Harder, K Harel, A Hauptman, JM Hays, J Head, T Hebbeker, T Hedin, D Hegab, H Heinson, AP Heintz, U Hensel, C Heredia-De la Cruz, I Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoang, T Hobbs, JD Hoeneisen, B Hogan, J Hohlfeld, M Howley, I Hubacek, Z Hynek, V Iashvili, I Ilchenko, Y Illingworth, R Ito, AS Jabeen, S Jaffre, M Jayasinghe, A Jeong, MS Jesik, R Jiang, P Johns, K Johnson, E Johnson, M Jonckheere, A Jonsson, P Joshi, J Jung, AW Juste, A Kajfasz, E Karmanov, D Kasper, PA Katsanos, I Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Kiselevich, I Kohli, JM Kozelov, AV Kraus, J Kumar, A Kupco, A Kurca, T Kuzmin, VA Lammers, S Landsberg, G Lebrun, P Lee, HS Lee, SW Lee, WM Lei, X Lellouch, J Li, D Li, H Li, L Li, QZ Lim, JK Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, H Liu, Y Lobodenko, A Lokajicek, M de Sa, RL Luna-Garcia, R Lyon, AL Maciel, AKA Magana-Villalba, R Malik, S Malyshev, VL Maravin, Y Martinez-Ortega, J McCarthy, R McGivern, CL Meijer, MM Melnitchouk, A Menezes, D Mercadante, PG Merkin, M Meyer, A Meyer, J Miconi, F Mondal, NK Mulhearn, M Nagy, E Naimuddin, M Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Nguyen, HT Nunnemann, T Orduna, J Osman, N Osta, J Padilla, M Pal, A Parashar, N Parihar, V Park, SK Partridge, R Parua, N Patwa, A Penning, B Perfilov, M Peters, Y Petridis, K Petrillo, G Petroff, P Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Popov, AV Prewitt, M Price, D Prokopenko, N Qian, J Quadt, A Quinn, B Rangel, MS Ranjan, K Ratoff, PN Razumov, I Renkel, P Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Sajot, G Salcido, P Sanchez-Hernandez, A Sanders, MP Santos, AS Savage, G Sawyer, L Scanlon, T Schamberger, RD Scheglov, Y Schellman, H Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shary, V Shaw, S Shchukin, AA Shivpuri, RK Simak, V Skubic, P Slattery, P Smirnov, D Smith, KJ Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Soustruznik, K Stark, J Stoyanova, DA Strauss, M Suter, L Svoisky, P Titov, M Tokmenin, VV Tsai, YT Tsybychev, D Tuchming, B Tully, C Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verdier, P Verkheev, AY Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vokac, P Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weichert, J Welty-Rieger, L White, A Wicke, D Williams, MRJ Wilson, GW Wobisch, M Wood, DR Wyatt, TR Xie, Y Yamada, R Yang, S Yasuda, T Yatsunenko, YA Ye, W Ye, Z Yin, H Yip, K Youn, SW Yu, JM Zennamo, J Zhao, TG Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L AF Abazov, V. 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Denisov, D. Denisov, S. P. Desai, S. Deterre, C. DeVaughan, K. Diehl, H. T. Diesburg, M. Ding, P. F. Dominguez, A. Dubey, A. Dudko, L. V. Duggan, D. Duperrin, A. Dutt, S. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Evans, H. Evdokimov, V. N. Facini, G. Feng, L. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fuess, S. Garcia-Bellido, A. Garcia-Gonzalez, J. A. Garcia-Guerra, G. A. Gavrilov, V. Geng, W. Gerber, C. E. Gershtein, Y. Ginther, G. Golovanov, G. Grannis, P. D. Greder, S. Greenlee, H. Grenier, G. Gris, Ph. Grivaz, J-F. Grohsjean, A. Gruenendahl, S. Gruenewald, M. W. Guillemin, T. Gutierrez, G. Gutierrez, P. Haley, J. Han, L. Harder, K. Harel, A. Hauptman, J. M. Hays, J. Head, T. Hebbeker, T. Hedin, D. Hegab, H. Heinson, A. P. Heintz, U. Hensel, C. Heredia-De la Cruz, I. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoang, T. Hobbs, J. D. Hoeneisen, B. Hogan, J. Hohlfeld, M. Howley, I. Hubacek, Z. Hynek, V. Iashvili, I. Ilchenko, Y. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jayasinghe, A. Jeong, M. S. Jesik, R. Jiang, P. Johns, K. Johnson, E. Johnson, M. Jonckheere, A. Jonsson, P. Joshi, J. Jung, A. W. Juste, A. Kajfasz, E. Karmanov, D. Kasper, P. A. Katsanos, I. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kiselevich, I. Kohli, J. M. Kozelov, A. V. Kraus, J. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Lammers, S. Landsberg, G. Lebrun, P. Lee, H. S. Lee, S. W. Lee, W. M. Lei, X. Lellouch, J. Li, D. Li, H. Li, L. Li, Q. Z. Lim, J. K. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, H. Liu, Y. Lobodenko, A. Lokajicek, M. de Sa, R. Lopes Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Magana-Villalba, R. Malik, S. Malyshev, V. L. Maravin, Y. Martinez-Ortega, J. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Menezes, D. Mercadante, P. G. Merkin, M. Meyer, A. Meyer, J. Miconi, F. Mondal, N. K. Mulhearn, M. Nagy, E. Naimuddin, M. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Nguyen, H. T. Nunnemann, T. Orduna, J. Osman, N. Osta, J. Padilla, M. Pal, A. Parashar, N. Parihar, V. Park, S. K. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Pleier, M-A. Podesta-Lerma, P. L. M. Podstavkov, V. M. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Qian, J. Quadt, A. Quinn, B. Rangel, M. S. Ranjan, K. Ratoff, P. N. Razumov, I. Renkel, P. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Sajot, G. Salcido, P. Sanchez-Hernandez, A. Sanders, M. P. Santos, A. S. Savage, G. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shary, V. Shaw, S. Shchukin, A. A. Shivpuri, R. K. Simak, V. Skubic, P. Slattery, P. Smirnov, D. Smith, K. J. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. Stoyanova, D. A. Strauss, M. Suter, L. Svoisky, P. Titov, M. Tokmenin, V. V. Tsai, Y-T. Tsybychev, D. Tuchming, B. Tully, C. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verdier, P. Verkheev, A. Y. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vokac, P. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weichert, J. Welty-Rieger, L. White, A. Wicke, D. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yamada, R. Yang, S. Yasuda, T. Yatsunenko, Y. A. Ye, W. Ye, Z. Yin, H. Yip, K. Youn, S. W. Yu, J. M. Zennamo, J. Zhao, T. G. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. CA D0 Collaboration TI Measurement of the ratio of differential cross sections sigma(p(p)over-bar -> Z + b jet)/sigma(p(p)over-bar -> Z + jet) in p(p)over-bar collisions at root s = 1.96 TeV SO PHYSICAL REVIEW D LA English DT Article ID ROOT-S=1.96 TEV; BOTTOM QUARKS; COLLABORATION; P(P)OVER-BAR; ASSOCIATION; COLLISIONS; DETECTOR AB We measure the ratio of cross sections, sigma(p (p) over bar -> Z + b jet)/sigma(p (p) over bar -> Z + jet), for associated production of a Z boson with at least one jet. The ratio is also measured as a function of the Z boson transverse momentum, jet transverse momentum, jet pseudorapidity, and the azimuthal angle between the Z boson with respect to the highest p(T) b tagged jet. These measurements use data collected by the D0 experiment in Run II of Fermilab's Tevatron p (p) over bar Collider at a center-of-mass energy of 1.96 TeV, and correspond to an integrated luminosity of 9.7 fb(-1). The results are compared to predictions from next-to-leading order calculations and various Monte Carlo event generators. C1 [Maciel, A. K. A.; Rangel, M. S.; Santos, A. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Begalli, M.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Mercadante, P. G.] Univ Fed ABC, Santo Andre, Brazil. [Mercadante, P. G.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Negret, J. P.] Univ Los Andes, Bogota, Colombia. [Soustruznik, K.] Charles Univ Prague, Fac Math & Phys, Ctr Particle Phys, Prague, Czech Republic. [Augsten, K.; Hubacek, Z.; Hynek, V.; Simak, V.; Vokac, P.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gris, Ph.] Univ Clermont Ferrand, LPC, CNRS, IN2P3, Clermont, France. 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[Baringer, P.; Bean, A.; Chen, G.; Clutter, J.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Maravin, Y.] Kansas State Univ, Manhattan, KS 66506 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Barberis, E.; Facini, G.; Haley, J.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; Herner, K.; Neal, H. A.; Qian, J.; Yu, J. M.; Zhou, B.; Zhu, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Brock, R.; Caughron, S.; Edmunds, D.; Fisher, W.; Geng, W.; Johnson, E.; Linnemann, J.; Schwienhorst, R.; Shaw, S.] Michigan State Univ, E Lansing, MI 48824 USA. [Bhatia, S.; Kraus, J.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; DeVaughan, K.; Dominguez, A.; Katsanos, I.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Duggan, D.; Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Smith, K. J.; Zennamo, J.] SUNY Buffalo, Buffalo, NY 14260 USA. [Demina, R.; Ferbel, T.; Garcia-Bellido, A.; Ginther, G.; Harel, A.; Petrillo, G.; Slattery, P.; Tsai, Y-T.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Boline, D.; Chakrabarti, S.; Grannis, P. D.; Hobbs, J. D.; de Sa, R. Lopes; McCarthy, R.; Schamberger, R. D.; Tsybychev, D.; Ye, W.; Ye, Z.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Patwa, A.; Pleier, M-A.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Jayasinghe, A.; Severini, H.; Skubic, P.; Strauss, M.; Svoisky, P.] Univ Oklahoma, Norman, OK 73019 USA. [Hegab, H.; Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Cutts, D.; Heintz, U.; Jabeen, S.; Landsberg, G.; Narain, M.; Parihar, V.; Partridge, R.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.; White, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Liu, H.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Hogan, J.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Hirosky, R.; Li, H.; Mulhearn, M.; Nguyen, H. T.] Univ Virginia, Charlottesville, VA 22904 USA. [Watts, G.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI Li, Liang/O-1107-2015; Santos, Angelo/K-5552-2012; Merkin, Mikhail/D-6809-2012; Shabalina, Elizaveta/M-2227-2013; Dudko, Lev/D-7127-2012; Fisher, Wade/N-4491-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Lokajicek, Milos/G-7800-2014; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Lei, Xiaowen/O-4348-2014; Gutierrez, Phillip/C-1161-2011 OI Li, Liang/0000-0001-6411-6107; Dudko, Lev/0000-0002-4462-3192; Sharyy, Viatcheslav/0000-0002-7161-2616; Lei, Xiaowen/0000-0002-2564-8351; FU DOE (USA); NSF (USA); CEA (France); CNRS/IN2P3 (France); MON (Russia); RFBR (Russia); NRC KI (Russia); CNPq (Brazil); FAPERJ (Brazil); FAPESP (Brazil); FUNDUNESP (Brazil); DAE (India); DST (India); Colciencias (Colombia); CONACyT (Mexico); NRF (Korea); FOM (The Netherlands); STFC (United Kingdom); Royal Society (United Kingdom); MSMT (Czech Republic); GACR (Czech Republic); BMBF (Germany); DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS (China); CNSF (China) FX We thank the authors of Refs. [1,5,29] for valuable discussions, and the staffs at Fermilab, and collaborating institutions, and acknowledge support from the DOE and NSF (USA); CEA and CNRS/IN2P3 (France); MON, NRC KI and RFBR (Russia); CNPq, FAPERJ, FAPESP and FUNDUNESP (Brazil); DAE and DST (India); Colciencias (Colombia); CONACyT (Mexico); NRF (Korea); FOM (The Netherlands); STFC and the Royal Society (United Kingdom); MSMT and GACR (Czech Republic); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); and CAS and CNSF (China). NR 35 TC 10 Z9 10 U1 0 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 28 PY 2013 VL 87 IS 9 AR 092010 DI 10.1103/PhysRevD.87.092010 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 154EW UT WOS:000319655600002 ER PT J AU Arthur, R Blum, T Boyle, PA Christ, NH Garron, N Hudspith, RJ Izubuchi, T Jung, C Kelly, C Lytle, AT Mawhinney, RD Murphy, D Ohta, S Sachrajda, CT Soni, A Yu, J Zanotti, JM AF Arthur, R. Blum, T. Boyle, P. A. Christ, N. H. Garron, N. Hudspith, R. J. Izubuchi, T. Jung, C. Kelly, C. Lytle, A. T. Mawhinney, R. D. Murphy, D. Ohta, S. Sachrajda, C. T. Soni, A. Yu, J. Zanotti, J. M. CA RBC Collaboration UKQCD Collaboration TI Domain wall QCD with near-physical pions SO PHYSICAL REVIEW D LA English DT Article ID 4 LOOPS; LATTICE; RENORMALIZATION AB We present physical results for a variety of light hadronic quantities obtained via a combined analysis of three 2 + 1 flavour domain wall fermion ensemble sets. For two of our ensemble sets we used the Iwasaki gauge action with beta = 2.13 (a(-1) = 1.75(4)GeV) and beta = 2.25 (a(-1) = 2.31(4) GeV) and lattice sizes of 24(3) x 64 and 32(3) x 64 respectively, with unitary pion masses in the range 293(5)-417(10) MeV. The extent Ls for the 5th dimension of the domain wall fermion formulation is L-s 16 in these ensembles. In this analysis we include a third ensemble set that makes use of the novel Iwasaki+DSDR (dislocation suppressing determinant ratio) gauge action at beta = 1.75 (a(-1) = 1.37(1) GeV) with a lattice size of 32(3) x 64 and L-s 32 to reach down to partially-quenched pion masses as low as 143(1) MeVand a unitary pion mass of 171(1) MeV, while retaining good chiral symmetry and topological tunneling. We demonstrate a significant improvement in our control over the chiral extrapolation, resulting in much improved continuum predictions for the above quantities. The main results of this analysis include the pion and kaon decay constants, f(pi) = 127(3)(stat)(3)(sys) MeV and f(K) = 152(3)(stat)(2)(sys) MeV respectively (f(K) / f(pi) = 1: 199(12)(stat)(14)(sys)); the average up/down quark mass and the strange-quark mass in the (MS) over bar -scheme at 3 GeV, m(ud)((MS) over bar, 3 GeV) = 3: 05(8)(stat)(6)(sys) MeV and m(s)((MS) over bar, 3 GeV) = 83.5(1.7)(stat)(1.1)(sys), the neutral kaon mixing parameter in the (MS) over bar -scheme at 3 GeV, B-K((MS) over bar, 3 GeV = 0.535(8)(stat)(13)(sys), and in the RGI scheme, (B) over cap (K) 0.758(11)(stat)(19)(sys), and the Sommer scales (r(1)/r(0) = 323(8)(stat)(4)(sys) fm and r(0) = 0.480(10)(stat)(4)(sys) (r(1)/ r(0) = 0.673(11)(stat)(3)(sys)). We also obtain values for the SU(2) chiral perturbation theory effective couplings, (l) over bar (3) = 2.91(23)(stat)(7)(sys) and (l) over bar (4) = 3.99(16)(stat)(9)(sys). C1 [Arthur, R.; Boyle, P. A.; Garron, N.; Hudspith, R. J.] Univ Edinburgh, Sch Phys, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland. [Blum, T.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Blum, T.; Izubuchi, T.; Ohta, S.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Christ, N. H.; Kelly, C.; Mawhinney, R. D.; Murphy, D.; Yu, J.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Izubuchi, T.; Jung, C.; Soni, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Lytle, A. T.; Sachrajda, C. T.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Ohta, S.] KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki 3050801, Japan. [Ohta, S.] Sokendai Grad Univ Adv Studies, Dept Particle & Nucl Phys, Hayama, Kanagawa 2400193, Japan. [Zanotti, J. M.] Univ Adelaide, Sch Chem & Phys, CSSM, Adelaide, SA 5005, Australia. RP Arthur, R (reprint author), Univ Edinburgh, Sch Phys, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland. RI Zanotti, James/H-8128-2012; OI Zanotti, James/0000-0002-3936-1597; Murphy, David/0000-0002-8538-815X FU USDOE SciDAC program; DiRAC resources; STFC [ST/J000396/1, ST/H008888/1, ST/J000329/1, ST/K000411/1]; U.S DOE [DE-FG02-92ER40716, DE-FG02-92ER40699]; SUPA studentship; EU [238353]; JSPS Kakenhi [22540301, 23105715]; Australian Research Council through a Future Fellowship [FT100100005]; DOE [AC-0298CH10886] FX The generation of the 323 x 64 Iwasaki + DSDR ensembles and the measurements on them were performed using the IBM Blue Gene/P machines at the Argonne Leadership Class Facility (ALCF) provided under the Incite Program of the U. S. DOE. Much of the computation for the 323 + 64 Iwasaki ensembles was also performed at this facility, with the remainder, along with the computation for the 243 + 64 Iwasaki ensembles, performed using the QCDOC computers [52-54] at Columbia University, Edinburgh University, and at the Brookhaven National Laboratory (BNL). At BNL, the QCDOC computers of the RIKEN-BNL Research Center and the USQCD Collaboration were used. The software used includes the CPS QCD code (http://qcdoc. phys. columbia.edu/cps.html), supported in part by the USDOE SciDAC program; the BAGEL ( http://www2.ph.ed.ac.uk/similar to paboyle/bagel/) assembler kernel generator for many of the highperformance optimized kernels [55]; and the UKHadron codes. Renormalization was performed using STFC funded DiRAC resources. C. T. S and A. T. L are funded by STFC Grant No. ST/J000396/1. The University of Southampton's Iridis cluster is funded by STFC Grant No. ST/H008888/1. T. B. is funded by the U.S. DOE Grant No. # DE-FG02-92ER40716. R. A. is supported by a SUPA studentship. N.G. is supported by the STFC Grant No. ST/G000522/1 and acknowledges the EU Grant No. 238353 (STRONGnet). P. A. B., N. G. and R. J. H. are supported by STFC Grants No. ST/K000411/1, No. ST/J000329/1 and No. ST/H008845/1. C. K., N. H. C. and R. D. M. are partially supported by U.S. DOE Grant No. # DE-FG02-92ER40699. A. S., C. J. and T. I. are partially supported by DOE Contract No. # AC-0298CH10886 (BNL). T. I. is also partially supported by JSPS Kakenhi Grants No. 22540301 and No. 23105715. J. M. Z. is supported by the Australian Research Council through a Future Fellowship (FT100100005). NR 53 TC 50 Z9 50 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 28 PY 2013 VL 87 IS 9 AR 094514 DI 10.1103/PhysRevD.87.094514 PG 53 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 154EW UT WOS:000319655600011 ER PT J AU Radyushkin, AV AF Radyushkin, A. V. TI Modeling nucleon generalized parton distributions SO PHYSICAL REVIEW D LA English DT Article ID VIRTUAL COMPTON-SCATTERING; DUAL PARAMETRIZATION; ELECTROPRODUCTION; TOMOGRAPHY; GPDS; QCD AB We discuss building models for nucleon generalized parton distributions H and E that are based on the formalism of double distributions (DDs). We found that the usual "DD + D-term'' construction should be amended by an extra term, xi E-+(1)(x, xi) built from the alpha/beta moment of the DD ed e(beta,alpha) that generates generalized parton distribution E(x, xi). Unlike the D term, this function has support in the whole -1 <= x <= 1 region, and in general does not vanish at the border points broken vertical bar x broken vertical bar = xi. C1 [Radyushkin, A. V.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Radyushkin, A. V.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Radyushkin, A. V.] JINR, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. RP Radyushkin, AV (reprint author), Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. FU Jefferson Science Associates, LLC under U.S. DOE [DE-AC05-06OR23177] FX thank H. Moutarde and A. Tandogan for discussions, and C. Mezrag for correspondence. This work is supported by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. NR 29 TC 7 Z9 7 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 28 PY 2013 VL 87 IS 9 AR 096017 DI 10.1103/PhysRevD.87.096017 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 154EW UT WOS:000319655600015 ER PT J AU Kalinin, SV AF Kalinin, Sergei V. TI Scanning Probe Microscopy in US Department of Energy Nanoscale Science Research Centers: Status, Perspectives, and Opportunities SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID ATOMIC-FORCE MICROSCOPE; TUNNELING-MICROSCOPY; ELECTRON-MICROSCOPE; EPITAXIAL GRAPHENE; DOMAIN-WALLS; DARK-FIELD; RESOLUTION; PLASMONICS; CONTRAST; DEVICES C1 Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 FU Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work 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. The author acknowledges multiple illuminating discussions with Steve Pennycook (ORNL), Roger Proksch (Asylum Research), John Budai (ORNL), and Dawn Bonnell (U. Penn) on multiple aspects of modern nanoscience and probe-, X-ray, and electron microscopy, and E. Strelcov and A. Borisevich (ORNL) for help with image preparation. He also gratefully acknowledges multiple discussions and invaluable input from colleagues at CNMS and other NSRCs (G. Montano, J. Schuck, J, DeYoreo, V. Rose, N. P. Gusinger, J. R. Guest, P. Sutter, A. P. Baddorf) and multiple collaborators and users at CNMS. Finally, J. Murphy and L. Horton (DOE) are acknowledged for critical reading of the manuscript. NR 93 TC 2 Z9 2 U1 3 U2 100 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2468 EP 2476 DI 10.1002/adfm.201300891 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700001 ER PT J AU Gai, Z Kalinin, SV Li, AP Shen, J Baddorf, AP AF Gai, Zheng Kalinin, S. V. Li, An-Ping Shen, Jian Baddorf, A. P. TI In Situ Observations and Tuning of Physical and Chemical Phenomena on the Surfaces of Strongly Correlated Oxides SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE strongly correlated oxides; epitaxy; thin films; structureproperty relationships ID METAL-INSULATOR-TRANSITION; PULSED-LASER DEPOSITION; THIN-FILMS; ELECTRONIC-STRUCTURE; RUTHENATE SR3RU2O7; DOPED MANGANITES; PHASE-SEPARATION; PEROVSKITE FILMS; DOUBLE-EXCHANGE; FERROELECTRICITY AB The characteristic aspect of strongly correlated oxides systems is the strong coupling between the structural, electronic and magnetic properties. A small change in one property can produce a large change in another. Controllable surface tuning provides the opportunity to study how structural, electronic, and magnetic properties respond to the broken symmetry and opens avenues for exploration of completely new physical properties. The extreme sensitivity of properties to external chemical and physical stimuli makes in situ characterization a requirement for controlled tuning of complex correlated materials. This paper reviews some recent progress in in situ observations and tuning of physical and chemical phenomena on the surfaces of strongly correlated oxides thin films and crystals, including atomic-level structural studies, control, and tuning of the physical properties. C1 [Gai, Zheng; Kalinin, S. V.; Li, An-Ping; Baddorf, A. P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Shen, Jian] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China. [Shen, Jian] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. RP Gai, Z (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. EM gaiz@ornl.gov RI Gai, Zheng/B-5327-2012; Li, An-Ping/B-3191-2012; Kalinin, Sergei/I-9096-2012; Baddorf, Arthur/I-1308-2016 OI Gai, Zheng/0000-0002-6099-4559; Li, An-Ping/0000-0003-4400-7493; Kalinin, Sergei/0000-0001-5354-6152; Baddorf, Arthur/0000-0001-7023-2382 FU Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX 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. NR 90 TC 4 Z9 4 U1 5 U2 108 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2477 EP 2489 DI 10.1002/adfm.201203425 PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700002 ER PT J AU Vasudevan, RK Marincel, D Jesse, S Kim, Y Kumar, A Kalinin, SV Trolier-McKinstry, S AF Vasudevan, Rama K. Marincel, Daniel Jesse, Stephen Kim, Yunseok Kumar, Amit Kalinin, Sergei V. Trolier-McKinstry, Susan TI Polarization Dynamics in Ferroelectric Capacitors: Local Perspective on Emergent Collective Behavior and Memory Effects SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE ferroelectrics; thin films; capacitors; scanning probe microscopy; domain switching; hysteresis ID PIEZORESPONSE FORCE MICROSCOPY; THIN-FILMS; ELECTROCHEMICAL PHENOMENA; POLYCRYSTALLINE FERROELECTRICS; NANOMETER RESOLUTION; STATISTICAL-THEORY; NANOSCALE; CERAMICS; DOMAINS; NONLINEARITY AB Functional properties of ferroelectric materials depend both on the residual domain states and on the mobility of domain walls in response to the applied electric and stress fields. This paper reviews the use of multidimensional scanning probe microscopy to assess these factors in the time- and voltage domains, with an emphasis on the manner in which domain walls respond collectively to stimuli. It is found that in many PbZr1-xTixO3-based capacitors, domain wall motion is correlated over length scales that exceed the domain and grain sizes by orders of magnitude, suggesting emergent collective electromechanical behavior. The role of mechanical boundary conditions and field history on the domain wall contributions and the stability of the ferroelectric domain state are discussed. C1 [Vasudevan, Rama K.] Univ New S Wales, Sch Mat Sci & Engn, Kensington, NSW 2052, Australia. [Marincel, Daniel; Trolier-McKinstry, Susan] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Jesse, Stephen; Kim, Yunseok; Kumar, Amit; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Vasudevan, RK (reprint author), Univ New S Wales, Sch Mat Sci & Engn, Kensington, NSW 2052, Australia. EM sergei2@ornl.gov; STMcKinstry@psu.edu RI Kumar, Amit/C-9662-2012; Vasudevan, Rama/Q-2530-2015; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016 OI Kumar, Amit/0000-0002-1194-5531; Trolier-McKinstry, Susan/0000-0002-7267-9281; Vasudevan, Rama/0000-0003-4692-8579; Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483 FU Scientific User Facilities Division, DOE BES FX The authors acknowledge V. Nagarajan (University of New South Wales) for collaborations and multiple discussions. R. K. V. acknowledges the ARC Discovery Project Scheme and the user facilities at ORNL-CNMS under user proposal No. 2011-281. S. T. M. gratefully acknowledges the National Science Foundation and the National Security Science and Engineering Faculty Fellowship. S. V. K., S.J., Y.K., and A. K. acknowledge support from the Scientific User Facilities Division, DOE BES. The multidimensional PFM modes are available as a part of user program at the Center for Nanophase Materials Sciences (CNMS), www.cnms.ornl.gov. NR 125 TC 10 Z9 10 U1 2 U2 141 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2490 EP 2508 DI 10.1002/adfm.201203422 PG 19 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700003 ER PT J AU Li, AP Clark, KW Zhang, XG Baddorf, AP AF Li, An-Ping Clark, Kendal W. Zhang, X. -G. Baddorf, Arthur P. TI Electron Transport at the Nanometer-Scale Spatially Revealed by Four-Probe Scanning Tunneling Microscopy SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE charge transport; structure-property relationships; electronic structures; scanning tunneling microscopy; nanostructures ID ATOMIC-FORCE MICROSCOPE; 4-POINT-PROBE MEASUREMENTS; SEMICONDUCTOR SURFACES; EPITAXIAL GRAPHENE; PROBE; POTENTIOMETRY; MANIPULATION; CONDUCTANCE; FIELD; TIP AB Electron transport at the nanometer-scale is the key to novel applications of nanomaterials in electronic and energy technologies. Due to the restricted dimensionality, one of the distinctive characteristics of nano-systems is their transport properties critically depend on structural details. Therefore, an important requirement for transport research of a specific nanomaterial system is to examine structures and properties in a coherent manner. In this regard, four-probe scanning tunneling microscopy (STM), which combines four independently controllable STMs with a scanning electron microscope (SEM) in the same cryogenic environment, is uniquely useful for probing electron transport on multiple length-scales and revealing how transport is coupled to the electronic and structural properties down to the atomic scale for individual nanomaterials. By utilizing this unique tool, extensive research has been undertaken to explore aspects of nanotransport, which include (a) intertwined electronic and structural phase transitions in surface supported two-dimensional structures, (b) effects of atomic defects and interwire coupling on the electronic and transport properties of ultra thin quantum wire systems, (c) grain boundary resistances in copper nanowires with one-to-one correspondence to the grain boundary structure, (d) defect scattering effects in two-dimensional electron gas systems, and (e) evaluation of transport behaviors of individual semiconductor nano-junctions and nanodevices. In this paper, transport measurement techniques are first introduced with a four-probe STM and then the recent progress on its applications is reviewed with a focus on the spatially resolved electron transport at the nanometer-scale. The goal is to stimulate further advancement and utilization of techniques capable of characterizing materials properties at the nanometer-scale to facilitate the exploration of the great promise of nanoscience and nanotechnology. C1 [Li, An-Ping; Clark, Kendal W.; Zhang, X. -G.; Baddorf, Arthur P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Li, AP (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM apli@ornl.gov RI Li, An-Ping/B-3191-2012; Arumugam, Thirumagal/C-3408-2014; Baddorf, Arthur/I-1308-2016 OI Li, An-Ping/0000-0003-4400-7493; Baddorf, Arthur/0000-0001-7023-2382 FU Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX 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. NR 87 TC 16 Z9 16 U1 7 U2 136 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2509 EP 2524 DI 10.1002/adfm.201203423 PG 16 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700004 ER PT J AU De Yoreo, JJ Chung, S Friddle, RW AF De Yoreo, James J. Chung, Sungwook Friddle, Raymond W. TI In Situ Atomic Force Microscopy as a Tool for Investigating Interactions and Assembly Dynamics in Biomolecular and Biomineral Systems SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE S-layer; self-assembly; protein crystallization; in situ AFM imaging; dynamic force spectroscopy; amelogenin; hydroxyapatite; calcium oxalate ID CALCIUM-OXALATE MONOHYDRATE; S-LAYERS; MOLECULAR MODULATION; ENERGY LANDSCAPES; SELECTIVE BINDING; ENAMEL FORMATION; GROWTH; CRYSTALLIZATION; PROTEIN; CRYSTALS AB Atomic force imaging and spectroscopy provide unique tools for investigating molecular interactions and dynamics in biomolecular and biomineral systems in situ. Herein, three recent examples of methods used to gain mechanistic insights into the self-assembly of protein matrices and biomolecular controls over mineral formation are reviewed. Studies of S-layer protein assembly reveal the complex nature of the nucleation and growth pathway, demonstrate the importance of kinetic traps in determining that pathway and provide quantification of the energy barriers controlling formation rates. Investigations of citrate and polypeptide modification of calcium oxalate monohydrate growth combined with molecular dynamics simulations (MD) demonstrate the importance of stereochemical matching at atomic steps on the crystal surface and establish a direct relationship between the step edge binding energies and shape modification. Measurements of step kinetics lead to detailed atomic-scale models that include both thermodynamic and kinetic effects, including time-dependent phenomena related to the multi-stage binding dynamics of polypeptide chains. Dynamic force spectroscopy measurements of binding between amelogenin peptide segments and hydroxyapatite (HAP) crystal faces, again combined with MD simulations, establish an energetic rationale for the observed c-axis elongation characteristic of HAP in tooth enamel, based on determinations of the peptide-HAP binding free energy. These examples demonstrate the deep level of understanding that can be obtained by applying in situ AFM imaging and force spectroscopy to biomolecular and biomineral systems. C1 [De Yoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry & Mat Sci Div, Berkeley, CA 94720 USA. [Chung, Sungwook] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry & Phys Biosci Div, Berkeley, CA 94720 USA. [Friddle, Raymond W.] Sandia Natl Labs, Livermore, CA 94550 USA. RP De Yoreo, JJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM james.deyoreo@pnnl.gov RI Foundry, Molecular/G-9968-2014 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; United States Department of Energy [DE-AC04-94AL85000] FX This work was performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, with support from the 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 United States Department of Energy under contract DE-AC04-94AL85000. The photograph for the inside cover was taken by R.W.F. NR 78 TC 9 Z9 9 U1 12 U2 151 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2525 EP 2538 DI 10.1002/adfm.201203424 PG 14 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700005 ER PT J AU Schuck, PJ Weber-Bargioni, A Ashby, PD Ogletree, DF Schwartzberg, A Cabrini, S AF Schuck, P. James Weber-Bargioni, Alexander Ashby, Paul D. Ogletree, D. Frank Schwartzberg, Adam Cabrini, Stefano TI Life Beyond Diffraction: Opening New Routes to Materials Characterization with Next-Generation Optical Near-Field Approaches SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE nano-optics; near-field scanning optical microscopy; scanning probe microscopy; tip-enhanced; optical antennas ID ENHANCED RAMAN-SPECTROSCOPY; WALL CARBON NANOTUBES; ABSORPTION-SPECTROSCOPY; SINGLE NANOPARTICLES; SPATIAL-RESOLUTION; GRAPHENE PLASMONS; HIGH TRANSMISSION; WAVE-GUIDES; MICROSCOPY; TIP AB Near-field optical microscopies and spectroscopies seek to investigate materials by combining the best aspects of optical characterization and scan-probe microscopy techniques. In principle, this provides access to chemical, morphological, physical and dynamical information at nanometer length scales that is impossible to access by other means. But a number of challenges, particularly on the scan-probe front, have limited the widespread application of near-field investigations. This work describes how recent probe engineering and technique innovation have addressed many of these challenges. This Feature Article begins with a short overview of the field, providing perspective and motivation for these developments and highlighting some key improvements. This is followed by a more in-depth description of the near-field advances developed at the Molecular Foundry, a national nanoscience User Facilityadvances that provide groundwork for generally-applicable nano-optical studies. Finally, a discussion is provided of what progress is still needed in order to realize the ultimate objective of translating all optical measurements to the nanoscale. C1 [Schuck, P. James; Weber-Bargioni, Alexander; Ashby, Paul D.; Ogletree, D. Frank; Schwartzberg, Adam; Cabrini, Stefano] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Schuck, PJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry,1 Cyclotron Rd Mail Stop, Berkeley, CA 94720 USA. EM pjschuck@lbl.gov; afweber-bargioni@lbl.gov; scabrini@lbl.gov RI Foundry, Molecular/G-9968-2014; Ogletree, D Frank/D-9833-2016 OI Ogletree, D Frank/0000-0002-8159-0182 FU 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 The authors specifically thank Ed Wong for fast and high-quality technical support, as well as our colleagues at the Molecular Foundry for stimulating discussion and assistance. We specifically thank W. Bao, M. Melli, F. Intonti, D. S. Wiersma, Y. D. Suh, O. Yaghi, S. Aloni, J. B. Neaton, E. Yablonovitch, J. Bokor, and M. B. Salmeron for their valuable contributions to this effort. Work at the Molecular Foundry was supported 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 135 TC 21 Z9 21 U1 2 U2 117 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2539 EP 2553 DI 10.1002/adfm.201203432 PG 15 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700006 ER PT J AU Iski, EV Yitamben, EN Gao, L Guisinger, NP AF Iski, Erin V. Yitamben, Esmeralda N. Gao, Li Guisinger, Nathan P. TI Graphene at the Atomic-Scale: Synthesis, Characterization, and Modification SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE graphene; STM; hydrogen; synthesis; copper; silcon carbide ID CHEMICAL-VAPOR-DEPOSITION; METAL CARBIDE SURFACES; SCANNING-TUNNELING-MICROSCOPY; SINGLE-LAYER GRAPHENE; EPITAXIAL GRAPHENE; ELECTRONIC-STRUCTURE; MONOLAYER GRAPHITE; HETEROEPITAXIAL GRAPHITE; THERMAL-CONDUCTIVITY; INSULATING SURFACE AB Graphene is nature's ideal two-dimensional conductor and is comprised of a single sheet of hexagonally packed carbon atoms. Since the first electrical measurements made on graphene, researchers have been trying to exploit the unique properties of this material for a variety of applications that span numerous scientific and engineering disciplines. In order to fully realize the potential of graphene, large scale synthesis of high quality graphene and the ability to control the electronic properties of this material on a nanometer length-scale are necessary and remain key challenges. This article will review the efforts at the Center for Nanoscale Materials that focus on the atomic-scale characterization and modification of graphene via scanning tunneling microscopy and its synthesis on various materials (SiC, Cu(111), Cu foil, etc.). These fundamental studies explore growth dynamics, film quality, and the role of defects. The chemical modification of graphene following exposure to atomic hydrogen will also be covered, while additional emphasis will be made on graphene's unique structural properties. C1 [Iski, Erin V.; Yitamben, Esmeralda N.] Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Gao, Li] Calif State Univ Northridge, Dept Phys, Northridge, CA 91330 USA. [Guisinger, Nathan P.] Argonne Natl Lab, Lemont, IL 60439 USA. RP Iski, EV (reprint author), Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM nguisinger@anl.gob FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under "SISGR" [DE-FG02-09ER16109, DE-AC02-06CH11357]; DARPA [MIPR 10-E533] FX The use of the Center for Nanoscale Materials at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under "SISGR" Contract No. DE-FG02-09ER16109 and Contract No. DE-AC02-06CH11357. This work is also supported by DARPA contract MIPR 10-E533. NR 124 TC 17 Z9 17 U1 6 U2 286 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2554 EP 2564 DI 10.1002/adfm.201203421 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700007 ER PT J AU Chien, TY Chakhalian, J Freeland, JW Guisinger, NP AF Chien, Te Yu Chakhalian, Jak Freeland, John W. Guisinger, Nathan P. TI Cross-Sectional Scanning Tunneling Microscopy Applied to Complex Oxide Interfaces SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE ceramics; characterization tools; electronic structures; superconductors; thin films ID C SUPERCONDUCTOR BI2SR2CACU2O8+DELTA; CORE-LEVEL PHOTOEMISSION; INAS/GASB SUPERLATTICES; INSULATOR-TRANSITION; ELECTRONIC-STRUCTURE; STRONTIUM-TITANATE; GAAS(110) SURFACE; PEROVSKITE FILMS; IMPURITY ATOMS; THIN-FILMS AB Understanding interfacial science is critical to many modern technologies. It is very common in solid-state physics for electronic properties to show novel phenomena when combining various dissimilar materials at atomically abrupt interfaces. For example, semiconductor interfaces have provided the foundation of modern electronic devices for several decades. Now with advances in growth and synthesis, controllable high quality complex oxide heterojunctions can be routinely fabricated. Since complex oxide materials exhibit a wide variety of functionalities owing to their strong coupling to the electron, lattice, orbital and spin degrees of freedom, these materials display a wide spectrum of interesting functionalities. Combining dissimilar complex oxides at interfaces allows one to explore and create intriguing phenomena that are not attainable in the lone bulk constituents. However, the key challenge has been the direct characterization of these interfaces at the nanoscale in order to understand the physical properties found at complex oxide interfaces. This requires the development of new experimental approaches. In this paper, we review the utilization of cross-sectional scanning tunneling microscopy/spectroscopy as a direct probe of these oxide interfaces at the nanoscale. This technique provides valuable insight to both structural and electronic properties of these unique systems and enables understanding of the detailed electronic structure (e.g., local electronic density of states (LDOS), charge transfer, band bending, etc.) at oxide interfaces, which is of key interest to both fundamental and applied science. C1 [Chien, Te Yu; Freeland, John W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Chakhalian, Jak] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Guisinger, Nathan P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Chien, TY (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM nguisinger@anl.gov RI Chakhalian, Jak/F-2274-2015 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOD-ARO [0402-17291]; NSF [DMR-0747808] FX Work at Argonne, including the Center for Nanoscale Materials, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.C. was supported by DOD-ARO under the Grant No. 0402-17291 and NSF Grant No. DMR-0747808. NR 87 TC 6 Z9 6 U1 4 U2 94 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2565 EP 2575 DI 10.1002/adfm.201203430 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700008 ER PT J AU Montano, GA Adams, PG Xiao, XY Goodwin, PM AF Montano, Gabriel A. Adams, Peter G. Xiao, Xiaoyin Goodwin, Peter M. TI Scanning Probe Microscopy of Nanocomposite Membranes and Dynamic Organization SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE atomic force microscopy; programmable membrane-based nanocomposites; lipid bilayer assemblies; polymer membrane assemblies; nanotechnology ID SUPPORTED LIPID-BILAYERS; ATOMIC-FORCE MICROSCOPY; MIXED POLYMER BRUSHES; DIBLOCK COPOLYMER TEMPLATES; PHOTOSYNTHETIC CORE COMPLEX; BLOCK-COPOLYMERS; RHODOBACTER-SPHAEROIDES; THIN-FILMS; 3-DIMENSIONAL STRUCTURES; PHOSPHOLIPID-MEMBRANES AB Nanocomposite membrane assemblies are a class of materials that incorporate inorganic/organic nanoscale materials, such as fullerenes and gold nanoparticles or nanostructured materials with bio-inspired amphiphilic structures composed of molecules such as lipids or block copolymers. One of the intrigues of such materials is the potential to develop programmable membrane assemblies that mimic biological membrane complexity, dynamics and function. Due to the nanoscale nature of the assemblies, it becomes necessary to understand interactions between these materials with nanoscale resolution. Although many techniques are able to provide information as to the overall organization of membrane-based assemblies, only scanning probe microscopy (SPM) methods allow for a direct visualization of stochastic processes under environmentally relevant conditions. Here, an overview of nanocomposite membrane and thin film architecture investigations is presented with an emphasis on using in situ atomic force microscopy (AFM) in combination with fluorescence microscopy/spectroscopy techniques to understand organization and dynamics, in relation to activities and capabilities at the Center for Integrated Nanotechnologies. C1 [Montano, Gabriel A.; Adams, Peter G.; Goodwin, Peter M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Xiao, Xiaoyin] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Montano, GA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM gbmon@lanl.gov RI Adams, Peter/B-6539-2013 OI Adams, Peter/0000-0002-3940-8770 FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. We thank Dr. Susan M. Brozik and Dr. David R. Wheeler for discussion and support and use their schematic, Figure 5. NR 119 TC 4 Z9 4 U1 4 U2 73 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2576 EP 2591 DI 10.1002/adfm.201203429 PG 16 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700009 ER PT J AU Vasudevan, RK Wu, WD Guest, JR Baddorf, AP Morozovska, AN Eliseev, EA Balke, N Nagarajan, V Maksymovych, P Kalinin, SV AF Vasudevan, Rama K. Wu, Weida Guest, Jeffrey R. Baddorf, Arthur P. Morozovska, Anna N. Eliseev, Eugene A. Balke, Nina Nagarajan, V. Maksymovych, Peter Kalinin, Sergei V. TI Domain Wall Conduction and Polarization-Mediated Transport in Ferroelectrics SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE ferroelectric; thin film; domain wall conduction; memristive systems; Landau-Ginzburg-Devonshire theory ID SCANNING FORCE MICROSCOPY; TRANSMISSION ELECTRON-MICROSCOPY; THIN-FILMS; IMPROPER FERROELECTRICS; PEROVSKITE FERROELECTRICS; DIELECTRIC-BREAKDOWN; SWITCHING KINETICS; SPIN POLARIZATION; TUNNEL-JUNCTIONS; LITHIUM-NIOBATE AB Nanometer-scale electronic transport in engineered interfaces in ferroelectrics, such as domains and topological defects, has emerged as a topic of broad interest due to potential applications in information storage, sensors and photovoltaic devices. Scanning probe microscopy (SPM) methods led to rapid growth in the field by enabling correlation of the unique functional properties with microstructural features in the aforementioned highly localized phenomena. In addition to conduction localized at interfaces, polarization-mediated control of conduction through domains in nanoscale ferroelectrics suggests significant potential for use in memristor technologies. In parallel with experiment, theory based on thermodynamic Landau-Ginzburg-Devonshire (LGD) framework has seen rapid development, both rationalizing the observations, and hinting at possibilities for local, deterministic control of order parameters. These theories can successfully account for static interface conductivity at charged, nominally uncharged and topologically protected domain walls. Here, recent experimental and theoretical progress in SPM-motivated studies on domain wall conduction in both standard and improper ferroelectrics are reviewed. SPM studies on transport through ferroelectrics reveal that both domains and topological defects in oxides can be exploited as individual elements for use in functional nanoscale devices. Future prospects of the field are discussed. C1 [Vasudevan, Rama K.; Nagarajan, V.] Univ New S Wales, Kensington, NSW 2052, Australia. [Wu, Weida] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Wu, Weida] Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. [Guest, Jeffrey R.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Morozovska, Anna N.] Natl Acad Sci Ukraine, Inst Phys, Kiev, Ukraine. [Eliseev, Eugene A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, Kiev, Ukraine. [Baddorf, Arthur P.; Balke, Nina; Maksymovych, Peter; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Vasudevan, RK (reprint author), Univ New S Wales, Kensington, NSW 2052, Australia. EM wdwu@physics.rutgers.edu; nagarajan@unsw.edu.au; maksymovychp@ornl.gov RI Guest, Jeffrey/B-2715-2009; Wu, Weida/F-2092-2011; valanoor, nagarajan/B-4159-2012; Vasudevan, Rama/Q-2530-2015; Balke, Nina/Q-2505-2015; Kalinin, Sergei/I-9096-2012; Maksymovych, Petro/C-3922-2016; Baddorf, Arthur/I-1308-2016 OI Guest, Jeffrey/0000-0002-9756-8801; Wu, Weida/0000-0003-1691-6091; Vasudevan, Rama/0000-0003-4692-8579; Balke, Nina/0000-0001-5865-5892; Kalinin, Sergei/0000-0001-5354-6152; Maksymovych, Petro/0000-0003-0822-8459; Baddorf, Arthur/0000-0001-7023-2382 FU ARC Discovery Project Scheme; ARC LIEF; NSF DMR [DMR-0844807]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Scientific User Facilities Division, DOE BES; ORNL FX R.K.V. and V.N. acknowledge support of ARC Discovery Project Scheme, ARC LIEF and the user facilities at ORNL-CNMS under user proposal No. 2011-283. W. W. acknowledges support from NSF DMR Award no. DMR-0844807. 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. SVK, N.B., P. M. and A. P. B. acknowledge support from the Scientific User Facilities Division, DOE BES. P. M. acknowledges Wigner fellowship of ORNL. NR 207 TC 30 Z9 30 U1 20 U2 351 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2592 EP 2616 DI 10.1002/adfm.201300085 PG 25 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700010 ER PT J AU Sutter, P Sutter, E AF Sutter, Peter Sutter, Eli TI Microscopy of Graphene Growth, Processing, and Properties SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE graphene; growth; in situ microscopy; interface; band structure ID CHEMICAL-VAPOR-DEPOSITION; PROBE FORCE MICROSCOPY; EPITAXIAL METAL-FILMS; FEW-LAYER GRAPHENE; ELECTRONIC-STRUCTURE; MONOLAYER GRAPHENE; BORON-NITRIDE; INDUCED RECONSTRUCTION; BILAYER GRAPHENE; GRAIN-BOUNDARIES AB The growth and properties of two-dimensional (2D) materialsgraphene as well as related monolayer systems, such as hexagonal boron nitrideon metals are topics of high scientific and technological interest. Real-time low-energy electron microscopy (LEEM) can provide unique insight into the fundamental growth mechanisms of 2D materials on metal substrates. In combination with in situ spectroscopic measurements, LEEM can greatly facilitate the search for synthesis and processing protocols that produce 2D materials with desired properties for applications. Here, progress is reviewed in understanding the scalable growth of high-quality graphene on metals, novel processing strategies based on selective chemical reactions at the graphene/metal interface, and important materials properties (structure, electronic properties, work function, etc.) by surface microscopy and complementary methods, using graphene/ruthenium as a model system. The body of work shows that in situ microscopy can be used as a powerful tool for achieving and probing a wide range of functionalities in 2D materials. C1 [Sutter, Peter; Sutter, Eli] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sutter, P (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM psutter@bnl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This research has been carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors gratefully acknowledge contributions to this research by postdocs and collaborators, including D. P. Acharya, P. Albrecht, M. Batzill, M.-L. Bocquet, R. Cortes, J. I. Flege, M. Hybertsen, F. Ivars-Barcelo, K. Kisslinger, E. Koren, J. Lahiri, G. Nazin, G. Nintzel, J. T. Sadowski, E. Vescovo, B. Wang, L. J. Wu, P. Zahl, and Y. Zhu. NR 114 TC 11 Z9 11 U1 6 U2 213 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2617 EP 2634 DI 10.1002/adfm.201203426 PG 18 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700011 ER PT J AU Tselev, A Lavrik, NV Kolmakov, A Kalinin, SV AF Tselev, Alexander Lavrik, Nickolay V. Kolmakov, Andrei Kalinin, Sergei V. TI Scanning Near-Field Microwave Microscopy of VO2 and Chemical Vapor Deposition Graphene SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE near-field microwave microscopy; vanadium dioxide; graphene ID ATOMIC-FORCE MICROSCOPY; NONLINEAR DIELECTRIC MICROSCOPY; PROBE; RESOLUTION; NANOPLATELETS; TRANSITIONS; RESISTANCE; RESONATOR; CELLS; TIP AB Near-field scanning microwave microscopy (SMM) is a near-field technique, which enables probing local electric properties of materials, i.e., complex permittivity. Recently, this technique was incorporated into a commercially available atomic force microscope (AFM), providing a new powerful imaging mode in the suite of AFM techniques. AFM probe-surface distance control allows routine acquisition of near-field microwave images with a lateral resolution better than 100 nm, which was previously unattainable. In this paper, work performed with an AFM-based SMM system at the Center for Nanophase Materials Sciences at ORNL is reviewed. As an introduction, a brief general overview of the near-field microwave microscopy is provided followed by a description of the SMM system. Application of the technique to studies of metal-insulator phase transition in single-crystalline nanoplatelets of vanadium dioxide is illustrated. Further, the capabilities of SMM in its application to imaging of conductivity inhomogeneities in single- and few-layer graphene samples grown via different chemical vapor deposition (CVD) routes is demonstrated. The imaging of graphene illustrates the specific nature of contrast in the SMM, where the signal is described by complex numbers. To facilitate the interpretation of the contrast, a simple graphical scheme inspired by standard Nyquist plots is proposed. C1 [Tselev, Alexander; Lavrik, Nickolay V.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kolmakov, Andrei] So Illinois Univ, Dept Phys, Carbondale, IL 62901 USA. RP Tselev, A (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM tseleva@ornl.gov RI Tselev, Alexander/L-8579-2015; Lavrik, Nickolay/B-5268-2011; Kalinin, Sergei/I-9096-2012; Kolmakov, Andrei/B-1460-2017 OI Tselev, Alexander/0000-0002-0098-6696; Lavrik, Nickolay/0000-0002-9543-5634; Kalinin, Sergei/0000-0001-5354-6152; Kolmakov, Andrei/0000-0001-5299-4121 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX 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. NR 49 TC 13 Z9 14 U1 10 U2 160 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2635 EP 2645 DI 10.1002/adfm.201203435 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700012 ER PT J AU Rose, V Wang, KK Chien, TY Hiller, J Rosenmann, D Freeland, JW Preissner, C Hla, SW AF Rose, Volker Wang, Kangkang Chien, Teyu Hiller, Jon Rosenmann, Daniel Freeland, John W. Preissner, Curt Hla, Saw-Wai TI Synchrotron X-Ray Scanning Tunneling Microscopy: Fingerprinting Near to Far Field Transitions on Cu(111) Induced by Synchrotron Radiation SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE characterization tools; X-ray spectroscopy; scanning tunneling microscopy; smart tips; nanostructures ID PROBE MICROSCOPY; SPECTROSCOPY; TIP; NANOSCIENCE AB The combination of the high spatial resolution of scanning tunneling microscopy with the chemical and magnetic contrast provided by synchrotron X-rays has the potential to allow a unique characterization of advanced functional materials. While the scanning probe provides the high spatial resolution, synchrotron X-rays that produce photo-excitations of core electrons add chemical and magnetic contrast. However, in order to realize the method's full potential it is essential to maintain tunneling conditions, even while high brilliance X-rays irradiate the sample surface. Different from conventional scanning tunneling microscopy, X-rays can cause a transition of the tip out of the tunneling regime. Monitoring the reaction of the z-piezo (the element that controls the tip to sample separation) alone is not sufficient, because a continuous tip current is obtained. As a solution, an unambiguous and direct way of fingerprinting such near to far field transitions of the tip that relies on the simultaneous analysis of the X-ray-induced tip and sample current is presented. This result is of considerable importance because it opens the path to the ultimate resolution in X-ray enhanced scanning tunneling microscopy. C1 [Rose, Volker; Chien, Teyu; Freeland, John W.; Preissner, Curt] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Rose, Volker; Wang, Kangkang; Rosenmann, Daniel; Hla, Saw-Wai] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Hiller, Jon] Argonne Natl Lab, Electron Microscopy Ctr, Argonne, IL 60439 USA. RP Rose, V (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vrose@anl.gov RI Rose, Volker/B-1103-2008 OI Rose, Volker/0000-0002-9027-1052 FU Office of Science Early Career Research Program through the Division of Scientific User Facilities, Office of Basic Energy Sciences of the U.S. Department of Energy [SC70705]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was funded by the Office of Science Early Career Research Program through the Division of Scientific User Facilities, Office of Basic Energy Sciences of the U.S. Department of Energy through Grant SC70705. Work at the Advanced Photon Source, the Center for Nanoscale Materials, and the Electron Microscopy Center was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH11357. NR 24 TC 11 Z9 11 U1 0 U2 31 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2646 EP 2652 DI 10.1002/adfm.201203431 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700013 ER PT J AU Al-Mahboob, A Fujikawa, Y Sakurai, T Sadowski, JT AF Al-Mahboob, Abdullah Fujikawa, Yasunori Sakurai, Toshio Sadowski, Jerzy T. TI Real-Time Microscopy of Reorientation Driven Nucleation and Growth in Pentacene Thin Films on Silicon Dioxide SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE monolayers; organic field-effect transistors; self-assembly; thin films ID CRYSTAL; ENERGY; TRANSISTORS; DENSITY; MOLECULES; SURFACES; EXCHANGE; ACCURATE; MOBILITY AB The role of molecular reorientation processes in the self-assembly of anisotropic molecules, such as pentacene (Pn) is studied utilizing a unique capability of low-energy electron microscopy (LEEM) for the real-time investigation of the film growth. In Pn film on SiO2, a layer-by-layer growth is observed, albeit different from the expected VolmerWeber growth mode typical for the systems with lower adhesion (weak interfacial interaction). The observed growth mechanism is also different than conventional concept of layer-by-layer, or Frank van der Merwe growth. In the Pn/SiO2 system the nucleation density decreases in each consecutive layer, at least up to four monolayers. This growth mechanism is hereafter named inverse Stranski-Krastanov growth. Furthermore, in this growth system the second layer islands nucleate preferentially at the domain boundaries formed by the interconnections of the bottom (first layer) domains. The top layer overgrows bottom layer with its own, initial in-plane crystal orientation, regardless of the in-plane orientations in underlying Pn domains. The dark-field LEEM imaging allows us to distinguish between Pn domains having different azimuthal direction of molecular tilt. LEEM intensity versus start voltage (LEEM IV) curves taken in the vicinity of mirror potential from the first and second layer Pn islands show that the surface potential of the second layer is higher by about 0.05 eV than that of the first layer, while the surface potentials for the epitaxial and non-epitaxial parts of the second layer island are identical. C1 [Al-Mahboob, Abdullah; Sadowski, Jerzy T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Fujikawa, Yasunori] Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Sakurai, Toshio] Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. RP Al-Mahboob, A (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM sadowski@bnl.gov RI Fujikawa, Yasunori/A-6527-2009; OI Sadowski, Jerzy/0000-0002-4365-7796 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors would like to thank Dr. Peter Sutter for stimulating discussions. Research carried out at the Center for Functional Nanomaterials and National Synchrotron Light Source, Brookhaven National Laboratory, which are supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 50 TC 14 Z9 14 U1 6 U2 75 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 28 PY 2013 VL 23 IS 20 SI SI BP 2653 EP 2660 DI 10.1002/adfm.201203427 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 145FH UT WOS:000318999700014 ER PT J AU Eyring, V Arblaster, JM Cionni, I Sedlacek, J Perliwitz, J Young, PJ Bekki, S Bergmann, D Cameron-Smith, P Collins, WJ Faluvegi, G Gottschaldt, KD Horowitz, LW Kinnison, DE Lamarque, JF Marsh, DR Saint-Martin, D Shindell, DT Sudo, K Szopa, S Watanabe, S AF Eyring, V. Arblaster, J. M. Cionni, I. Sedlacek, J. Perliwitz, J. Young, P. J. Bekki, S. Bergmann, D. Cameron-Smith, P. Collins, W. J. Faluvegi, G. Gottschaldt, K. D. Horowitz, L. W. Kinnison, D. E. Lamarque, J. F. Marsh, D. R. Saint-Martin, D. Shindell, D. T. Sudo, K. Szopa, S. Watanabe, S. TI Long-term ozone changes and associated climate impacts in CMIP5 simulations SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE CMIP5; stratospheric ozone; stratospheric temperature; zonal wind changes; troposheric ozone; chemistry-climate coupling ID GENERAL-CIRCULATION MODEL; STRATOSPHERIC TEMPERATURE TRENDS; EARTH SYSTEM MODEL; TROPOSPHERIC OZONE; ATMOSPHERIC CHEMISTRY; COUPLED MODEL; GISS MODELE; SEA-ICE; AEROSOLS; GAS AB Ozone changes and associated climate impacts in the Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations are analyzed over the historical (1960-2005) and future (2006-2100) period under four Representative Concentration Pathways (RCP). In contrast to CMIP3, where half of the models prescribed constant stratospheric ozone, CMIP5 models all consider past ozone depletion and future ozone recovery. Multimodel mean climatologies and long-term changes in total and tropospheric column ozone calculated from CMIP5 models with either interactive or prescribed ozone are in reasonable agreement with observations. However, some large deviations from observations exist for individual models with interactive chemistry, and these models are excluded in the projections. Stratospheric ozone projections forced with a single halogen, but four greenhouse gas (GHG) scenarios show largest differences in the northern midlatitudes and in the Arctic in spring (approximate to 20 and 40 Dobson units (DU) by 2100, respectively). By 2050, these differences are much smaller and negligible over Antarctica in austral spring. Differences in future tropospheric column ozone are mainly caused by differences in methane concentrations and stratospheric input, leading to approximate to 10 DU increases compared to 2000 in RCP 8.5. Large variations in stratospheric ozone particularly in CMIP5 models with interactive chemistry drive correspondingly large variations in lower stratospheric temperature trends. The results also illustrate that future Southern Hemisphere summertime circulation changes are controlled by both the ozone recovery rate and the rate of GHG increases, emphasizing the importance of simulating and taking into account ozone forcings when examining future climate projections. C1 [Eyring, V.; Gottschaldt, K. D.] Deutsch Zentrum Luft & Raumfahrt, Inst Phys Atomosphare, Oberpfaffenhofen, Germany. [Arblaster, J. M.] Bur Meteorol, Ctr Australian Weather & Climate Res, Melbourne, Vic, Australia. [Arblaster, J. M.; Kinnison, D. E.; Lamarque, J. F.; Marsh, D. R.] Natl Ctr Atmospher Res, Boulder, CO USA. [Cionni, I.] Energia Sviluppo Econ Sostenibile, Agenzia Nazl Nuove Tecnol, Bologna, Italy. [Sedlacek, J.] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Zurich, Switzerland. [Perliwitz, J.; Young, P. J.] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Perliwitz, J.; Young, P. J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO USA. [Bekki, S.; Szopa, S.] Inst Pierre Simon Laplace, Paris, France. [Bergmann, D.; Cameron-Smith, P.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Collins, W. J.] Met Off Hadely Ctr, Exeter, Devon, England. [Faluvegi, G.; Shindell, D. T.] NASA, Goddard Inst Space Studies, New York, NY USA. [Horowitz, L. W.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA. [Saint-Martin, D.] CNRM GAME, Toulouse, France. [Sudo, K.] Nagoya Univ, Grad Sch Environm Studies, Nagoya, Aichi, Japan. [Watanabe, S.] Japan Agcy Marine Earth Sci & Technol, Yokohama, Kanagawa, Japan. RP Eyring, V (reprint author), Deutsch Zentrum Luft & Raumfahrt, Inst Phys Atomosphare, Oberpfaffenhofen, Germany. EM veronika.eyring@dlr.de RI Eyring, Veronika/O-9999-2016; Watanabe, Shingo/L-9689-2014; Manager, CSD Publications/B-2789-2015; Perlwitz, Judith/B-7201-2008; Sedlacek, Jan/B-2819-2009; Szopa, Sophie/F-8984-2010; Collins, William/A-5895-2010; Shindell, Drew/D-4636-2012; Horowitz, Larry/D-8048-2014; Bergmann, Daniel/F-9801-2011; Young, Paul/E-8739-2010; Marsh, Daniel/A-8406-2008; Lamarque, Jean-Francois/L-2313-2014; Cameron-Smith, Philip/E-2468-2011; bekki, slimane/J-7221-2015; Arblaster, Julie/C-1342-2010 OI Eyring, Veronika/0000-0002-6887-4885; Watanabe, Shingo/0000-0002-2228-0088; Gottschaldt, Klaus/0000-0002-2046-6137; Perlwitz, Judith/0000-0003-4061-2442; Sedlacek, Jan/0000-0002-6742-9130; Szopa, Sophie/0000-0002-8641-1737; Collins, William/0000-0002-7419-0850; Horowitz, Larry/0000-0002-5886-3314; Bergmann, Daniel/0000-0003-4357-6301; Young, Paul/0000-0002-5608-8887; Marsh, Daniel/0000-0001-6699-494X; Lamarque, Jean-Francois/0000-0002-4225-5074; Cameron-Smith, Philip/0000-0002-8802-8627; bekki, slimane/0000-0002-5538-0800; Arblaster, Julie/0000-0002-4287-2363 NR 182 TC 79 Z9 80 U1 5 U2 60 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2013 VL 118 IS 10 BP 5029 EP 5060 DI 10.1002/jgrd.50316 PG 32 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229NB UT WOS:000325272000081 ER PT J AU Olson, R Sriver, R Chang, W Haran, M Urban, NM Keller, K AF Olson, R. Sriver, R. Chang, W. Haran, M. Urban, N. M. Keller, K. TI What is the effect of unresolved internal climate variability on climate sensitivity estimates? SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE climate sensitivity; internal climate variability; uncertainty; Gaussian process ID SYSTEM PROPERTIES; PARAMETER-ESTIMATION; POTENTIAL TEMPERATURE; MODEL DESCRIPTION; TIME-SERIES; SIMULATION; CALIBRATION; REGRESSION; ENSEMBLE; SEAWATER AB Many studies have attempted to estimate the equilibrium climate sensitivity (CS) to the doubling of CO(2)concentrations. One common methodology is to compare versions of Earth models of intermediate complexity (EMICs) to spatially and/or temporally averaged historical observations. Despite the persistent efforts, CS remains uncertain. It is, thus far, unclear what is driving this uncertainty. Moreover, the effects of the internal climate variability on the CS estimates obtained using this method have not received thorough attention in the literature. Using a statistical approximator (emulator) of an EMIC, we show in an observation system simulation study that unresolved internal climate variability appears to be a key driver of CS uncertainty (as measured by the 68% credible interval). We first simulate many realizations of pseudoobservations from an emulator at a true prescribed CS, and then reestimate the CS using the pseudoobservations and an inverse parameter estimation method. We demonstrate that a single realization of the internal variability can result in a sizable discrepancy between the best CS estimate and the truth. Specifically, the average discrepancy is 0.84 degrees C, with the feasible range up to several degrees C. The results open the possibility that recent climate sensitivity estimates from global observations and EMICs are systematically considerably lower or higher than the truth, since they are typically based on the same realization of climate variability. This possibility should be investigated in future work. We also find that estimation uncertainties increase at higher climate sensitivities, suggesting that a high CS might be difficult to detect. C1 [Olson, R.; Keller, K.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Sriver, R.] Univ Illinois, Dept Atmospher Sci, Urbana, IL USA. [Chang, W.; Haran, M.] Penn State Univ, Dept Stat, University Pk, PA 16802 USA. [Urban, N. M.] Los Alamos Natl Lab, Computat Phys & Methods CCS 2, Los Alamos, NM USA. [Keller, K.] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA. RP Olson, R (reprint author), Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. EM rzt2-wrk@psu.edu RI Keller, Klaus/A-6742-2013 FU NSF through the Network for Sustainable Climate Risk Management (SCRiM) [GEO-1240507]; NSF [SES-0949710]; Carnegie Mellon University [SES-0949710]; Office of Science, U.S. Department of Energy; Research Council of Norway FX We are very grateful to Chris Forest and Jim Kasting for generating insightful and useful ideas, and for their sagacious feedback on the scope and implementation of the project. This work was partially supported by NSF through the Network for Sustainable Climate Risk Management (SCRiM) under NSF cooperative agreement GEO-1240507, and through the Center for Climate and Energy Decision Making under the cooperative agreement SES-0949710 between the NSF and Carnegie Mellon University. We are grateful to Michael Eby and to the developers of UVic ESCM for providing the model and for discussions and advice. This study would not have been possible without the efforts of scientists who collected the observations used in this study. We acknowledge the modeling groups, the Program for Climate Model Diagnosis and Intercomparison (PCMDI) and the WCRP's Working Group on Coupled Modelling (WGCM) for their roles in making available the WCRP CMIP3 multi-model data set. Support of this data set is provided by the Office of Science, U.S. Department of Energy. This research uses data provided by the Bergen Climate Model (BCM) project (www.bcm.uib.no) at the Bjerknes Centre for Climate Research, largely funded by the Research Council of Norway. Furthermore, we thank the scientists at the Met Office Hadley Center, and Geophysical Fluid Dynamics Laboratory for producing the GCM output used in this study. All views, errors, and opinions are solely that of the authors. NR 57 TC 6 Z9 6 U1 0 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2013 VL 118 IS 10 BP 4348 EP 4358 DI 10.1002/jgrd.50390 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229NB UT WOS:000325272000031 ER PT J AU Wang, SY Buckley, BM Yoon, JH Fosu, B AF Wang, Shih-Yu Buckley, Brendan M. Yoon, Jin-Ho Fosu, Boniface TI Intensification of premonsoon tropical cyclones in the Bay of Bengal and its impacts on Myanmar SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE tropical cyclone; pre-monsoon; aerosol; Myanmar; climate change; extreme ID NORTH INDIAN-OCEAN; SUMMER MONSOON; GLOBAL PRECIPITATION; GAUGE OBSERVATIONS; VARIABILITY; REANALYSIS; ONSET; CLIMATOLOGY; AEROSOLS; GENESIS AB We analyze multiple global reanalysis and precipitation datasets in order to explain the dynamic mechanisms that lead to an observed intensification of the monsoon trough and associated tropical cyclone (TC) activity over the Bay of Bengal (BOB) during the premonsoon month of May. We find that post-1979 increases in both premonsoon precipitation and TC intensity are a result of enhanced large-scale monsoon circulation, characterized by lower-level cyclonic and upper-level anticyclonic anomalies. Such circulation anomalies are manifest of the tropospheric expansion that is caused by regional warming. The deepened monsoon trough in the BOB not only affects TC frequency and timing, but also acts to direct more cyclones towards Myanmar. We propose that increasing sea surface temperature in the BOB has contributed to an increase in cyclone intensity. Our analyses of the Community Earth System Model single-forcing experiments suggest that tropospheric warming and a deepening of the monsoon trough can be explained by two discreet anthropogenic causesan increase in absorption due to aerosol loading and an increase in the land-ocean thermal contrast that results from increased greenhouse gases. The ensuing circulation changes provide favorable conditions for TCs to grow and to track eastward towards Myanmar. C1 [Wang, Shih-Yu] Utah State Univ, Utah Climate Ctr, Logan, UT 84322 USA. [Wang, Shih-Yu; Fosu, Boniface] Utah State Univ, Dept Plants Soils & Climate, Logan, UT 84322 USA. [Buckley, Brendan M.] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY USA. [Yoon, Jin-Ho] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, SY (reprint author), 4820 Old Main Hill, Logan, UT 84341 USA. EM simon.wang@usu.edu RI YOON, JIN-HO/A-1672-2009 OI YOON, JIN-HO/0000-0002-4939-8078 FU NSF [GEO 09-08971]; Utah State University Agricultural Experiment Station [7685]; Office of Science of the U.S. Department of Energy; DOE [DE-AC05-76RL01830]; [NNX13AC37G] FX Insightful suggestion from L. Ruby Leung at PNNL is highly appreciated. This study was supported by Grant NNX13AC37G, NSF GEO 09-08971, and the Utah State University Agricultural Experiment Station (approved as journal paper number 8503 and as Lamont-Doherty Contribution No. 7685). J.-H. Yoon was supported by Office of Science of the U.S. Department of Energy as part of the Robust regional modeling project. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 51 TC 8 Z9 8 U1 3 U2 20 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2013 VL 118 IS 10 BP 4373 EP 4384 DI 10.1002/jgrd.50396 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229NB UT WOS:000325272000033 ER PT J AU Comstock, JM Protat, A McFarlane, SA Delanoe, J Deng, M AF Comstock, Jennifer M. Protat, Alain McFarlane, Sally A. Delanoe, Julien Deng, Min TI Assessment of uncertainty in cloud radiative effects and heating rates through retrieval algorithm differences: Analysis using 3 years of ARM data at Darwin, Australia SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE Cloud radiative process; Ice cloud retrieval algorithms; Cloud radiative effect ID ICE WATER-CONTENT; DOPPLER RADAR MEASUREMENTS; PARTICLE TERMINAL VELOCITIES; IN-SITU DATA; CIRRUS CLOUDS; MICROPHYSICAL PROPERTIES; RADIOMETER MEASUREMENTS; STATISTICAL PROPERTIES; LIDAR OBSERVATIONS; VERTICAL PROFILES AB Ground-based radar and lidar observations obtained at the Department of Energy's Atmospheric Radiation Measurement Program's Tropical Western Pacific site located in Darwin, Australia, are used to retrieve ice cloud properties in anvil and cirrus clouds. Cloud microphysical properties derived from four different retrieval algorithms (two radar-lidar and two radar-only algorithms) are compared by examining mean profiles and probability density functions of effective radius (R-e), ice water content (IWC), visible extinction coefficient, ice number concentration, ice crystal fall speed, and vertical air velocity. Retrieval algorithm uncertainty is quantified using radiative flux closure exercises. The effect of uncertainty in retrieved quantities on the cloud radiative effect and radiative heating rates is presented. Our analysis shows that IWC compares well among algorithms, but R-e shows significant discrepancies, which are attributed primarily to assumptions of particle shape. Uncertainty in R-e and IWC translates into sometimes large differences in cloud shortwave radiative effect (CRE) though the majority of cases have a CRE difference of roughly 10 W m(-2) on average. These differences, which we believe are primarily driven by the uncertainty in R-e, can cause up to 2 K/d difference in the radiative heating rates between algorithms. C1 [Comstock, Jennifer M.; McFarlane, Sally A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Protat, Alain] Ctr Australian Weather & Climate Res, Melbourne, Vic, Australia. [Delanoe, Julien] Univ Versailles St Quentin, Inst Pierre Simon Laplace, Lab Atmospheres Milieux & Observat Spatiales LATM, Guyancourt, France. [Deng, Min] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. RP Comstock, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jennifer.comstock@pnnl.gov FU DOE Atmospheric System Research Program; NASA Energy and Water Cycle Study (NEWS); CNES (Centre National d'Etudes Spatiales) FX This research was supported by the DOE Atmospheric System Research Program and data used in the study were obtained by the DOE Atmospheric Radiation Measurement Program. The PNNL authors were also partly funded by the NASA Energy and Water Cycle Study (NEWS). Julien Delanoe's research is partly funded by CNES (Centre National d'Etudes Spatiales). We wish to thank Mandy Khaiyer for assistance in obtaining and utilizing the satellite flux data and Chuck Long for providing his radiative flux analysis data set. We also wish to thank three anonymous reviewers for their insightful comments that have helped to improve the presentation of the results. NR 63 TC 11 Z9 11 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2013 VL 118 IS 10 BP 4549 EP 4571 DI 10.1002/jgrd.50404 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229NB UT WOS:000325272000046 ER PT J AU Ma, PL Rasch, PJ Wang, HL Zhang, K Easter, RC Tilmes, S Fast, JD Liu, XH Yoon, JH Lamarque, JF AF Ma, Po-Lun Rasch, Philip J. Wang, Hailong Zhang, Kai Easter, Richard C. Tilmes, Simone Fast, Jerome D. Liu, Xiaohong Yoon, Jin-Ho Lamarque, Jean-Francois TI The role of circulation features on black carbon transport into the Arctic in the Community Atmosphere Model version 5 (CAM5) SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE circulation; BC; transport; Arctic; CAM5 ID NORTH-ATLANTIC OSCILLATION; AIR-POLLUTION TRANSPORT; TROPOSPHERIC OZONE; CLIMATE MODEL; AEROSOLS; DISTRIBUTIONS; VARIABILITY; TRACERS; SYSTEM; WINTER AB Current climate models generally underpredict the surface concentration of black carbon (BC) in the Arctic due to the uncertainties associated with emissions, transport, and removal. This bias is also present in the Community Atmosphere Model version 5.1 (CAM5). In this study, we investigate the uncertainty of Arctic BC due to transport processes simulated by CAM5 by configuring the model to run in an off-line mode in which the large-scale circulation features are prescribed. We compare the simulated BC transport when the off-line model is driven by the meteorology predicted by the standard free-running CAM5 with simulations where the meteorology is constrained to agree with reanalysis products. Some circulation biases are apparent: the free-running CAM5 produces about 50% less transient eddy transport of BC than the reanalysis-driven simulations, which may be attributed to the coarse model resolution insufficient to represent eddies. Our analysis shows that the free-running CAM5 reasonably captures the essence of the Arctic Oscillation (AO), but some discernable differences in the spatial pattern of the AO between the free-running CAM5 and the reanalysis-driven simulations result in significantly different AO modulation of BC transport over northeast Asia and eastern Europe. Nevertheless, we find that the overall climatological circulation patterns simulated by the free-running CAM5 generally resemble those from the reanalysis products, and BC transport is very similar in both simulation sets. Therefore, the simulated circulation features regulating the long-range BC transport are unlikely the most important cause of the large underprediction of surface BC concentration in the Arctic. C1 [Ma, Po-Lun; Rasch, Philip J.; Wang, Hailong; Zhang, Kai; Easter, Richard C.; Fast, Jerome D.; Liu, Xiaohong; Yoon, Jin-Ho] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Tilmes, Simone; Lamarque, Jean-Francois] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. RP Ma, PL (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM Po-Lun.Ma@pnnl.gov RI Wang, Hailong/B-8061-2010; Liu, Xiaohong/E-9304-2011; Lamarque, Jean-Francois/L-2313-2014; Ma, Po-Lun/G-7129-2015; Zhang, Kai/F-8415-2010 OI Wang, Hailong/0000-0002-1994-4402; Liu, Xiaohong/0000-0002-3994-5955; Lamarque, Jean-Francois/0000-0002-4225-5074; Ma, Po-Lun/0000-0003-3109-5316; Zhang, Kai/0000-0003-0457-6368 FU National Science Foundation (NSF); Office of Science (BER), U.S. Department of Energy; Battelle Memorial Institute [DE-AC06-76RLO 1830] FX The ERA-Interim data are obtained from Research Data Archive (RDA) which is maintained by the Computational and Information Systems Laboratory (CISL) at the National Center for Atmospheric Research (NCAR). NCAR is sponsored by the National Science Foundation (NSF). The MISR AOT data used in this study are obtained from the Giovanni online data system, developed and maintained by the NASA GES DISC. This study is supported by the Office of Science (BER), U.S. Department of Energy. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 57 TC 20 Z9 20 U1 2 U2 14 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2013 VL 118 IS 10 BP 4657 EP 4669 DI 10.1002/jgrd.50411 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229NB UT WOS:000325272000052 ER PT J AU Lotfi, H Hinkey, RT Li, L Yang, RQ Klem, JF Johnson, MB AF Lotfi, Hossein Hinkey, Robert T. Li, Lu Yang, Rui Q. Klem, John F. Johnson, Matthew B. TI Narrow-bandgap photovoltaic devices operating at room temperature and above with high open-circuit voltage SO APPLIED PHYSICS LETTERS LA English DT Article ID THERMOPHOTOVOLTAIC DEVICES; EFFICIENCY; CONVERSION; LIMIT AB Narrow-bandgap (< 0.25 eV) photovoltaic (PV) devices are demonstrated at room temperature and above. These PV devices are based on interband cascade (IC) structures and can achieve a high open-circuit voltage (similar to 0.65V at 300 K) that significantly exceeds the single bandgap limited value. This work demonstrates the capabilities and advantages of ICPV devices designed to effectively convert long wavelength (>5 mu m) infrared photons from relatively low-temperature radiation sources (<1000 K) into electricity. Detailed characteristics of these PV devices are presented and discussed. (C) 2013 AIP Publishing LLC. C1 [Lotfi, Hossein; Hinkey, Robert T.; Li, Lu; Yang, Rui Q.] Univ Oklahoma, Sch Elect & Comp Engn, Norman, OK 73019 USA. [Hinkey, Robert T.; Johnson, Matthew B.] Univ Oklahoma, Homer L Dodge Dept Phys, Norman, OK 73019 USA. [Klem, John F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lotfi, H (reprint author), Univ Oklahoma, Sch Elect & Comp Engn, Norman, OK 73019 USA. RI li, lu/C-6965-2012 FU DoE EPSCoR program [DE-SC0004523]; C-SPIN; Oklahoma/Arkansas MRSEC [DMR-0520550]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We are grateful to Joel C. Keay, Lihua Zhao, and Chao Niu for technical assistance. This work was supported in part by DoE EPSCoR program (Award No. DE-SC0004523), and by C-SPIN, the Oklahoma/Arkansas MRSEC (DMR-0520550). 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 21 TC 6 Z9 7 U1 0 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 27 PY 2013 VL 102 IS 21 AR 211103 DI 10.1063/1.4807938 PG 4 WC Physics, Applied SC Physics GA 167GV UT WOS:000320620400003 ER PT J AU Majety, S Li, J Zhao, WP Huang, B Wei, SH Lin, JY Jiang, HX AF Majety, S. Li, J. Zhao, W. P. Huang, B. Wei, S. H. Lin, J. Y. Jiang, H. X. TI Hexagonal boron nitride and 6H-SiC heterostructures SO APPLIED PHYSICS LETTERS LA English DT Article ID SUBSTRATE; PRESSURE; EMISSION; EPITAXY AB Hexagonal boron nitride (hBN) epilayers were grown on n-type 6H-SiC substrates via metal organic chemical vapor deposition. X-ray diffraction measurements confirmed that the epilayers are of single hexagonal phase. Photoluminescence (PL) studies revealed a dominant band edge emission at around 5.5 eV, similar to the PL spectra of hBN epilayers grown on sapphire. The current-voltage (I-V) characteristics of the hBN/6H-SiC heterostructure were measured and the results were utilized to determine the band offsets of the hBN/6H-SiC heterojunctions. The analysis yielded the conduction and valence band offsets (Delta E-C and Delta E-V) of the hBN/6H-SiC heterointerface of about 2.3 and 0.7 (+/-0.2) eV, respectively, giving a Delta E-C/Delta E-g value of around 76%. The measured band offsets are in reasonable agreement with values deduced from the band alignments between hBN, AlN, and 6H-SiC obtained from independent experimental data and theoretical calculations. (C) 2013 AIP Publishing LLC. C1 [Majety, S.; Li, J.; Zhao, W. P.; Lin, J. Y.; Jiang, H. X.] Texas Tech Univ, Dept Elect & Comp Engn, Lubbock, TX 79409 USA. [Huang, B.; Wei, S. H.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Majety, S (reprint author), Texas Tech Univ, Dept Elect & Comp Engn, Lubbock, TX 79409 USA. EM hx.jiang@ttu.edu RI Huang, Bing/D-8941-2011; Lin, Jingyu/A-7276-2011; Jiang, Hongxing/F-3635-2011; Li, Jing/B-7828-2015 OI Huang, Bing/0000-0001-6735-4637; Lin, Jingyu/0000-0003-1705-2635; Jiang, Hongxing/0000-0001-9892-4292; Li, Jing/0000-0003-2880-7933 FU DHS ARI Program [2011-DN-077-ARI048]; ATT Foundation FX We acknowledge the assistance of PL measurement by X. K. Cao. The device fabrication effort is supported by DHS ARI Program (2011-DN-077-ARI048) and the measurements and data analysis efforts for the band offset determination are supported by DOE (DE-FG02-09ER46552). Jiang and Lin are grateful to the AT&T Foundation for the support of Ed Whitacre and Linda Whitacre Endowed chairs. NR 20 TC 12 Z9 12 U1 1 U2 55 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 27 PY 2013 VL 102 IS 21 AR 213505 DI 10.1063/1.4808365 PG 4 WC Physics, Applied SC Physics GA 167GV UT WOS:000320620400082 ER PT J AU Murphy, RD Torralva, B Adams, DP Yalisove, SM AF Murphy, Ryan D. Torralva, Ben Adams, David P. Yalisove, Steven M. TI Laser-induced periodic surface structure formation resulting from single-pulse ultrafast irradiation of Au microstructures on a Si substrate SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYSTALLINE SILICON; FEMTOSECOND; ABLATION; DAMAGE; SOLIDS AB We have observed laser-induced periodic surface structure (LIPSS) formation with sub-micron periodicities after single-pulse ultrafast irradiation of isolated, 110 nm-tall Au microstructures on Si substrates. Fresnel diffraction patterns are established on both the structure surface and surrounding Si substrate when light is scattered by feature edges, and the resultant intensity distribution is partially responsible for LIPSS formation. LIPSS form for any in-plane, laser polarization orientation with respect to surface feature edges, although the LIPSS amplitude varies with the orientation. This explains the formation of LIPSS patterns having different wavevectors and amplitudes after multi-pulse irradiation of initially smooth surfaces. (C) 2013 AIP Publishing LLC. C1 [Murphy, Ryan D.] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. [Torralva, Ben] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Adams, David P.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Yalisove, Steven M.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Murphy, RD (reprint author), Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. FU Defense Threat Reduction Agency [IACRO 10-4257I]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Defense Threat Reduction Agency, Basic Research Award No. IACRO 10-4257I. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 30 TC 8 Z9 8 U1 3 U2 49 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 27 PY 2013 VL 102 IS 21 AR 211101 DI 10.1063/1.4807830 PG 4 WC Physics, Applied SC Physics GA 167GV UT WOS:000320620400001 ER PT J AU Neuner, B Wu, CH Ten Eyck, G Sinclair, M Brener, I Shvets, G AF Neuner, Burton, III Wu, Chihhui Ten Eyck, Gregory Sinclair, Michael Brener, Igal Shvets, Gennady TI Efficient infrared thermal emitters based on low-albedo polaritonic meta-surfaces SO APPLIED PHYSICS LETTERS LA English DT Article ID MICROSCOPY; PHOTONICS; ARRAYS AB A low-albedo all-semiconductor meta-surface with spectrally selective absorption peaks is demonstrated. By engineering the dimensions and shapes of the semiconductor antennas comprising the meta-surface, simultaneous reduction of reflectivity and enhancement of absorption are accomplished by controlling their electric and magnetic resonances. Thermal emissivity of the silicon carbide-based meta-surface is experimentally measured and found in agreement with both absorption measurements and theoretical predictions. (C) 2013 AIP Publishing LLC. C1 [Neuner, Burton, III; Wu, Chihhui; Shvets, Gennady] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Ten Eyck, Gregory; Sinclair, Michael; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Neuner, B (reprint author), Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. EM gena@physics.utexas.edu FU Sandia National Laboratories New Mexico; U.S. Air Force Office of Scientific Research (AFOSR) MURI [FA-9550-08-1-0394]; Office of Naval Research (ONR) [N00014-10-1-0929] FX This work was supported by Sandia National Laboratories New Mexico, the U.S. Air Force Office of Scientific Research (AFOSR) MURI Grant No. FA-9550-08-1-0394, and by the Office of Naval Research (ONR) Grant No. N00014-10-1-0929. NR 21 TC 13 Z9 13 U1 0 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 27 PY 2013 VL 102 IS 21 AR 211111 DI 10.1063/1.4808086 PG 4 WC Physics, Applied SC Physics GA 167GV UT WOS:000320620400011 ER PT J AU Osofsky, MS Cheng, L Bailey, WE Bussmann, K Parker, D AF Osofsky, M. S. Cheng, L. Bailey, W. E. Bussmann, K. Parker, D. TI Measurement of the transport spin polarization of FeV using point-contact Andreev reflection SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; THIN-FILMS; MAGNETORESISTANCE; JUNCTIONS; MOMENTS AB The Fe1-xVx alloy system exhibits the lowest known Gilbert relaxation rate of any ferromagnetic metal or binary alloy with G = 35 MHz at x = 27% V. Low relaxation rates are of particular interest in modern spin electronic applications involving spin torque. The transport spin polarization of a series of sputtered epitaxial Fe1-xVx samples was measured using point contact Andreev reflection. Values of the transport spin polarization agree well with those measured for pure Fe and are independent of composition. The results indicate that the substitution of up to 50% of V for Fe does not reduce the spin polarization in the alloy. (C) 2013 AIP Publishing LLC. C1 [Osofsky, M. S.; Bussmann, K.] USN, Res Lab, Mat & Sensors Branch, Washington, DC 20375 USA. [Cheng, L.; Bailey, W. E.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Parker, D.] Oak Ridge Natl Lab, Adv Mat Grp, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Osofsky, MS (reprint author), USN, Res Lab, Mat & Sensors Branch, Washington, DC 20375 USA. FU National Science Foundation [U.S. NSF-ECCS-0925829]; Army Research Office [DAW911NF-07-1-0326]; ORNL LDRD SEED program [S12-006] FX The authors wish to acknowledge I. Mazin for discussions on the LAPW calculation and for providing the PCAR fitting routine. We also acknowledge K. Jensen for modifying the fitting routine. W. E. B. acknowledges the National Science Foundation (Grant No. U.S. NSF-ECCS-0925829) and the Army Research Office (Grant No. DAW911NF-07-1-0326) for support. D. P. acknowledges the financial support of the ORNL LDRD SEED program project S12-006, "Rare-Earth-Free Magnets: Compute, Create, Characterize". NR 27 TC 3 Z9 3 U1 2 U2 21 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 27 PY 2013 VL 102 IS 21 AR 212412 DI 10.1063/1.4808209 PG 4 WC Physics, Applied SC Physics GA 167GV UT WOS:000320620400051 ER PT J AU Stebner, AP Brown, DW Brinson, LC AF Stebner, A. P. Brown, D. W. Brinson, L. C. TI Measurement of elastic constants of monoclinic nickel-titanium and validation of first principles calculations SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYSTAL-STRUCTURE; TEXTURE ANALYSIS; NITI; MARTENSITE; DEFORMATION; DIFFRACTION; MODULI; TINI AB Polycrystalline, monoclinic nickel-titanium specimens were subjected to tensile and compressive deformations while neutron diffraction spectra were recorded in situ. Using these data, orientation-specific and macroscopic Young's moduli are determined from analysis of linear-elastic deformation exhibited by 13 unique orientations of monoclinic lattices and their relationships to each macroscopic stress and strain. Five of 13 elastic compliance constants are also identified: s(11) = 1.15, s(15) = -1.10, s(22) = 1.34, s(33) = 1.06, s(35) = -1.54, all x 10(-2) GPa(-1). Through these results, recent atomistic calculations of monoclinic nickel-titanium elastic constants are validated. (C) 2013 AIP Publishing LLC. C1 [Stebner, A. P.; Brinson, L. C.] Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. [Brown, D. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Brinson, L. C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Stebner, AP (reprint author), Colorado Sch Mines, Dept Mech Engn, Golden, CO 80401 USA. EM astebner@mines.edu RI Brinson, L. Catherine/B-6678-2009; Stebner, Aaron/A-7685-2015; Brinson, L Catherine/B-1315-2013 OI Brinson, L Catherine/0000-0003-2551-1563 FU Office of Basic Energy Sciences of the Department of Energy under DOE [DE-AC52-06NA25396]; Toshio Mura Endowment, Predictive Science and Engineering Design Cluster at Northwestern (PSED), Initiative for Sustainability and Energy at Northwestern (ISEN); Army Research Office [W911NF-12-1-0013/P00002] FX We thank Thomas Sisneros and Bjorn Clausen of LANL for experimental assistance and Ron Noebe of NASA Glenn Research Center for providing the NiTi specimens. This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences of the Department of Energy under DOE Contract No. DE-AC52-06NA25396. A.S. acknowledges funding through fellowships from the Toshio Mura Endowment, Predictive Science and Engineering Design Cluster at Northwestern (PSED), Initiative for Sustainability and Energy at Northwestern (ISEN). A.S. and C.B. acknowledge the support of the Army Research Office, Grant No. W911NF-12-1-0013/P00002. NR 22 TC 8 Z9 8 U1 1 U2 30 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 27 PY 2013 VL 102 IS 21 AR 211908 DI 10.1063/1.4808040 PG 5 WC Physics, Applied SC Physics GA 167GV UT WOS:000320620400024 ER PT J AU de Jong, WA Walker, AM Hanwell, MD AF de Jong, Wibe A. Walker, Andrew M. Hanwell, Marcus D. TI From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language SO JOURNAL OF CHEMINFORMATICS LA English DT Article DE Chemical Markup Language; FoX; NWChem; Avogadro; Computational chemistry ID COMPUTATIONAL CHEMISTRY; EMINERALS PROJECT; SCALE SIMULATIONS; BASIS-SET; CML; XML; WEB; REPOSITORIES; INFORMATION; PLATFORM AB Background: Multidisciplinary integrated research requires the ability to couple the diverse sets of data obtained from a range of complex experiments and computer simulations. Integrating data requires semantically rich information. In this paper an end-to-end use of semantically rich data in computational chemistry is demonstrated utilizing the Chemical Markup Language (CML) framework. Semantically rich data is generated by the NWChem computational chemistry software with the FoX library and utilized by the Avogadro molecular editor for analysis and visualization. Results: The NWChem computational chemistry software has been modified and coupled to the FoX library to write CML compliant XML data files. The FoX library was expanded to represent the lexical input files and molecular orbitals used by the computational chemistry software. Draft dictionary entries and a format for molecular orbitals within CML CompChem were developed. The Avogadro application was extended to read in CML data, and display molecular geometry and electronic structure in the GUI allowing for an end-to-end solution where Avogadro can create input structures, generate input files, NWChem can run the calculation and Avogadro can then read in and analyse the CML output produced. The developments outlined in this paper will be made available in future releases of NWChem, FoX, and Avogadro. Conclusions: The production of CML compliant XML files for computational chemistry software such as NWChem can be accomplished relatively easily using the FoX library. The CML data can be read in by a newly developed reader in Avogadro and analysed or visualized in various ways. A community-based effort is needed to further develop the CML CompChem convention and dictionary. This will enable the long-term goal of allowing a researcher to run simple "Google-style" searches of chemistry and physics and have the results of computational calculations returned in a comprehensible form alongside articles from the published literature. C1 [de Jong, Wibe A.] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA. [Walker, Andrew M.] Univ Bristol, Sch Earth Sci, Bristol BS8 1RJ, Avon, England. [Hanwell, Marcus D.] Kitware Inc, Dept Sci Comp, Clifton Pk, NY 12065 USA. RP de Jong, WA (reprint author), Pacific NW Natl Lab, EMSL, POB 999, Richland, WA 99352 USA. EM bert.dejong@pnnl.gov RI DE JONG, WIBE/A-5443-2008; Walker, Andrew/C-1599-2008; OI DE JONG, WIBE/0000-0002-7114-8315; Walker, Andrew/0000-0003-3121-3255; Hanwell, Marcus/0000-0002-5851-5272 FU EMSL; U.S. Department of Energy's (DOE) Office of Biological and Environmental Research; DOE [DE-AC06-76RLO-1830]; European Research Council under the European Union's Seventh Framework Programme (FP7)/ERC Grant [240473]; US Army Engineer Research and Development Center [W912HZ-12-C-0005] FX A portion of the research was supported by EMSL, a national scientific user facility sponsored by the U.S. Department of Energy's (DOE) Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the DOE by the Battelle Memorial Institute under contract DE-AC06-76RLO-1830. This work has also received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement number 240473 "CoMITAC". MDH would like to thank the US Army Engineer Research and Development Center for funding under contract W912HZ-12-C-0005. NR 43 TC 6 Z9 6 U1 0 U2 24 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1758-2946 J9 J CHEMINFORMATICS JI J. Cheminformatics PD MAY 24 PY 2013 VL 5 AR 25 DI 10.1186/1758-2946-5-25 PG 12 WC Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Chemistry; Computer Science GA 179GW UT WOS:000321508900001 PM 23705910 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Aguilo, E Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Pernicka, M Rabady, D Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Luyckx, S Mucibello, L Ochesinu, S Roland, B Rougny, R Selvaggi, M Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyvveert, S D'Hondt, J Suarez, RG Kalogeropoulos, A Maes, M Olbrechts, A Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Clerbaux, B De Lentdecker, G Dero, V Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Reis, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Cimmino, A Costantini, S Garcia, G Grunewald, M Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, E Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Bruno, G Castello, R Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins , MC Martins, T Pol, ME Souza, MHG Alda , WL Carvalho, W Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santoro, A Jorge, LS Sznajder, A Pereira, AV Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, F Mercadante, PG Novaes, SF Padula, SS Genchey, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Zang, J Zhang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, Q Li, W Liu, S Mao, Y Qian, SJ Wang, D Zhang, L Zou, W Avila, C Montoya, CAC Gomez, JP Moreno, BG Oliveros, AFO Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Brigljevic, V Duric, S Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Galanti, M Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Assran, Y Elgammal, S Kamel, AE Awad, AMK Mahmoud, MA Radi, A Kadastik, M Muntel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Heikkinen, A Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Manpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Ungaro, D Wendland, L Korpela, A Tuuva, T Besancon, M Choudhury, S Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Millischer, L Nayak, A Rander, J Rosowsky, A Titov, M Baffioni, S Beaudette, F Benhabib, L Bianchini, L Bluj, M Busson, R Chariot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L Florent, A de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Naranjo, IN Nguyen, M Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Bodin, D Brom, JM Cardaci, M Chabert, EC Collard, C Conte, E Drouhin, F Fontaine, JC Gele, D Goerlach, U Juillot, P Le Bihan, AC Van Hove, P Beauceron, S Beaupere, N Bondu, O Boudoul, G Brochet, S Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Perries, S Sgandurra, L Sordini, V Tschudi, Y Verdier, P Viret, S Tsamalaidze, Z Autermann, C Beranek, S Calpas, B Edelhoff, M Feld, L Heracleous, N Hindrichs, O Jussen, R Klein, K Merz, J Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Wittmer, B Zhukov, V Ata, M Caudron, J Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Guth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Padeken, K Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Thuer, S Weber, M Bontenackels, M Cherepanov, V Erdogan, Y Flugge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Lingemann, J Nowack, A Nugent, IM Perchalla, L Pooth, . 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CA CMS Collaboration TI Search for a Higgs boson decaying into a b-quark pair and produced in association with b quarks in proton-proton collisions at 7 TeV SO PHYSICS LETTERS B LA English DT Article DE CMS; Physics; Higgs; MSSM ID BENCHMARK SCENARIOS; STANDARD MODEL; MSSM; LHC; PARTICLE; MASSES; LEVEL AB A search for a neutral Higgs boson decaying to a pair of b quarks, and produced in association with at least one additional b quark, is presented. Multijet final states with three jets identified as originating from b quarks, at least one of which may include a non-isolated muon, are studied. The data used in this analysis correspond to an integrated luminosity of 2.7-4.8 fb(-1), collected by the CMS experiment in proton-proton collisions at the LHC at a center-of-mass energy of 7 TeV. This search is particularly sensitive to Higgs bosons in scenarios of the Minimal Supersymmetric Model (MSSM) with large values of tan beta. No excess over the predicted background from standard model processes is observed. Stringent upper limits on cross section times branching fraction are derived and interpreted as bounds in the MSSM tan beta and m(A) parameter-space. Observed 95% confidence level upper limits reach as low as tang beta approximate to 18 for M-A approximate to 100 GeV. (c) 2013 CERN. Published by Elsevier B.V. All rights. reserved. C1 [CMS Collaboration] CERN, CH-1211 Geneva 23, Switzerland. [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Aguilo, E.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. 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M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, E.; Perrotta, A.; Primavera, E.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] INFN Sez Bologna, Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Montanari, A.; Navarria, F. L.; Primavera, E.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] INFN Sez Catania, Catania, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Adler, V.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] INFN Sez Firenze, Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Meschini, M.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Colafranceschi, S.; Fabbri, F.; Piccolo, D.] INFN Lab Nazionali Frascati, Frascati, Italy. [Fabbricatore, P.; Musenich, R.; Tosi, S.] INFN Sez Genova, Genoa, Italy. [Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] INFN Sez Milano Bicocca, Milan, Italy. [De Guio, F.; Di Matteo, L.; Fiorendi, S.; Ghezzi, A.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] INFN Sez Napoli, Naples, Italy. [De Cosa, A.; Dogangun, O.; Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zotto, R.; Zucchetta, A.; Zumerle, G.] INFN Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Gasparini, F.; Gasparini, U.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, R.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento Trento, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, R.] INFN Sez Pavia, Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, R.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Taroni, S.; Musienko, Y.] INFN Sez Perugia, Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Taroni, S.; Musienko, Y.] Univ Perugia, Perugia, Italy. [Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, E.; Rizzi, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] INFN Sez Pisa, Pisa, Italy. [Fiori, F.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Azzurri, P.; Broccolo, G.; D'Agnolo, R. T.; Foa, L.; Ligabue, F.; Rolandi, G.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Fanelli, C.; Grassi, M.; Longo, E.; Meridiani, P.; Micheli, E.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Soffi, L.; Rovelli, C.] INFN Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Fanelli, C.; Grassi, M.; Longo, E.; Micheli, E.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.; Staiano, A.] INFN Sez Torino, Turin, Italy. [Amapane, N.; Argiro, S.; Casasso, S.; Costa, M.; Migliore, E.; Monaco, V.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.] INFN Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Kim, D. H.; Kim, G. N.; Kong, D. J.; Park, H.; Son, D. C.; Son, T.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, Ks.; Moon, D. H.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de la Cruz, I.; Lopez-Fernandez, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Bell, A. J.; Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Bunin, P.; Golutvin, I.; Gorbunov, I.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Shulha, S.; Smirnov, V.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Evstyukhin, S.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Kossov, M.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Shreyber, I.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Katkov, I.; Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Popov, A.; Sarycheva, L.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Vinca Inst Nucl Sci, Fac Phys, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Santaolalla, J.; Soares, M. S.; Willmott, C.] CIEMAT, E-28040 Madrid, Spain. [Albajar, C.; Codispoti, G.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Piedra Gomez, J.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Jorda, C.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] CSIC Univ Cantabria, Inst Fis Cantabria IFCA, Santander, Spain. [Rabady, D.; Genchey, V.; Iaydjiev, P.; Puljak, I.; Chierici, R.; Lingemann, J.; Guthoff, M.; Hartmann, E.; Hauth, T.; Mohanty, A. K.; Calabria, C.; De Filippis, N.; Meneghelli, M.; Di Matteo, L.; Gennai, S.; De Cosa, A.; Merola, M.; Paolucci, P.; Bacchetta, N.; Branca, A.; D'Agnolo, R. T.; Fiori, F.; Squillacioti, P.; Grassi, M.; Meridiani, P.; Mariotti, C.; Musich, M.; Marone, M.; Montanino, D.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; D'Enterria, D.; Dabrowski, A.; De Roeck, A.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Frisch, B.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Govoni, P.; Gowdy, S.; Guida, R.; Gundacker, S.; Hammer, J.; Hansen, M.; Harris, P.; Hartl, C.; Harvey, J.; Hegner, B.; Hinzmann, A.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Kousouris, K.; Lecoq, P.; Lee, Y. -J.; Lenzi, P.; Lourenco, C.; Magini, N.; Maeki, T.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mulders, M.; Musella, P.; Nesvold, E.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rovelli, C.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Abdulsalam, A.; Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Baeni, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Eugster, J.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Mohr, N.; Moortgat, F.; Naegeli, C.; Nef, R.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, H. A.; Wehrli, L.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Tupputi, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Chang, Y. H.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Singh, A. P.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wan, X.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Simili, E.; Srimanobhas, N.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Karaman, T.; Karapinar, G.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, L. N.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Guelmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yuecel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L. .; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Worm, S. D.; Newbold, D. M.; Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Ball, G.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Stoye, M.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Hatakeyama, K.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De la Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Dolen, J.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Mall, O.; Miceli, T.; Pellett, D.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Sierra, R. Vasquez; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Babb, J.; Clare, R.; Dinardo, M. E.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Liu, H.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidaglo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Kalavase, P.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Villalba, R. Magania; Mccoll, N.; Pavlunin, V.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Gataullin, M.; Kcira, D.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Kodolova, O.; Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Smith, J. G.; Stenson, K.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Heitsley, B.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Green, D.; Gutsche, O.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kunori, S.; Kwan, S.; Leonidopoulos, C.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, Lk.; Gartner, J.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Park, M.; Remington, R.; Rinkevicius, A.; Sellers, P.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Vodopiyanov, I.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Lacroix, F.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Duru, F.; Griffiths, S.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Norbeck, E.; Onel, Y.; Ozok, K.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Tinti, G.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Peterman, A.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Kim, Y.; Klute, M.; Krajczar, K.; Levin, A.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Cooper, S. I.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Berry, D.; Brinkerhoff, A.; Chan, K. M.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Vuosalo, C.; Williams, G.; Winer, B. L.] Ohio State Univ, Columbus, OH USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Pegna, D. Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, R.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Barnes, V. E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Laasanen, A. T.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Guragain, S.; Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Boulahouache, C.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Chung, Y. S.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Rose, K.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Sengupta, S.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Jeong, C.; Kovitanggoon, K.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. G.; Florez, C.; Greene, S.; Johns, Gurrola W.; Kurt, P.; Maguire, C.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN USA. [Arenton, M. W.; Balazs, M.; Cox, B.; Francis, B.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sakharov, A.] Wayne State Univ, Detroit, MI USA. [Anderson, M.; Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Friis, E.; Gray, L.; Grogg, K. S.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Lazaridis, C.; Loveless, R.; Mohapatra, A.; Mozer, M. U.; Ojalvo, I.; Palmonari, F.; Ross, I.; Savin, A.; Smith, W. H.; Swanson, J.] Univ Wisconsin, Madison, WI USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Assran, Y.] Suez Canal Univ, Suez, Egypt. [Elgammal, S.] Zewail City Sci & Technol, Zewail, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Awad, A. M. Kuotb; Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Radi, A.] British Univ Egypt, Cairo, Egypt. [Radi, A.] Ain Shams Univ, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Drouhin, F.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France. [Bergholz, M.; Lohmann, W.; Schmidt, R.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Vesztergombi, G.; Veres, G. I.] Eotvos Lorand Univ, Budapest, Hungary. [Gurtu, A.] King Abdulaziz Univ, Jeddah 21413, Saudi Arabia. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Arfaei, H.; Fahim, A.] Sharif Univ Technol, Tehran, Iran. [Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran. [Hashemi, M.] Shiraz Univ, Shiraz, Iran. [Safarzadeh, B.] Islamic Azad Univ, Plasma Phys Res Ctr, Sci & Res Branch, Tehran, Iran. [Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy. [Meola, S.] Univ Guglielmo Marconi, Rome, Italy. [Martini, L.] Univ Siena, I-53100 Siena, Italy. [Serban, A. T.] Univ Bucharest, Fac Phys, Bucharest, Romania. [Weber, M.; Andreev, V.; Felcini, M.; Cline, D.; Cousins, R.; Duris, J.; Erhan, S.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Traczyk, P.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Rolandi, G.] Sezione Ist Nazl Fis Nucl, Pisa, Italy. [Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Bakirci, M. N.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey. [Cerci, S.; Tali, B.] Adiyaman Univ, Adiyaman, Turkey. [Karapinar, G.] Izmir Inst Technol, Izmir, Turkey. [Sogut, K.] Mersin Univ, Mersin, Turkey. [Isildak, B.] Ozyegin Univ, Istanbul, Turkey. [Kaya, M.; Kaya, O.] Kafkas Univ, Kars, Turkey. [Ozkorucuklu, S.] Suleyman Demirel Univ, TR-32200 Isparta, Turkey. [Sonmez, N.] Ege Univ, Izmir, Turkey. [Gunaydin, Y. O.] Kahramanmaras Sutcu Imam Univ, Kahramanmaras, Turkey. [Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Wasserbaech, S.] Utah Valley Univ, Orem, UT USA. [Leonidopoulos, C.] Univ Edinburgh, Edinburgh, Midlothian, Scotland. [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Ozok, K.] Mimar Sinan Univ, Istanbul, Turkey. RP Alverson, G (reprint author), Northeastern Univ, Boston, MA 02115 USA. EM George.Alverson@cern.ch RI Popov, Andrey/E-1052-2012; Govoni, Pietro/K-9619-2016; Yazgan, Efe/C-4521-2014; Lazzizzera, Ignazio/E-9678-2015; Tomei, Thiago/E-7091-2012; Azarkin, Maxim/N-2578-2015; Dubinin, Mikhail/I-3942-2016; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Seixas, Joao/F-5441-2013; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Matorras, Francisco/I-4983-2015; My, Salvatore/I-5160-2015; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Arce, Pedro/L-1268-2014; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Leonidov, Andrey/P-3197-2014; vilar, rocio/P-8480-2014; Dahms, Torsten/A-8453-2015; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Raidal, Martti/F-4436-2012; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Konecki, Marcin/G-4164-2015; Bedoya, Cristina/K-8066-2014; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Calderon, Alicia/K-3658-2014; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Calvo Alamillo, Enrique/L-1203-2014; VARDARLI, Fuat Ilkehan/B-6360-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Ragazzi, Stefano/D-2463-2009; Benussi, Luigi/O-9684-2014; Dudko, Lev/D-7127-2012; Tinoco Mendes, Andre David/D-4314-2011; Marlow, Daniel/C-9132-2014; de Jesus Damiao, Dilson/G-6218-2012; Janssen, Xavier/E-1915-2013; Novaes, Sergio/D-3532-2012; Bartalini, Paolo/E-2512-2014; Alves, Gilvan/C-4007-2013; Santoro, Alberto/E-7932-2014; Ligabue, Franco/F-3432-2014; Wulz, Claudia-Elisabeth/H-5657-2011; Codispoti, Giuseppe/F-6574-2014; Montanari, Alessandro/J-2420-2012; Markina, Anastasia/E-3390-2012; Zalewski, Piotr/H-7335-2013; Lokhtin, Igor/D-7004-2012; Mundim, Luiz/A-1291-2012; Kodolova, Olga/D-7158-2012; Tinti, Gemma/I-5886-2013; Ivanov, Andrew/A-7982-2013; Petrushanko, Sergey/D-6880-2012; Hill, Christopher/B-5371-2012; Liu, Sheng/K-2815-2013; Zhukov, Valery/K-3615-2013; Venturi, Andrea/J-1877-2012; Wimpenny, Stephen/K-8848-2013; OI Martinez Ruiz del Arbol, Pablo/0000-0002-7737-5121; Staiano, Amedeo/0000-0003-1803-624X; Tonelli, Guido Emilio/0000-0003-2606-9156; Stober, Fred/0000-0003-2620-3159; Toback, David/0000-0003-3457-4144; HSIUNG, YEE/0000-0003-4801-1238; Costa, Salvatore/0000-0001-9919-0569; Tosi, Nicolo/0000-0002-0474-0247; WANG, MIN-ZU/0000-0002-0979-8341; Popov, Andrey/0000-0002-1207-0984; Landsberg, Greg/0000-0002-4184-9380; Rizzi, Andrea/0000-0002-4543-2718; Gershtein, Yuri/0000-0002-4871-5449; Malik, Sudhir/0000-0002-6356-2655; Leonidopoulos, Christos/0000-0002-7241-2114; Blekman, Freya/0000-0002-7366-7098; Govoni, Pietro/0000-0002-0227-1301; Yazgan, Efe/0000-0001-5732-7950; Vieira de Castro Ferreira da Silva, Pedro Manuel/0000-0002-5725-041X; Kasemann, Matthias/0000-0002-0429-2448; Beuselinck, Raymond/0000-0003-2613-7446; Lazzizzera, Ignazio/0000-0001-5092-7531; Abbiendi, Giovanni/0000-0003-4499-7562; Tomei, Thiago/0000-0002-1809-5226; Dubinin, Mikhail/0000-0002-7766-7175; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Seixas, Joao/0000-0002-7531-0842; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Matorras, Francisco/0000-0003-4295-5668; My, Salvatore/0000-0002-9938-2680; Rovelli, Tiziano/0000-0002-9746-4842; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Arce, Pedro/0000-0003-3009-0484; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Dahms, Torsten/0000-0003-4274-5476; Grandi, Claudio/0000-0001-5998-3070; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Konecki, Marcin/0000-0001-9482-4841; Bedoya, Cristina/0000-0001-8057-9152; Cerrada, Marcos/0000-0003-0112-1691; Scodellaro, Luca/0000-0002-4974-8330; Calvo Alamillo, Enrique/0000-0002-1100-2963; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Ragazzi, Stefano/0000-0001-8219-2074; Benussi, Luigi/0000-0002-2363-8889; Vidal Marono, Miguel/0000-0002-2590-5987; Goldstein, Joel/0000-0003-1591-6014; Heath, Helen/0000-0001-6576-9740; Grassi, Marco/0000-0003-2422-6736; ORTONA, Giacomo/0000-0001-8411-2971; Ulrich, Ralf/0000-0002-2535-402X; Gutsche, Oliver/0000-0002-8015-9622; Verdier, Patrice/0000-0003-3090-2948; Dudko, Lev/0000-0002-4462-3192; Tinoco Mendes, Andre David/0000-0001-5854-7699; de Jesus Damiao, Dilson/0000-0002-3769-1680; Novaes, Sergio/0000-0003-0471-8549; Ligabue, Franco/0000-0002-1549-7107; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Codispoti, Giuseppe/0000-0003-0217-7021; Montanari, Alessandro/0000-0003-2748-6373; Mundim, Luiz/0000-0001-9964-7805; Ivanov, Andrew/0000-0002-9270-5643; Hill, Christopher/0000-0003-0059-0779; Wimpenny, Stephen/0000-0003-0505-4908; CHANG, PAO-TI/0000-0003-4064-388X; Reis, Thomas/0000-0003-3703-6624 FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER (Estonia) [SF0690030s09]; ERDF (Estonia); Academy of Finland (Finland); MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NKTH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MSTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA); Marie-Curie programme; European Research Council (European Union); Leventis Foundation; A.P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of Education, Youth and Sports (MEYS) of Czech Republic; Council of Science and Industrial Research, India; Compagnia di San Paolo (Torino); HOMING PLUS programme of Foundation for Polish Science; European Union, Regional Development Fund FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NKTH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Republic of Korea); LAS (Lithuania); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); MON, RosAtom, RAS and RFBR (Russia); MSTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (USA). Individuals have received support from the Marie-Curie programme and the European Research Council (European Union); the Leventis Foundation; the A.P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); and the HOMING PLUS programme of Foundation for Polish Science, cofinanced from European Union, Regional Development Fund. NR 46 TC 45 Z9 45 U1 6 U2 106 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 24 PY 2013 VL 722 IS 4-5 BP 207 EP 232 DI 10.1016/j.physletb.2013.04.017 PG 26 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 153YF UT WOS:000319638000001 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Aguilo, E Bergauer, T Dragicevic, M Ero, J Fabjan, C Fried, M Fruhwirth, R Ghete, VM Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Pernicka, M Rabady, D Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Selvaggi, M Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Suarez, RG Kalogeropoulos, A Maes, M Olbrechts, A Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Clerbaux, B De Lentdecker, G Dero, V Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Reis, T Thomas, L Velde, CV Vanlaer, P Wang, J Adler, V Beernaert, K Cimmino, A Costantini, S Garcia, G Grunewald, M Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Bruno, G Castello, R Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Aida, WL Carvalho, W Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santoro, A Jorge, LS Sznajder, A Pereira, AV Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, E Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Zang, J Zhang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, W Liu, S Mao, Y Qian, SJ Teng, H Wang, D Zhang, L Zou, W Avila, C Montoya, CAC Gomez, JP Moreno, BG Oliveros, AFO Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Galanti, M Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Assran, Y Elgammal, S Kamel, AE Mahmoud, MA Mahrous, A Radi, A Kadastik, M Muntel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Heikkinen, A Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Ungaro, D Wendland, L Korpela, A Tuuva, T Besancon, M Choudhury, S Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Millischer, L Nayak, A Rander, J Rosowsky, A Titov, M Baffioni, S Beaudette, F Benhabib, L Bianchini, L Bluj, M Busson, P Charlot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L Florent, A de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Naranjo, IN Nguyen, M Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Bodin, D Brom, JM Cardaci, M Chabert, EC Collard, C Conte, E Drouhin, F Fontaine, JC Gele, D Goerlach, U Juillot, P Le Bihan, AC Van Hove, P Beauceron, S Beaupere, N Bondu, O Boudoul, G Brochet, S Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Perries, S Sgandurra, L Sordini, V Tschudi, Y Verdier, P Viret, S Tsamalaidze, Z Autermann, C Beranek, S Calpas, B Edelhoff, M Feld, L Heracleous, N Hindrichs, O Jussen, R Klein, K Merz, J Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Wittmer, B Zhukov, V Ata, M Caudron, J Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Guth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Thuer, S Weber, M Bontenackels, M Cherepanov, V Erdogan, Y Flugge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Lingemann, J Nowack, A Perchalla, L Pooth, O Sauerland, P Stahl, A Martin, MA Behr, J Behrenhoff, W Behrens, U Bergholz, M Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Castro, E Costanza, F Dammann, D Pardos, CD Dorland, T Eckerlin, G Eckstein, D Flucke, G Geiser, A Glushkov, I Gunnellini, P Habib, S Hauk, J Hellwig, G Jung, H Kasemann, M Katsas, P Kleinwort, C Kluge, H Knutsson, A Kramer, M Krucker, D Kuznetsova, E Lange, W Leonard, J Lohmann, W Lutz, B Mankel, R Marfin, I Marienfeld, M Melzer-Pellmann, IA Meyer, AB Mnich, J Mussgiller, A Naumann-Emme, S Novgorodova, O Nowak, F Olzem, J Perrey, H Petrukhin, A Pitzl, D Raspereza, A Cipriano, PMR Riedl, C Ron, E Rosin, M Salfeld-Nebgen, J Schmidt, R Schoerner-Sadenius, T Sen, N Spiridonov, A Stein, M Walsh, R Wissing, C Blobel, V Enderle, H Erfle, J Gebbert, U Gorner, M Gosselink, M Haller, J Hermanns, T Hoing, RS Kaschube, K Kausseri, G Kirschenmann, H Klanner, R Lange, J Peiffer, T Pietsch, N Rathjens, D Sander, C Schettler, H Schleper, P Schlieckau, E Schmidt, A Schroder, M Schum, T Seidel, M Sibille, J Sola, V Stadie, H Steinbruck, G Thomsen, J Vanelderen, L Barth, C Berger, J Boser, C Chwalek, T De Boer, W Descroix, A Dierlamm, A Feindt, M Guthoff, M Hackstein, C Hartmann, F Hauth, T Heinrich, M Held, H Hoffmann, KH Husemann, U Katkov, I Komaragiri, JR Pardo, PL Martschei, D Mueller, S Muller, T Niegel, M Nurnberg, A Oberst, O Oehler, A Ott, J Quast, G Rabbertz, K Ratnikov, F Ratnikova, N Rocker, S Schilling, FP Schott, G Simonis, HJ Stober, FM Troendle, D Ulrich, R Wagner-Kuhr, J Wayand, S Weiler, T Zeise, M Anagnostou, G Daskalakis, G Geralis, T Kesisoglou, S Kyriakis, A Loukas, D Manolakos, I Markou, A Markou, C Ntomari, E Gouskos, L Mertzimekis, TJ Panagiotou, A Saoulidou, N Evangelou, I Foudas, C Kokkas, P Manthos, N Papadopoulos, I Bencze, G Hajdu, C Hidas, P Horvath, D Sikler, F Veszpremi, V Vesztergombi, G Zsigmond, AJ Beni, N Czellar, S Molnar, J Palinkas, J Szillasi, Z Karancsi, J Raics, P Trocsanyi, ZL Ujvari, B Beri, SB Bhatnagar, V Dhingra, N Gupta, R Kaur, M Mehta, MZ Mittal, M Nishu, N Saini, LK Sharma, A Singh, JB Kumar, A Kumar, A Ahuja, S Bhardwaj, A Choudhary, BC Malhotra, S Naimuddin, M Ranjan, K Sharma, V Shivpuri, RK Banerjee, S Bhattacharya, S Chatterjee, K Dutta, S Gomber, B Jain, S Jain, S Khurana, R Modak, A Mukherjee, S Roy, D Sarkar, S Sharan, M Abdulsalam, A Dutta, D Kailas, S Kumar, V Mohanty, AK Pant, LM Shukla, P Aziz, T Chatterjee, RM Ganguly, S Guchait, M Gurtu, A Maity, M Majumder, G Mazumdar, K Mohanty, GB Parida, B Sudhakar, K Wickramage, N Banerjee, S Dugad, S Arfaei, H Bakhshiansohi, H Etesami, SM Fahim, A Hashemi, M Hesari, H Jafari, A Khakzad, M Najafabadi, MM Mehdiabadi, SP Safarzadeh, B Zeinali, M Abbrescia, M Barbone, L Calabria, C Chhibra, SS Colaleo, A Creanza, D De Filippis, N De Palma, M Fiore, L Iaselli, G Maggi, G Maggi, M Marangelli, B My, S Nuzzo, S Pacifico, N Pompili, A Pugliese, G Selvaggi, G Silvestris, L Singh, G Venditti, R Verwilligen, P Zito, G Abbiendi, G Benvenuti, AC Bonacorsi, D Braibant-Giacomelli, S Brigliadori, L Capiluppi, P Castro, A Cavallo, FR Cuffiani, M Dallavalle, GM Fabbri, F Fanfani, A Fasanella, D Giacomelli, R Grandi, C Guiducci, L Marcellini, S Masetti, G Meneghelli, M Montanari, A Navarria, E Odorici, E Perrotta, A Primavera, R Rossi, AM Rovelli, T Siroli, GP Tosi, N Travaglini, R Albergo, S Cappello, G Chiorboli, M Costa, S Potenza, R Tricomi, A Tuve, C Barbagli, G Ciulli, V Civinini, C D'Alessandro, R Focardi, E Frosali, S Gallo, E Gonzi, S Meschini, M Paoletti, S Sguazzoni, G Tropiano, A Benussi, L Bianco, S Colafranceschi, S Fabbri, E Piccolo, D Fabbricatore, P Musenich, R Tosi, S Benaglia, A De Guio, F Di Matteo, L Fiorendi, S Gennai, S Ghezzi, A Malvezzi, S Manzoni, RA Martelli, A Massironi, A Menasce, D Moroni, L Paganoni, M Pedrini, D Ragazzi, S Redaelli, N de Fatis, TT Buontempo, S Cavallo, N De Cosa, A Dogangun, O Fabozzi, F Iorio, AOM Lista, L Meola, S Merola, M Paolucci, P Azzi, P Bacchetta, N Bellato, M Bisello, D Branca, A Carlin, R Checchia, P Dorigo, T Gasparini, F Gozzelino, A Kanishchev, K Lacaprara, S Lazzizzera, I Margoni, M Meneguzzo, AT Pazzini, J Pozzobon, N Ronchese, P Simonetto, F Torassa, E Tosi, M Vanini, S Zotto, P Zucchetta, A Zumerle, G Gabusi, M Ratti, SP Riccardi, C Torre, P Vitulo, P Biasini, M Bilei, GM Fano, L Lariccia, P Mantovani, G Menichelli, M Nappi, A Romeo, E Saha, A Santocchia, A Spiezia, A Taroni, S Azzurri, P Bagliesi, G Bernardini, J Boccali, T Broccolo, G Castaldi, R D'Agnolo, RT Dell'Orso, R Fiori, F Foa, L Giassi, A Kraan, A Ligabue, F Lomtadze, T Martini, L Messineo, A Palla, E Rizzi, A Serban, AT Spagnolo, P Squillacioti, P Tenchini, R Tonelli, G Venturi, A Verdini, PG Barone, L Cavallari, F Del Re, D Diemoz, M Fanelli, C Grassi, M Longo, E Meridiani, P Micheli, F Nourbakhsh, S Organtini, G Paramatti, R Rahatlou, S Soffi, L Amapane, N Arcidiacono, R Argiro, S Arneodo, M Biino, C Cartiglia, N Casasso, S Costa, M Demaria, N Mariotti, C Maselli, S Migliore, E Monaco, V Musich, M Obertino, MM Pastrone, N Pelliccioni, M Potenza, A Romero, A Ruspa, M Sacchi, R Solano, A Staiano, A Belforte, S Candelise, V Casarsa, M Cossutti, E Della Ricca, G Gobbo, B Marone, M Montanino, D Penzo, A Schizzi, A Kim, TY Nam, SK Chang, S Kim, DH Kim, GN Kong, DJ Park, H Son, DC Son, T Kim, JY Kim, ZJ 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CA CMS Collaboration TI Event shapes and azimuthal correlations in Z plus jets events in pp collisions at root s=7 TeV SO PHYSICS LETTERS B LA English DT Article DE CMS; Physics; Event shape; QCD ID DEEP-INELASTIC SCATTERING; HERA AB Measurements of event shapes and azimuthal correlations are presented for events where a Z boson is produced in association with jets in proton-proton collisions. The data collected with the CMS detector at the CERN LHC at root s = 7 TeV correspond to an integrated luminosity of 5.0 fb(-1). The analysis provides a test of predictions from perturbative QCD for a process that represents a substantial background to many physics channels. Results are presented as a function of jet multiplicity, for inclusive Z boson production and for Z bosons with transverse momenta greater than 150 GeV, and compared to predictions from Monte Carlo event generators that include leading-order multiparton matrix-element (with up to four hard partons in the final state) and next-to-leading-order simulations of Z + 1-jet events. The experimental results are corrected for detector effects, and can be compared directly with other QCD models. (c) 2013 CERN. Published by Elsevier B.V. All rights reserved. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Aguilo, E.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Fried, M.; Fruehwirth, R.; Ghete, V. 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[Beauceron, S.; Beaupere, N.; Bondu, O.; Boudoul, G.; Brochet, S.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sgandurra, L.; Sordini, V.; Tschudi, Y.; Verdier, P.; Viret, S.] Univ Lyon 1, Inst Phys Nucl Lyon, CNRS IN2P3, F-69622 Villeurbanne, France. [Tsamalaidze, Z.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, GE-380086 Tbilisi, Rep of Georgia. [Autermann, C.; Beranek, S.; Calpas, B.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Jussen, R.; Klein, K.; Merz, J.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany. [Ata, M.; Caudron, J.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Thueer, S.; Weber, M.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bontenackels, M.; Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Perchalla, L.; Pooth, O.; Sauerland, P.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Martin, M. Aldaya; Behr, J.; Behrenhoff, W.; Behrens, U.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Castro, E.; Costanza, F.; Dammann, D.; Pardos, C. Diez; Dorland, T.; Eckerlin, G.; Eckstein, D.; Flucke, G.; Geiser, A.; Glushkov, I.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Knutsson, A.; Kraemer, M.; Kruecker, D.; Kuznetsova, E.; Lange, W.; Leonard, J.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Marienfeld, M.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Nowak, F.; Olzem, J.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Raspereza, A.; Cipriano, P. M. Ribeiro; Riedl, C.; Ron, E.; Rosin, M.; Salfeld-Nebgen, J.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Spiridonov, A.; Stein, M.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Blobel, V.; Enderle, H.; Erfle, J.; Gebbert, U.; Goerner, M.; Gosselink, M.; Haller, J.; Hermanns, T.; Hoeing, R. S.; Kaschube, K.; Kausseri, G.; Kirschenmann, H.; Klanner, R.; Lange, J.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schroeder, M.; Schum, T.; Seidel, M.; Sibille, J.; Sola, V.; Stadie, H.; Steinbrueck, G.; Thomsen, J.; Vanelderen, L.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Berger, J.; Boeser, C.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hackstein, C.; Hartmann, F.; Hauth, T.; Heinrich, M.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Komaragiri, J. R.; Pardo, P. Lobelle; Martschei, D.; Mueller, S.; Mueller, Th.; Niegel, M.; Nuernberg, A.; Oberst, O.; Oehler, A.; Ott, J.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Ratnikova, N.; Roecker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Troendle, D.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Zeise, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Manolakos, I.; Markou, A.; Markou, C.; Ntomari, E.] Inst Nucl Phys Demokritos, Aghia Paraskevi, Greece. [Gouskos, L.; Mertzimekis, T. J.; Panagiotou, A.; Saoulidou, N.; Sphicas, P.] Univ Athens, Athens, Greece. [Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Krajczar, K.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. [Horvath, D.; Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, H-4012 Debrecen, Hungary. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Mittal, M.; Nishu, N.; Saini, L. K.; Sharma, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Aziz, T.; Chatterjee, R. M.; Ganguly, S.; Guchait, M.; Gurtu, A.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res EHEP, Bombay, Maharashtra, India. [Guchait, M.; Banerjee, S.; Dugad, S.] Tata Inst Fundamental Res HECR, Bombay, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Hashemi, M.; Hesari, H.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Verwilligen, P.; Zito, G.] INFN Sez Bari, Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Marangelli, B.; Nuzzo, S.; Pompili, A.; Selvaggi, G.; Singh, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, R.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, E.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] INFN Sez Bologna, Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] INFN Sez Catania, Catania, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] INFN Sez Firenze, Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Colafranceschi, S.; Fabbri, E.; Piccolo, D.] INFN Lab Nazl Frascati, Frascati, Italy. [Fabbricatore, P.; Musenich, R.; Tosi, S.] INFN Sez Genova, Genoa, Italy. [Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] INFN Sez Milano Bicocca, Milan, Italy. [De Guio, F.; Di Matteo, L.; Fiorendi, S.; Ghezzi, A.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] INFN Sez Napoli, Naples, Italy. [De Cosa, A.; Dogangun, O.; Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bellato, M.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Gasparini, F.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] INFN Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Gasparini, F.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trent, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.] INFN Sez Pavia, Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Taroni, S.; Pioppi, M.] INFN Sez Perugia, Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Taroni, S.; Pioppi, M.] Univ Perugia, I-06100 Perugia, Italy. [Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, E.; Rizzi, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] INFN Sez Pisa, Pisa, Italy. [Fiori, F.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Azzurri, P.; Broccolo, G.; D'Agnolo, R. T.; Foa, L.; Ligabue, F.; Rolandi, G.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Fanelli, C.; Grassi, M.; Longo, E.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Soffi, L.; Rovelli, C.] INFN Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Fanelli, C.; Grassi, M.; Longo, E.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.] INFN Sez Torino, Turin, Italy. [Amapane, N.; Argiro, S.; Casasso, S.; Costa, M.; Migliore, E.; Monaco, V.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, E.; Della Ricca, G.; Gobbo, B.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.] INFN Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Kim, D. H.; Kim, G. N.; Kong, D. J.; Park, H.; Son, D. C.; Son, T.; Kamon, T.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Univ & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, E.; Kim, T. J.; Lee, K. S.; Moon, D. H.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] Ctr Invest & Estudios Avanzados IPN, Mexico City, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Linares, E. Casimiro; Pineda, A. Morelos; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Bell, A. J.; Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Parracho, P. G. Ferreira; Gallinaro, M.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Tsamalaidze, Z.; Belotelov, I.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Smirnov, V.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Evstyukhin, S.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Kossov, M.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Shreyber, I.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Popov, A.; Sarycheva, L.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambient & Tecnol CIEMAT, Madrid, Spain. [Albajar, C.; Codispoti, G.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Piedra Gomez, J.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Jorda, C.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] CSIC Univ Cantabria, Inst Fis Cantabria IFCA, Santander, Spain. [Rabady, D.; Genchev, V.; Iaydjiev, P.; Puljak, I.; Chierici, R.; Lingemann, J.; Guthoff, M.; Hartmann, F.; Hauth, T.; Mohanty, A. K.; Calabria, C.; De Filippis, N.; Meneghelli, M.; Di Matteo, L.; Gennai, S.; De Cosa, A.; Paolucci, P.; Bacchetta, N.; Branca, A.; D'Agnolo, R. T.; Fiori, F.; Squillacioti, P.; Grassi, M.; Meridiani, P.; Mariotti, C.; Musich, M.; Marone, M.; Montanino, D.; Grishin, V.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; D'Enterria, D.; Dabrowski, A.; De Roeck, A.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Frisch, B.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Govoni, P.; Gowdy, S.; Guida, R.; Gundacker, S.; Hammer, J.; Hansen, M.; Harris, P.; Hartl, C.; Harvey, J.; Hegner, B.; Hinzmann, A.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Kousouris, K.; Lecoq, P.; Lee, Y. -J.; Lenzi, P.; Lourenco, C.; Magini, N.; Maeki, T.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mulders, M.; Musella, P.; Nesvold, E.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rovelli, C.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Baeni, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Eugster, J.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Mohr, N.; Moortgat, F.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, H. A.; Wehrli, L.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Tupputi, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Chang, Y. H.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Singh, A. P.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wan, X.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Srimanobhas, N.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Karaman, T.; Karapinar, G.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, L. N.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Snigirev, A.; Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.] Kharkov Phys & Technol Inst, Natl Sci Ctr, UA-310108 Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Worm, S. D.; Newbold, D. M.; Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Ball, G.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Stoye, M.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Hatakeyama, K.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; St John, J.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Dolen, J.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Mall, O.; Miceli, T.; Pellett, D.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Sierra, R. Vasquez; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Felcini, M.; Andreev, V.; Cline, D.; Cousins, R.; Duris, J.; Erhan, S.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Traczyk, P.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Dinardo, M. E.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Liu, H.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Kalavase, P.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Villalba, R. Magana; Mccoll, N.; Pavlunin, V.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Apresyan, A.; Bornheim, A.; Chen, Y.; Di Marco, E.; Duarte, J.; Gataullin, M.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Heltsley, B.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Green, D.; Gutsche, O.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kunori, S.; Kwan, S.; Leonidopoulos, C.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Gartner, J.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Park, M.; Remington, R.; Rinkevicius, A.; Sellers, P.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Vodopiyanov, I.; Yumiceva, E.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Lacroix, F.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Duru, F.; Griffiths, S.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Norbeck, E.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Tinti, G.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kim, M.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Peterman, A.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Kim, Y.; Klute, M.; Krajczar, K.; Levin, A.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Cooper, S. I.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Berry, D.; Brinkerhoff, A.; Chan, K. M.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Vuosalo, C.; Williams, G.; Winer, B. L.] Ohio State Univ, Columbus, OH 43210 USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Pegna, D. Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Barnes, V. E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Laasanen, A. T.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Guragain, S.; Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Boulahouache, C.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Chung, Y. S.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Midas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Rose, K.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Sengupta, S.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Jeong, C.; Kovitanggoon, K.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. G.; Florez, C.; Greene, S.; Gurrola, A.; Johns, W.; Kurt, P.; Maguire, C.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN USA. [Arenton, M. W.; Balazs, M.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sakharov, A.] Wayne State Univ, Detroit, MI USA. [Anderson, M.; Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Friis, E.; Gray, L.; Grogg, K. S.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Lazaridis, C.; Loveless, R.; Mohapatra, A.; Mozer, M. U.; Ojalvo, I.; Palmonari, F.; Pierro, G. A.; Ross, I.; Savin, A.; Smith, W. H.; Swanson, J.] Univ Wisconsin, Madison, WI 53706 USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Assran, Y.] Suez Canal Univ, Suez, Egypt. [Elgammal, S.] Zewail City Sci & Technol, Zewail, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Mahrous, A.] Helwan Univ, Cairo, Egypt. [Radi, A.] British Univ Egypt, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Drouhin, F.] Univ Haute Alsace, Mulhouse, France. [Bergholz, M.; Lohmann, W.; Schmidt, R.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Vesztergombi, G.; Veres, G. I.] Eotvos Lorand Univ, Budapest, Hungary. [Gurtu, A.] King Abdulaziz Univ, Jeddah 21413, Saudi Arabia. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Arfaei, H.; Fahim, A.] Sharif Univ Technol, Tehran, Iran. [Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran. [Hashemi, M.] Shiraz Univ, Shiraz, Iran. 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[Basso, L.; Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Wasserbaech, S.] Utah Valley Univ, Orem, UT USA. [Leonidopoulos, C.] Univ Edinburgh, Edinburgh, Midlothian, Scotland. [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Ozok, F.] Mimar Sinan Univ, Istanbul, Turkey. RP Alverson, G (reprint author), Northeastern Univ, Boston, MA 02115 USA. EM George.Alverson@cern.ch RI vilar, rocio/P-8480-2014; Dahms, Torsten/A-8453-2015; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Raidal, Martti/F-4436-2012; VARDARLI, Fuat Ilkehan/B-6360-2013; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Konecki, Marcin/G-4164-2015; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Calderon, Alicia/K-3658-2014; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Josa, Isabel/K-5184-2014; Calvo Alamillo, Enrique/L-1203-2014; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Dudko, Lev/D-7127-2012; Tinoco Mendes, Andre David/D-4314-2011; Marlow, Daniel/C-9132-2014; de Jesus Damiao, Dilson/G-6218-2012; Janssen, Xavier/E-1915-2013; Novaes, Sergio/D-3532-2012; Bartalini, Paolo/E-2512-2014; Alves, Gilvan/C-4007-2013; Santoro, Alberto/E-7932-2014; Ligabue, Franco/F-3432-2014; Wulz, Claudia-Elisabeth/H-5657-2011; Codispoti, Giuseppe/F-6574-2014; Montanari, Alessandro/J-2420-2012; Zalewski, Piotr/H-7335-2013; Wimpenny, Stephen/K-8848-2013; Markina, Anastasia/E-3390-2012; Lokhtin, Igor/D-7004-2012; Mundim, Luiz/A-1291-2012; Kodolova, Olga/D-7158-2012; Tinti, Gemma/I-5886-2013; Ivanov, Andrew/A-7982-2013; Petrushanko, Sergey/D-6880-2012; Hill, Christopher/B-5371-2012; Liu, Sheng/K-2815-2013; Zhukov, Valery/K-3615-2013; Venturi, Andrea/J-1877-2012; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Yazgan, Efe/C-4521-2014; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Tomei, Thiago/E-7091-2012; Azarkin, Maxim/N-2578-2015; Dubinin, Mikhail/I-3942-2016; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Seixas, Joao/F-5441-2013; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; 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My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Ragazzi, Stefano/0000-0001-8219-2074; Rovelli, Tiziano/0000-0002-9746-4842; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Arce, Pedro/0000-0003-3009-0484 FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER (Estonia) [SF0690030s09]; ERDF (Estonia); Academy of Finland (Finland); MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NKTH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MSTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA) FX We congratulate our-colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NKTH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Republic of Korea); LAS (Lithuania); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); MON, RosAtom, RAS and RFBR (Russia); MSTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (USA). NR 42 TC 23 Z9 23 U1 4 U2 103 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 24 PY 2013 VL 722 IS 4-5 BP 238 EP 261 DI 10.1016/j.physletb.2013.04.025 PG 24 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 153YF UT WOS:000319638000003 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 Ajaz, M Akindinov, A Aleksandrov, D Alessandro, B Molina, RA Alici, A Alkin, A Avina, E 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 Aysto, 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 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Virgili, T. Viyogi, Y. P. Vodopyanov, A. Voloshin, K. Voloshin, S. Volpe, G. von Haller, B. Vranic, D. Vrlakova, J. Vulpescu, B. Vyushin, A. Wagner, B. Wagner, V. Wang, R. Wang, M. Wang, Y. Wang, D. Wang, Y. Watanabe, K. Weber, M. Wessels, J. P. Westerhoff, U. Wiechula, J. Wikne, J. Wilde, M. Wilk, A. Wilk, G. Williams, M. C. S. Windelband, B. Karampatsos, L. Xaplanteris Yaldo, C. G. Yamaguchi, Y. Yang, S. Yang, H. 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, X. Zhang, H. Zhou, D. Zhou, Y. Zhou, F. Zhu, J. Zhu, J. Zhu, X. Zhu, H. Zichichi, A. Zimmermann, A. Zinovjev, G. Zoccarato, Y. Zynovyev, M. Zyzak, M. CA ALICE Collaboration TI Measurement of the inclusive differential jet cross section in pp collisions at root s=2.76 TeV SO PHYSICS LETTERS B LA English DT Article AB The ALICE Collaboration at the CERN Large Hadron Collider reports the first measurement of the inclusive differential jet cross section at mid-rapidity in pp collisions at root s = 2.76 TeV, with integrated luminosity of 13.6 nb(-1). Jets are measured over the transverse momentum range 20 to 125 GeV/c and are corrected to the particle level. Calculations based on Next-to-Leading Order perturbative QCD are in good agreement with the measurements. The ratio of inclusive jet cross sections for jet radii R = 0.2 and R = 0.4 is reported, and is also well reproduced by a Next-to-Leading Order perturbative QCD calculation when hadronization effects are included. (c) 2013 CERN. Published by Elsevier B.V. All rights reserved. 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[Bartke, J.; Figiel, J.; Gladysz-Dziadus, E.; Kowalski, M.; Matyja, A.; Mayer, C.; Rybicki, A.; Sputowska, I.; Szczepankiewicz, A.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Knospe, A. G.; Markert, C.; Karampatsos, L. Xaplanteris] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Gomez, R.; Monzon, I. Leon; Podesta-Lerma, P. L. M.] Univ Autonoma Sinaloa, Culiacan, Mexico. [Carlin Filho, N.; de Barros, G. O. V.; Deppman, A.; Figueredo, M. A. S.; Moreira De Godoy, D. A.; Munhoz, M. G.; Da Silva, A. C. Oliveira; Pereira De Oliveira Filho, E.; Suaide, A. A. P.; Szanto de Toledo, A.] Univ Sao Paulo, Sao Paulo, Brazil. [Dash, A.; Takahashi, I. J.] Univ Estadual Campinas UNICAMP, Campinas, Brazil. [Cheshkov, C.; Cheynis, B.; Ducroux, L.; Grossiord, J. -Y.; Guilbaud, M.; Tieulent, R.; Uras, A.; Zoccarato, Y.] Univ Lyon 1, IPN Lyon, CNRS IN2P3, F-69622 Villeurbanne, France. [Bellwied, R.; Blanco, F.; Chinellato, D. D.; Jayarathna, P. H. S. 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EM rongrong.ma@cern.ch RI Nattrass, Christine/J-6752-2016; Suaide, Alexandre/L-6239-2016; Deppman, Airton/J-5787-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Ferreiro, Elena/C-3797-2017; Armesto, Nestor/C-4341-2017; Ferretti, Alessandro/F-4856-2013; Martinez Hernandez, Mario Ivan/F-4083-2010; Vickovic, Linda/F-3517-2017; Fernandez Tellez, Arturo/E-9700-2017; Vinogradov, Leonid/K-3047-2013; Janik, Malgorzata/O-7520-2015; Graczykowski, Lukasz/O-7522-2015; Adamova, Dagmar/G-9789-2014; Christensen, Christian/D-6461-2012; De Pasquale, Salvatore/B-9165-2008; 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; Bearden, Ian/M-4504-2014; Sumbera, Michal/O-7497-2014; Peitzmann, Thomas/K-2206-2012; Kharlov, Yuri/D-2700-2015; Mitu, Ciprian/E-6733-2011; Usai, Gianluca/E-9604-2015; Salgado, Carlos A./G-2168-2015; Bruna, Elena/C-4939-2014; Karasu Uysal, Ayben/K-3981-2015; HAMAGAKI, HIDEKI/G-4899-2014; Pshenichnov, Igor/A-4063-2008; Altsybeev, Igor/K-6687-2013; Castillo Castellanos, Javier/G-8915-2013; Levai, Peter/A-1544-2014; Guber, Fedor/I-4271-2013; Martinez Davalos, Arnulfo/F-3498-2013; Wagner, Vladimir/G-5650-2014; Vajzer, Michal/G-8469-2014; Krizek, Filip/G-8967-2014; Bielcikova, Jana/G-9342-2014; Barnby, Lee/G-2135-2010; Blau, Dmitry/H-4523-2012; Yang, Hongyan/J-9826-2014; Cosentino, Mauro/L-2418-2014; Barnafoldi, Gergely Gabor/L-3486-2013; Bregant, Marco/I-7663-2012; Felea, Daniel/C-1885-2012; Christensen, Christian Holm/A-4901-2010; Chinellato, David/D-3092-2012; feofilov, grigory/A-2549-2013; Voloshin, Sergei/I-4122-2013; Vechernin, Vladimir/J-5832-2013; Zarochentsev, Andrey/J-6253-2013; Sevcenco, Adrian/C-1832-2012; Kondratiev, Valery/J-8574-2013 OI Scarlassara, Fernando/0000-0002-4663-8216; Nattrass, Christine/0000-0002-8768-6468; Suaide, Alexandre/0000-0003-2847-6556; Deppman, Airton/0000-0001-9179-6363; Ferreiro, Elena/0000-0002-4449-2356; Armesto, Nestor/0000-0003-0940-0783; Ferretti, Alessandro/0000-0001-9084-5784; Martinez Hernandez, Mario Ivan/0000-0002-8503-3009; Vickovic, Linda/0000-0002-9820-7960; Fernandez Tellez, Arturo/0000-0003-0152-4220; Riggi, Francesco/0000-0002-0030-8377; Vinogradov, Leonid/0000-0001-9247-6230; Janik, Malgorzata/0000-0002-3356-3438; Christensen, Christian/0000-0002-1850-0121; De Pasquale, Salvatore/0000-0001-9236-0748; 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; Bearden, Ian/0000-0003-2784-3094; Sumbera, Michal/0000-0002-0639-7323; Peitzmann, Thomas/0000-0002-7116-899X; Usai, Gianluca/0000-0002-8659-8378; Salgado, Carlos A./0000-0003-4586-2758; Bruna, Elena/0000-0001-5427-1461; Karasu Uysal, Ayben/0000-0001-6297-2532; Pshenichnov, Igor/0000-0003-1752-4524; Altsybeev, Igor/0000-0002-8079-7026; Castillo Castellanos, Javier/0000-0002-5187-2779; Guber, Fedor/0000-0001-8790-3218; Martinez Davalos, Arnulfo/0000-0002-9481-9548; Barnby, Lee/0000-0001-7357-9904; Cosentino, Mauro/0000-0002-7880-8611; Felea, Daniel/0000-0002-3734-9439; Christensen, Christian Holm/0000-0002-1850-0121; Chinellato, David/0000-0002-9982-9577; feofilov, grigory/0000-0003-3700-8623; Vechernin, Vladimir/0000-0003-1458-8055; Zarochentsev, Andrey/0000-0002-3502-8084; Sevcenco, Adrian/0000-0002-4151-1056; Kondratiev, Valery/0000-0002-0031-0741 FU State Committee of Science, Armenia; Calouste Gulbenkian Foundation from Lisbon, Armenia; Swiss Fonds Kidagan, Armenia; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Financiadora de Estudos e Projetos (FINEP); Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); National Natural Science Foundation of China (NSFC); Chinese Ministry of Education (CMOE); Ministry of Science and Technology of China (MSTC); Ministry of Education and Youth of the Czech Republic; Danish Natural Science Research Council; Carlsberg Foundation; Danish National Research Foundation; The European Research Council under the European Community's Seventh Framework Programme; Helsinki Institute of Physics; Academy of Finland; French CNRS-IN2P3, France; 'Region Pays de Loire', France; 'Region Alsace', France; 'Region Auvergne', France; CEA, France; German BMBF; Helmholtz Association; General Secretariat for Research and Technology, Ministry of Development, Greece; Hungarian OTKA; National Office for Research and Technology (NKTH); Department of Atomic Energy of the Government of India; Department of Science and Technology of the Government of India; Istituto Nazionale di Fisica Nucleate (INFN), Italy; Centro Fermi - Museo Storico della Fisica e Centro Studi e Ricerche "Enrico Fermi", Italy; MEXT Grant-in-Aid for Specially Promoted Research, Japan; Joint Institute for Nuclear Research, Dubna; National Research Foundation of Korea (NRF); CONACYT, Mexico; DGAPA, Mexico; ALFA-EC; HELEN Program (High-Energy Physics Latin-American-European Network); Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Netherlands; Research Council of Norway (NFR); Polish Ministry of Science and Higher Education; National Authority for Scientific Research - NASR (Autoritatea Nationala pentru Cercetare Stiintifica - ANCS); Ministry of Education and Science of Russian Federation; International Science and Technology Center; Russian Academy of Sciences; Russian Federal Agency of Atomic Energy; Russian Federal Agency for Science and Innovations; CERN-INTAS; Ministry of Education of Slovakia; Department of Science and Technology, South Africa; CIEMAT, Cuba; EELA, Cuba; Ministerio de Educacion y Ciencia of Spain, Cuba; Xunta de Galicia (Conselleria de Educacion), Cuba; CEADEN, Cuba; Cubaenergia, Cuba; IAEA (International Atomic Energy Agency); Swedish Research Council (VR); Knut & Alice Wallenberg Foundation (KAW); Ukraine Ministry of Education and Science; United Kingdom Science and Technology Facilities Council (STFC); The United States Department of Energy; United States National Science Foundation; State of Texas; State of Ohio FX The ALICE Collaboration would like to thank all its engineers and technicians for their invaluable contributions to the construction of the experiment and the CERN accelerator teams for the outstanding performance of the LHC complex. The ALICE Collaboration acknowledges the following funding agencies for their support in building and running the ALICE detector: State Committee of Science, Calouste Gulbenkian Foundation from Lisbon and Swiss Fonds Kidagan, Armenia; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); National Natural Science Foundation of China (NSFC), the Chinese Ministry of Education (CMOE) and the Ministry of Science and Technology of China (MSTC); Ministry of Education and Youth of the Czech Republic; Danish Natural Science Research Council, the Carlsberg Foundation and the Danish National Research Foundation; The European Research Council under the European Community's Seventh Framework Programme; Helsinki Institute of Physics and the Academy of Finland; French CNRS-IN2P3, the 'Region Pays de Loire', 'Region Alsace', 'Region Auvergne' and CEA, France; German BMBF and the Helmholtz Association; General Secretariat for Research and Technology, Ministry of Development, Greece; Hungarian OTKA and National Office for Research and Technology (NKTH); Department of Atomic Energy and Department of Science and Technology of the Government of India; Istituto Nazionale di Fisica Nucleate (INFN) and Centro Fermi - Museo Storico della Fisica e Centro Studi e Ricerche "Enrico Fermi", Italy; MEXT Grant-in-Aid for Specially Promoted Research, Japan; Joint Institute for Nuclear Research, Dubna; National Research Foundation of Korea (NRF); CONACYT, DGAPA, Mexico, ALFA-EC and the HELEN Program (High-Energy Physics Latin-American-European Network); Stichting voor Fundamenteel Onderzoek der Materie (FOM) and the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Netherlands; Research Council of Norway (NFR); Polish Ministry of Science and Higher Education; National Authority for Scientific Research - NASR (Autoritatea Nationala pentru Cercetare Stiintifica - ANCS); Ministry of Education and Science of Russian Federation, International Science and Technology Center, Russian Academy of Sciences, Russian Federal Agency of Atomic Energy, Russian Federal Agency for Science and Innovations and CERN-INTAS; Ministry of Education of Slovakia; Department of Science and Technology, South Africa; CIEMAT, EELA, Ministerio de Educacion y Ciencia of Spain, Xunta de Galicia (Conselleria de Educacion), CEADEN, Cubaenergia, Cuba, and IAEA (International Atomic Energy Agency); Swedish Research Council (VR) and Knut & Alice Wallenberg Foundation (KAW); Ukraine Ministry of Education and Science; United Kingdom Science and Technology Facilities Council (STFC); The United States Department of Energy, the United States National Science Foundation, the State of Texas, and the State of Ohio. 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B PD MAY 24 PY 2013 VL 722 IS 4-5 BP 262 EP 272 DI 10.1016/j.physletb.2013.04.026 PG 11 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 153YF UT WOS:000319638000004 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Aguilo, E Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hammer, J Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Pernicka, M Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Waltenberger, W Walzel, G Widl, E Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Selvaggi, M Staykova, Z Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, E Blyweert, S D'Hondt, J Suarez, RG Kalogeropoulos, A Maes, M Olbrechts, A Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Clerbaux, B De Lentdecker, G Dero, V Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Reis, T Thomas, L Vander Marcken, G Vanlaer, P Wang, J Adler, V Beernaert, K Cimmino, A Costantini, S Garcia, G Grunewald, M Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Strobbe, N Thyssen, F Tytgat, M Verwilligen, P Walsh, S Yazgan, E Zaganidis, N Basegmez, S Bruno, G Castello, R Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Schul, N Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Correa, MM Damiao, DD Martins, T Pol, ME Souza, MHG Aida, WL Carvalho, W Custodio, A Da Costa, EM Martins, CD De Souza, SF Figueiredo, DM Mundim, L Nogima, H Oguri, V Da Silva, WLP Santoro, A Jorge, LS Sznajder, A Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, F Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Zang, J Zhang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, W Liu, S Mao, Y Qian, SJ Teng, H Wang, D Zhang, L Zou, W Avila, C Gomez, JP Moreno, BG Oliveros, AFO Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Kadija, K Luetic, J Morovic, S Attikis, A Galanti, M Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, E Razis, PA Finger, M Finger, M Assran, Y Elgamma, S Kamel, AE Mahmoud, MA Radi, A Kadastik, M Muntel, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutinen, M Harkonen, J Heikkinen, A Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Ungaro, D Wendland, L Banzuzi, K Karjalainen, A Korpela, A Tuuva, T Besancon, M Choudhury, S Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Millischer, L Nayak, A Rander, J Rosowsky, A Shreyber, I Titov, M Baffioni, S Beaudette, F Benhabib, L Bianchini, L Bluj, M Broutin, C Busson, P Chariot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Naranjo, IN Nguyen, M Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Bodin, D Brom, JM Cardaci, M Chabert, EC Collard, C Conte, E Drouhin, F Ferro, C Fontaine, JC Gele, D Goerlach, U Juillot, P Le Bihan, AC Van Hove, P Fassi, F Mercier, D Beauceron, S Beaupere, N Bondu, . 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CA CMS Collaboration TI Search for long-lived particles in events with photons and missing energy in proton-proton collisions at root s=7 TeV SO PHYSICS LETTERS B LA English DT Article DE CMS; LHC; SUSY; Exotica; GMSB; Long-lived; Photons; Displaced ID MEDIATED SUPERSYMMETRY BREAKING; DECAY AB Results are presented from a search for long-lived neutralinos decaying into a photon and an invisible particle, a signature associated with gauge-mediated supersymmetry breaking in supersymmetric models. The analysis is based on a 4.9 fb(-1) sample of proton-proton collisions at root s = 7 TeV, collected with the CMS detector at the LHC. The missing transverse energy and the time of arrival of the photon at the electromagnetic calorimeter are used to search for an excess of events over the expected background. No significant excess is observed, and lower limits at the 95% confidence level are obtained on the mass of the lightest neutralino, m > 220 GeV (for c tau < 500 mm), as well as on the proper decay length of the lightest neutralino, c tau > 6000 mm (for m < 150 GeV). (c) 2013 CERN. Published by Elsevier B.V. All rights reserved. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; CMS Collaboration] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Aguilo, E.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. M.; Hammer, J.; Hoermann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knuenz, V.; Krammer, M.; Kraetschmer, I.; Liko, D.; Mikulec, I.; Pernicka, M.; Rahbaran, B.; Rohringer, C.; Rohringer, H.; Schoefbeck, R.; Strauss, J.; Taurok, A.; Waltenberger, W.; Walzel, G.; Widl, E.; Wulz, C. -E.] Inst Hochenergiephys OeAW, Vienna, Austria. 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[Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. l.; Odorici, E.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] INFN Sez Bologna, Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. l.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] INFN Sez Catania, Catania, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] INFN Sez Firenze, Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Colafranceschi, S.; Fabbri, E.; Piccolo, D.] INFN Lab Nazl Frascati, Frascati, Italy. [Fabbricatore, P.; Musenich, R.; Tosi, S.] INFN Sez Genova, Genoa, Italy. [Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Sala, S.; de Fatis, T. Tabarelli] INFN Sez Milano Bicocca, Milan, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Ghezzi, A.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Montoya, C. A. Carrillo; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, E.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] INFN Sez Napoli, Naples, Italy. [De Cosa, A.; Dogangun, O.; Iorio, A. O. M.; Merola, M.] Univ Naples Federico II, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Gasparini, E.; Gonella, E.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] INFN Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Gasparini, E.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento Trento, Padua, Italy. [Gabusi, M.; Ratti, S. R.; Riccardi, C.; Torre, R.; Vitulo, P.] INFN Sez Pavia, Pavia, Italy. [Gabusi, M.; Ratti, S. R.; Riccardi, C.; Torre, R.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Taroni, S.; Pioppi, M.] INFN Sez Perugia, Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Taroni, S.; Pioppi, M.] Univ Perugia, I-06100 Perugia, Italy. [Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Serban, A. T.; Spagnolo, R.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] INFN Sez Pisa, Pisa, Italy. [Fiori, F.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Azzurri, P.; Broccolo, G.; D'Agnolo, R. T.; Foa, L.; Ligabue, F.; Rolandi, G.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, E.; Del Re, D.; Diemoz, M.; Fanelli, C.; Grassi, M.; Longo, E.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Sigamani, M.; Soffi, L.; Rovelli, C.] INFN Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Fanelli, C.; Grassi, M.; Longo, E.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.; Rovelli, C.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Cartiglia, N.; Costa, M.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Pereira, A. Vilela] INFN Sez Torino, Turin, Italy. [Amapane, N.; Argiro, S.; Costa, M.; Migliore, E.; Monaco, V.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientate Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.] INFN Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Heo, S. G.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Kim, D. H.; Kim, G. N.; Kong, D. J.; Park, H.; Ro, S. R.; Son, D. C.; Son, T.; Kamon, T.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, T. J.; Lee, Ks.; Moon, D. H.; Park, S. K.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Cho, Y.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De la Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Magana Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Bell, A. J.; Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Ansari, M. H.; Asghar, M. I.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; Gokieli, R.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Belotelov, I.; Bunin, P.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Kozlov, G.; Laney, A.; Malakhov, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Smirnov, V.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Evstyukhin, S.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, R.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Kossov, M.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Popov, A.; Sarycheva, L.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; Codispoti, G.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Piedra Gomez, J.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Jorda, C.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] CSIC Univ Cantabria, Inst Fis Cantabria IFCA, Santander, Spain. [Genchev, V.; Iaydjiev, P.; Puljak, I.; Chierici, R.; Guthoff, M.; Calabria, C.; De Filippis, N.; Fasanella, D.; Meneghelli, M.; Di Matteo, L.; Massironi, A.; De Cosa, A.; Bacchetta, N.; Branca, A.; D'Agnolo, R. T.; Fiori, F.; Squillacioti, P.; Grassi, M.; Meridiani, P.; Mariotti, C.; Musich, M.; Marone, M.; Montanino, D.; Grishin, V.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, R.; Ball, A. H.; Barney, D.; Benitez, J. F.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; D'Enterria, D.; Dabrowski, A.; De Roeck, A.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Frisch, B.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, E.; Garrido, R. Gomez-Reino; Govoni, P.; Gowdy, S.; Hansen, M.; Harris, P.; Hartl, C.; Harvey, J.; Hegner, B.; Hinzmann, A.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Kousouris, K.; Lecoq, P.; Lee, Y. -J.; Lenzi, P.; Lourenco, C.; Magini, N.; Maeki, T.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, E.; Mersi, S.; Meschi, E.; Moser, R.; Mozer, M. U.; Mulders, M.; Musella, P.; Nesvold, E.; Orimoto, T.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rovelli, C.; Rovere, M.; Sakulin, H.; Santanastasio, E.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Sibille, J.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Baeni, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eugster, J.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Mohr, N.; Moortgat, F.; Naegeli, C.; Net, P.; Nessi-Tedaldi, F.; Pandolfi, E.; Pape, L.; Pauss, F.; Peruzzi, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, H. A.; Wehrli, L.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Rikova, M. Ivova; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Tupputi, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Chang, Y. H.; Chen, K. H.; Kuo, C. M.; Li, S. W.; Lin, W.; Liu, Z. K.; Lu, Y. J.; Mekterovic, D.; Singh, A. P.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wan, X.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Srimanobhas, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Karaman, T.; Karapinar, G.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Guilmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Cankocak, K.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Bostock, F.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Worm, S. D.; Newbold, D. M.; Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Ball, G.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Papageorgiou, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Ryan, M. J.; Seez, C.; Sharp, P.; Sparrow, A.; Stoye, M.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Hatakeyama, K.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; St John, J.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Nguyen, D.; Segala, M.; Sinthuprasith, T.; Speer, T.; Tsang, K. V.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Dolen, J.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Mall, O.; Miceli, T.; Pellett, D.; Ricci-Tam, E.; Rutherfor, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Sierra, R. Vasquez] Univ Calif Davis, Davis, CA 95616 USA. [Felcini, M.; Andreev, V.; Cline, D.; Cousins, R.; Duris, J.; Erhan, S.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Plager, C.; Rakness, G.; Schlein, P.; Traczyk, P.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Dinardo, M. E.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Jeng, G. Y.; Liu, H.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Golf, F.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; Incandela, J.; Justus, C.; Kalavase, P.; Koay, S. A.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Mccoll, N.; Pavlunin, V.; Rebassoo, F.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dubinin, M.; Apresyan, A.; Bornheim, A.; Chen, Y.; Di Marco, E.; Duarte, J.; Gataullin, M.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA USA. [Akgun, B.; Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Heltsley, B.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bloch, I.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Green, D.; Gutsche, O.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kilminster, B.; Klima, B.; Kunori, S.; Kwan, S.; Leonidopoulos, C.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Yang, F.; Yumiceva, F.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, L. K.; Gartner, J.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Park, M.; Remington, R.; Rinkevicius, A.; Sellers, P.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Aarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Vodopiyanov, L.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Hofman, D. J.; Khalatyan, S.; Lacroix, F.; Malek, M.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Duru, F.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; One, Y.; Ozok, E.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Rappoccio, S.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Tinti, G.; Wood, J. S.; Zhukova, V.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Boutemeur, M.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.; Twedt, E.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Hahn, K. A.; Kim, Y.; Klute, M.; Krajczar, K.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.] MIT, Cambridge, MA 02139 USA. [Cooper, S. I.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Butt, J.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malbouisson, H.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Nash, D.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Kubik, A.; Mucia, N.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Antonelli, L.; Berry, D.; Brinkerhoff, A.; Chan, K. M.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Bylsma, B.; Durkin, L. S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Vuosalo, C.; Williams, G.; Winer, B. L.] Ohio State Univ, Columbus, OH USA. [Adam, N.; Berry, E.; Elmer, P.; Gerbaudo, D.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Pegna, D. Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Safdi, B.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Barnes, V. E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Laasanen, A. T.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Guragain, S.; Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Boulahouache, C.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Chung, Y. S.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY USA. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.; Arora, S.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Rose, K.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.] Rutgers State Univ, Piscataway, NJ USA. [Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Sengupta, S.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Jeong, C.; Kovitanggoon, K.; Lee, S. W.; Libeiro, T.; Roh, Y.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. G.; Florez, C.; Greene, S.; Gurrola, A.; Johns, W.; Kurt, P.; Maguire, C.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN USA. [Arenton, M. W.; Balazs, M.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sakharov, A.] Wayne State Univ, Detroit, MI USA. [Anderson, M.; Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Friis, E.; Gray, L.; Grogg, K. S.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Lazaridis, C.; Leonard, J.; Loveless, R.; Mohapatra, A.; Palmonari, F.; Pierro, G. A.; Ross, I.; Savin, A.; Smith, W. H.; Swanson, J.] Univ Wisconsin, Madison, WI 53706 USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Assran, Y.] Suez Canal Univ, Suez, Egypt. [Elgamma, S.] Zewail City Sci & Technol, Zewail, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Radi, A.] British Univ Egypt, Cairo, Egypt. [Agram, J. -L.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France. [Behrenhoff, W.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Horvath, D.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Vesztergombi, G.; Veres, G. I.] Eotvos Lorand Univ, Budapest, Hungary. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Arfaei, H.; Fahim, A.] Sharif Univ Technol, Tehran, Iran. [Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran. [Safarzadeh, B.] Islamic Azad Univ, Plasma Phys Res Ctr, Sci & Res Branch, Tehran, Iran. [Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy. [Cavallo, N.; Fabozzi, E.] Univ Basilicata, I-85100 Potenza, Italy. [Meola, S.] Univ Guglielmo Marconi, Rome, Italy. [Martini, L.] Univ Siena, I-53100 Siena, Italy. [Serban, A. T.] Univ Bucharest, Fac Phys, Bucharest, Romania. [Rolandi, G.] Sezione Ist Nazl Fis Nucl, Pisa, Italy. [Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Bakirci, M. N.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey. [Cerci, S.; Cerci, D. Sunar; Tali, B.] Adiyaman Univ, Adiyaman, Turkey. [Karapinar, G.] Izmir Inst Technol, Izmir, Turkey. [Sogut, K.] Mersin Univ, Mersin, Turkey. [Squillacioti, P.; Isildak, B.] Ozyegin Univ, Istanbul, Turkey. [Kaya, M.; Kaya, O.] Kafkas Univ, Kars, Turkey. [Ozkorucuklu, S.] Suleyman Demirel Univ, TR-32200 Isparta, Turkey. [Sonmez, N.] Ege Univ, Izmir, Turkey. [Basso, L.; Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Jeng, G. Y.] Univ Sydney, Sydney, NSW 2006, Australia. [Wasserbaech, S.] Utah Valley Univ, Orem, UT USA. [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Ozok, E.] Mimar Sinan Univ, Istanbul, Turkey. RP Alverson, G (reprint author), Northeastern Univ, Boston, MA 02115 USA. EM George.Alverson@cern.ch RI Yazgan, Efe/C-4521-2014; Gerbaudo, Davide/J-4536-2012; Tomei, Thiago/E-7091-2012; Azarkin, Maxim/N-2578-2015; Dubinin, Mikhail/I-3942-2016; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Seixas, Joao/F-5441-2013; Sznajder, Andre/L-1621-2016; Vilela Pereira, Antonio/L-4142-2016; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; My, Salvatore/I-5160-2015; Matorras, Francisco/I-4983-2015; Ragazzi, Stefano/D-2463-2009; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Arce, Pedro/L-1268-2014; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; vilar, rocio/P-8480-2014; Dahms, Torsten/A-8453-2015; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Raidal, Martti/F-4436-2012; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Konecki, Marcin/G-4164-2015; Bedoya, Cristina/K-8066-2014; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Calderon, Alicia/K-3658-2014; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Josa, Isabel/K-5184-2014; Calvo Alamillo, Enrique/L-1203-2014; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Dudko, Lev/D-7127-2012; Tinoco Mendes, Andre David/D-4314-2011; Marlow, Daniel/C-9132-2014; de Jesus Damiao, Dilson/G-6218-2012; Oguri, Vitor/B-5403-2013; Janssen, Xavier/E-1915-2013; Novaes, Sergio/D-3532-2012; Bartalini, Paolo/E-2512-2014; Alves, Gilvan/C-4007-2013; Ligabue, Franco/F-3432-2014; Wulz, Claudia-Elisabeth/H-5657-2011; Codispoti, Giuseppe/F-6574-2014; Montanari, Alessandro/J-2420-2012; Liu, Sheng/K-2815-2013; Zhukov, Valery/K-3615-2013; Venturi, Andrea/J-1877-2012; Wimpenny, Stephen/K-8848-2013; Markina, Anastasia/E-3390-2012; Zalewski, Piotr/H-7335-2013; Lokhtin, Igor/D-7004-2012; Mundim, Luiz/A-1291-2012; Kodolova, Olga/D-7158-2012; Tinti, Gemma/I-5886-2013; Ivanov, Andrew/A-7982-2013; Petrushanko, Sergey/D-6880-2012; Hill, Christopher/B-5371-2012 OI Yazgan, Efe/0000-0001-5732-7950; Gerbaudo, Davide/0000-0002-4463-0878; Tomei, Thiago/0000-0002-1809-5226; Dubinin, Mikhail/0000-0002-7766-7175; Paganoni, Marco/0000-0003-2461-275X; Seixas, Joao/0000-0002-7531-0842; Sznajder, Andre/0000-0001-6998-1108; Vilela Pereira, Antonio/0000-0003-3177-4626; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Ragazzi, Stefano/0000-0001-8219-2074; Rovelli, Tiziano/0000-0002-9746-4842; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Arce, Pedro/0000-0003-3009-0484; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Dahms, Torsten/0000-0003-4274-5476; Grandi, Claudio/0000-0001-5998-3070; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Konecki, Marcin/0000-0001-9482-4841; Bedoya, Cristina/0000-0001-8057-9152; Cerrada, Marcos/0000-0003-0112-1691; Scodellaro, Luca/0000-0002-4974-8330; Calvo Alamillo, Enrique/0000-0002-1100-2963; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Benussi, Luigi/0000-0002-2363-8889; Dudko, Lev/0000-0002-4462-3192; Tinoco Mendes, Andre David/0000-0001-5854-7699; de Jesus Damiao, Dilson/0000-0002-3769-1680; Novaes, Sergio/0000-0003-0471-8549; Ligabue, Franco/0000-0002-1549-7107; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Codispoti, Giuseppe/0000-0003-0217-7021; Montanari, Alessandro/0000-0003-2748-6373; Wimpenny, Stephen/0000-0003-0505-4908; Mundim, Luiz/0000-0001-9964-7805; Ivanov, Andrew/0000-0002-9270-5643; Hill, Christopher/0000-0003-0059-0779 FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER (Estonia) [SF0690030s09]; ERDF (Estonia); Academy of Finland (Finland); MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NKTH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MSTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA) FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NKTH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Republic of Korea); LAS (Lithuania); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); MON, RosAtom, RAS and RFBR (Russia); MSTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (USA). NR 29 TC 22 Z9 22 U1 2 U2 98 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 24 PY 2013 VL 722 IS 4-5 BP 273 EP 294 DI 10.1016/j.physletb.2013.04.027 PG 22 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 153YF UT WOS:000319638000005 ER PT J AU Aad, G Abajyan, T Abbott, B Abdallah, J Khalek, SA Abdelalim, AA Abdinov, O Aben, R Abi, B Abolins, M AbouZeid, S Abramowicz, H Abreu, H Acharya, BS Adamczyk, L Adams, DL Addy, TN Adelman, J Adomeit, S Adragna, P Adye, T Aefsky, S Aguilar-Saavedra, JA Agustoni, M Aharrouche, M Ahlen, SP Ahles, F Ahmad, A Ahsan, M Aielli, G Aring;kesson, TPA Akimoto, G Akimov, AV Alam, MA Albert, J Albrand, S Aleksa, M Aleksandrov, IN Alessandria, F Alexa, C Alexander, G Alexandre, G Alexopoulos, T Alhroob, M Aliev, M Alimonti, G Alison, J Allbrooke, BMM Allport, PP Allwood-Spiers, SE Almond, J Aloisio, A Alon, R Alonso, A Alonso, F Altheimer, A Gonzalez, BA Alviggi, MG Amako, K Amelung, C Ammosov, VV Dos Santos, SPA Ambrim, A Amram, N Anastopoulos, C Ancu, LS 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Yamanaka, T. Yamazaki, T. Yamazaki, Y. Yan, Z. Yang, H. Yang, U. K. Yang, Y. Yang, Z. Yanush, S. Yao, L. Yasu, Y. Yatsenko, E. Ye, J. Ye, S. Yen, A. L. Yilmaz, M. Yoosoofmiya, R. Yorita, K. Yoshida, R. Yoshihara, K. Young, C. Young, C. J. S. Youssef, S. Yu, D. Yu, D. R. Yu, J. Yu, J. Yuan, L. Yurkewicz, A. Zabinski, B. Zaidan, R. Zaitsev, A. M. Zanello, L. Zanzi, D. Zaytsev, A. Zeitnitz, C. Zeman, M. Zemla, A. Zenin, O. Zenis, T. Zerwas, D. della Porta, G. Zevi Zhang, D. Zhang, H. Zhang, J. Zhang, X. Zhang, Z. Zhao, L. Zhao, Z. Zhemchugov, A. Zhong, J. Zhou, B. Zhou, N. Zhou, Y. Zhu, C. G. Zhu, H. Zhu, J. Zhu, Y. Zhuang, X. Zhuravlov, V. Zibell, A. Zieminska, D. Zimin, N. I. Zimmermann, R. Zimmermann, S. Zimmermann, S. Zinonos, Z. Ziolkowski, M. Zitoun, R. Zivkovic, L. Zmouchko, V. V. Zobernig, G. Zoccoli, A. zur Nedden, M. Zutshi, V. Zwalinski, L. CA ATLAS Collaboration TI Search for long-lived, multi-charged particles in pp collisions at root s=7 TeV using the ATLAS detector SO PHYSICS LETTERS B LA English DT Article DE High-energy collider experiment; Long-lived particle; Highly ionising; New physics; Multiple electric charges ID DARK-MATTER; Q-BALLS; LHC AB A search for highly ionising, penetrating particles with electric charges from vertical bar q vertical bar = 2e to 6e is performed using the ATLAS detector at the CERN Large Hadron Collider. Proton-proton collision data taken at root s = 7 TeV during the 2011 running period, corresponding to an integrated luminosity of 4.4 fb(-1), are analysed. No signal candidates are observed, and 95% confidence level cross-section upper limits are interpreted as mass-exclusion lower limits for a simplified Drell-Yan production model. In this model, masses are excluded from 50 GeV up to 430, 480, 490, 470 and 420 GeV for charges 2e, 3e, 4e, 5e and 6e, respectively. (c) 2013 CERN. 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[Abajyan, T.; Arutinov, D.; Backhaus, M.; Barbero, M.; Bechtle, P.; Brock, I.; Cristinziani, M.; Davey, W.; Desch, K.; Dingfelder, J. J.; Gaycken, G.; Geich-Gimbe, Ch.; Glatzer, J.; Gonella, L.; Haefner, P.; Havranek, M.; Hellmich, D.; Hillert, S.; Huegging, F.; Janssen, J.; Karagounis, M.; Khoriauli, G.; Koevesarki, R.; Kostyukhin, V. V.; Kraus, J. K.; Kroseberg, J.; Krueger, H.; Lapoire, C.; Lehmacher, M.; Leyko, A. M.; Limbach, C.; Loddenkoetter, T.; Mazur, M.; Moeser, N.; Mueller, K.; Nanava, G.; Nattermann, T.; Nuncio-Quiroz, A. -E.; Pohl, D.; Psoroulas, S.; Sarrazin, B.; Schaepe, S.; Schmieden, K.; Schultens, M. J.; Schwindt, T.; Stillings, J. A.; Therhaag, J.; Tsung, J. -W.; Uchida, K.; Uhlenbrock, M.; Urquijo, P.; Vogel, A.; von Toerne, E.; Wagner, P.; Wang, T.; Wermes, N.; Wienemann, P.; Wiik-Fuchs, L. A. M.; Zimmermann, R.; Zimmermann, S.] Univ Bonn, Inst Phys, Bonn, 02215, Germany. [Ahlen, S. P.; Black, K. M.; Butler, J. M.; Dell'Asta, L.; Helary, L.; Shank, J. T.; Yan, Z.; Youssef, S.] Boston Univ, Dept Phys, Boston, MA 02254 USA. [Aefsky, S.; Amelung, C.; Bensinger, J. R.; Bianchini, L.; Blocker, C.; Coffey, L.; Daya-Ishmukhametova, R. K.; Gozpinar, S.; Pomeroy, D.; Sciolla, G.] Brandeis Univ, Dept Phys, Waltham, MA USA. [Caloba, L. P.; Maidantchik, C.; Marroquim, F.; Nepomuceno, A. A.; Perantoni, M.; Seixas, J. M.] Univ Fed Rio de Janeiro COPPE EE IF, Rio De Janeiro, Brazil. [Cerqueira, A. S.; Manhaes de Andrade Filho, L.] Fed Univ Juiz de Fora UFJF, Juiz De Fora, Brazil. [do Vale, M. A. B.] Fed Univ Sao Joao del Rei UFSJ, BR-01498 Sao Joao Del Rei, Brazil. [Donadelli, M.; Leite, M. A. L.] Univ Sao Paulo, Inst Fis, Sao Paulo, 11973, Brazil. [Adams, D. L.; Assamagan, K.; Baker, M. D.; Begel, M.; Bernius, C.; Chen, H.; Chernyatin, V.; Debbe, R.; Dhullipudi, R.; Ernst, M.; Gadfort, T.; Gibbard, B.; Gordon, H. A.; Greenwood, Z. D.; Klimentov, Ab. A.; Kravchenko, A.; Lanni, F.; Lissauer, D.; Lynn, D.; Ma, H.; Maeno, T.; Majewski, S.; Metcalfe, T. J.; Nevski, P.; Okawa, H.; Damazio, D. Oliveira; Paige, F.; Panitkin, S.; Park, W.; Pleier, M. -A.; Poblaguev, A.; Polychronakos, V.; Pravahan, R.; Protopopescu, S.; Purohit, M.; Radeka, V.; Rahm, D.; Rajagopalan, S.; Redlinger, G.; Sawyer, L.; Sircar, A.; Snyder, S.; Steinberg, P.; Stumer, I.; Subramaniam, R.; Takai, H.; Tamsett, M. C.; Triplett, N.; Undrus, A.; Wenaus, T.; Ye, S.; Yu, D.; Zaytsev, A.] Brookhaven Natl Lab, Dept Phys, Upton, NY USA. [Alexa, C.; Badescu, E.; Buda, S. I.; Caprini, I.; Caprini, M.; Chitan, A.; Ciubancan, M.; Constantinescu, S.; Cuciuc, C. -M.; Dinut, F.; Dita, P.; Dita, S.; Micu, L.; Olariu, A.; Pantea, D.; Popeneciu, G. A.; Rotaru, M.; Stoicea, G.; Tudorache, A.; Tudorache, V.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Darlea, G. L.] Univ Politehn Bucuresti, Bucharest, Romania. West Univ Timisoara, Timisoara, Romania. [Gonzalez Silva, M. L.; Otero y Garzon, G.; Piegaia, R.; Romeo, G.] Univ Buenos Aires, Dept Fis, Buenos Aires CB3 0HE, DF, Argentina. [Ask, S.; Barlow, N.; Batley, J. R.; Brochu, F. M.; Buttinger, W.; Carter, J. R.; Chapman, J. D.; French, S. T.; Frost, J. A.; Hill, J. C.; Kaneti, S.; Khoo, T. J.; Lester, C. G.; Moeller, V.; Parker, M. A.; Robinson, D.; Sandoval, T.; Thomson, M.; Ward, C. P.; Williams, S.] Univ Cambridge, Cavendish Lab, Cambridge, K1S 5B6, England. [Asner, D.; Gillberg, D.; Koffas, T.; Lacey, J.; Liu, C.; Marchand, J. F.; McCarthy, T. G.; Oakham, F. G.; Randrianarivony, K.; Tarrade, F.; Ueno, R.; Vincter, M. G.; Whalen, K.] Carleton Univ, Dept Phys, Ottawa, ON, Canada. [Aleksa, M.; Anastopoulos, C.; Anghinolfi, F.; Avolio, G.; Baak, M. A.; Banfi, D.; Battistin, M.; Bellomo, M.; Beltramello, O.; Berge, D.; Bianchi, R. M.; Bogaerts, J. A.; Boyd, J.; Bremer, J.; Burckhart, H.; Byszewski, M.; Campana, S.; Garrido, M. D. M. Capeans; Carli, T.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Barajas, C. A. Chavez; Childers, J. T.; Chromek-Burckhart, D.; Cote, D.; Danielsson, H. O.; Dell'Acqua, A.; Di Girolamo, A.; Di Girolamo, B.; Di Micco, B.; Dittus, F.; Dobos, D.; Dobson, E.; Dopke, J.; Dudarev, A.; Duehrssen, M.; Ellis, N.; Elsing, M.; Fabre, C.; Farthouat, P.; Fassnacht, P.; Francis, D.; Franz, S.; Froidevaux, D.; Gabaldon, C.; Garelli, N.; Garonne, V.; Gianotti, E.; Gibson, S. M.; Godlewski, T. J.; Goossens, L.; Gorini, B.; Gray, H. M.; Haas, S.; Hahn, F.; Hauschild, M.; Hawkings, R. J.; Heller, M.; Correia, A. M. Henriques; Hervas, L.; Hoecker, A.; Hubacek, Z.; Huhtinen, M.; Jaekel, M. R.; Jansen, H.; Jenni, R.; Juram, C.; Jungst, R. M.; Kaneda, M.; Kerschen, N.; Klioutchnikova, T.; Koeneke, K.; Lantzsch, K.; Lassnig, M.; Miotto, G. Lehmann; Lenzi, B.; Lichard, P.; Macina, D.; Malaescu, B.; Malyukov, S.; Mapelli, A.; Mapelli, L.; Marshall, Z.; Martin, B.; Messina, A.; Michal, S.; Molfetas, A.; Morley, A. K.; Mornacchi, G.; Muenstermann, D.; Nairz, A. M.; Nakahama, Y.; Negri, G.; Nessi, M.; Nordberg, M.; Ohm, C. C.; Palestini, S.; Pauly, T.; Pernegger, H.; Peters, K.; Petersen, B. A.; Petersen, J.; Piacquadio, G.; Pommes, K.; Poppleton, A.; Bueso, X. Portell; Poulard, G.; Prasad, S.; Raymond, M.; Rembser, C.; Dos Santos, D. Roda; Roe, S.; Salek, D.; Salzburger, A.; Savu, D. O.; Schlenker, S.; Sfyrla, A.; Spigo, G.; Spiwoks, R.; Stewart, G. A.; Teischinger, F. A.; Ten Kate, H.; Tremblet, L.; Tricoli, A.; Tsarouchas, C.; Unal, G.; van der Ster, D.; van Eldik, N.; Vandelli, W.; Veness, R.; Vinek, E.; Voss, R.; Vuillermet, R.; Wells, P. S.; Wengler, T.; Wenig, S.; Werner, P.; Wilkens, H. G.; Winklmeier, F.; Wotschack, J.; Zwalinski, L.] CERN, Geneva, 60637, Switzerland. [Anderson, K. J.; Boveia, A.; Canelli, F.; Cheng, Y.; Choudalakis, G.; Fiascaris, M.; Gardner, R. W.; Jen-La Plante, I.; Kapliy, A.; Li, H. L.; Meehan, S.; Melachrinos, C.; Merritt, F. S.; Meyer, C.; Miller, D. W.; Okumura, Y.; Onyisi, P. U. E.; Oreglia, M. J.; Penning, B.; Pilcher, J. E.; Shochet, M. J.; Tompkins, L.; Tuggle, J. M.; Vukotic, I.; Webster, J. S.] Univ Chicago, Enrico Fermi Inst, Chicago, IL USA. [Diaz, M. A.; Olivares Pino, S. A.] Pontificia Univ Catolica Chile, Dept Fis, Santiago, Chile. [Brooks, W. K.; Carquin, E.; Kuleshov, S.; Pezoa, R.; Prokoshin, F.] Univ Tecn Federico Santa Maria, Dept Fis, Valparaiso, Chile. [Bai, Y.; Fang, Y.; Jin, S.; Lu, F.; Ouyang, Q.; Ruan, X.; Wang, J.; Xu, D.; Yao, L.] Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. [Han, L.; Jiang, Y.; Li, B.; Li, S.; Liu, M.; Liu, Y.; Peng, H.; Wu, Y.; Xu, C.; Xu, L.; Zhao, Z.; Zhu, Y.] Univ Sci & Technol China, Dept Modern Phys, Hefei, Anhui, Peoples R China. [Chen, S.] Nanjing Univ, Dept Phys, Nanjing, Jiangsu, Peoples R China. [Feng, C.; Ge, P.; Meng, Z.; Zhang, X.; Zhu, C. G.] Shandong Univ, Sch Phys, Jinan 200030, Shandong, Peoples R China. Shanghai Jiao Tong Univ, Dept Phys, Shanghai, Peoples R China. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Donini, J.; Ghodbane, N.; Gris, Ph.; Groth-Jensen, J.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Vazeille, F.] Clermont Univ, Phys Corpusculaire Lab, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Donini, J.; Ghodbane, N.; Gris, Ph.; Groth-Jensen, J.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Vazeille, F.] Univ Clermont Ferrand, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Donini, J.; Ghodbane, N.; Gris, Ph.; Groth-Jensen, J.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Vazeille, F.] CNRS IN2P3, Clermont Ferrand, France. [Altheimer, A.; Andeen, T.; Angerami, A.; Bain, T.; Brooijmans, G.; Chen, Y.; Dodd, J.; Grau, N.; Guo, J.; Hu, D.; Hughes, E. W.; Nikiforou, N.; Parsons, J. A.; Penson, A.; Perez, K.; Reale, V. Perez; Scherzer, M. I.; Spousta, M.; Thompson, E. N.; Tian, F.; Tuts, P. M.; Urbani, D.; Williams, E.; Willis, W.; Wulf, E.; Zivkovic, L.] Columbia Univ, Nevis Lab, Irvington, NY USA. [Alonso, A.; Boelaert, N.; Dam, M.; Gregersen, K.; Hansen, J. R.; Hansen, J. B.; Hansen, J. D.; Hansen, P. H.; Heisterkamp, S.; Jakobsen, S.; Jez, P.; Joergensen, M. D.; Kadlecik, P.; Klinkby, E. B.; Loevschall-Jensen, A. E.; Lundquist, J.; Mackeprang, R.; Mehlhase, S.; Petersen, T. C.; Pingel, A.; Simonyan, M.; Thomsen, L. A.; Xella, S.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Capua, M.; Crosetti, G.; La Rotonda, L.; Lavorini, V.; Mastroberardino, A.; Morello, G.; Policicchio, A.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] INFN Grp Collegato Cosenza, I-87036 Arcavacata Di Rende, Italy. [Capua, M.; Crosetti, G.; La Rotonda, L.; Lavorini, V.; Mastroberardino, A.; Morello, G.; Policicchio, A.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dipartimento Fis, Arcavacata Di Rende, Italy. [Adamczyk, L.; Bold, T.; Dabrowski, W.; Dwuznik, M.; Grabowska-Bold, I.; Kisielewska, D.; Koperny, S.; Mindur, B.; Przybycien, M.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Banas, E.; Blocki, J.; de Renstrom, P. A. Bruckman; Derendarz, D.; Gornicki, E.; Hajduk, Z.; Iwanski, W.; Kaczmarska, A.; Korcyl, K.; Malecki, Pa.; Maecki, P.; Olszewski, A.; Olszowska, J.; Stanek, E.; Staszewski, R.; Trzebinski, M.; Trzupek, A.; Turala, M.; Wolter, M. W.; Wosiek, B. K.; Wozniak, K. W.; Zabinski, B.; Zemla, A.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, 75275, Poland. [Yagci, K. Dindar; Firan, A.; Hoffman, J.; Joffe, D.; Kama, S.; Kehoe, R.; Randle-Conde, A. S.; Rios, R. R.; Sekula, S. J.; Stroynowski, R.; Wang, H.; Ye, J.] So Methodist Univ, Dept Phys, Dallas, TX 75230 USA. [Ahsan, M.; Izen, J. M.; Lou, X.; Reeves, K.; Wong, W. C.] Univ Texas Dallas, Dept Phys, Dallas, TX USA. [Argyropoulos, S.; Kuutmann, E. Bergeaas; Bloch, I.; Dassoulas, J. A.; Dietrich, J.; Ehrenfeld, W.; Ferrara, V.; Fischer, G.; Friedrich, C.; Glazov, A.; Goebel, M.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Hiller, K. H.; Huettmann, A.; Belenguer, M. Jimenez; Johnert, S.; Katzy, J.; Kono, T.; Kuhl, T.; Lange, C.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Cavalcanti, T. Perez; Petschull, D.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Sedov, G.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, R.; Viti, M.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Zhu, H.] DESY, Hamburg, Germany. [Argyropoulos, S.; Kuutmann, E. Bergeaas; Bloch, I.; Dassoulas, J. A.; Dietrich, J.; Ehrenfeld, W.; Ferrara, V.; Fischer, G.; Friedrich, C.; Glazov, A.; Goebel, M.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Hiller, K. H.; Huettmann, A.; Belenguer, M. Jimenez; Johnert, S.; Katzy, J.; Kono, T.; Kuhl, T.; Lange, C.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Cavalcanti, T. Perez; Petschull, D.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Sedov, G.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, R.; Viti, M.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Zhu, H.] DESY, Zeuthen, Germany. [Bunse, M.; Esch, H.; Goessling, C.; Hirsch, F.; Jung, C. A.; Klingenberg, R.; Reisinger, I.] Tech Univ Dortmund, Inst Expt Phys 4, D-01062 Dortmund, Germany. [Anger, P.; Czodrowski, P.; Friedrich, F.; Goepfert, T.; Kobel, M.; Leonhardt, K.; Mader, W. F.; Morgenstern, M.; Prudent, X.; Rudolph, C.; Schnoor, U.; Schwierz, R.; Seifert, F.; Steinbach, P.; Straessner, A.; Vest, A.; Wahrmund, S.] Tech Univ Dresden, Inst Kern & Teilchenphys, Dresden, 27706, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Ebenstein, W. L.; Fowler, A. J.; Ko, B. R.; Kotwal, A.; Kruse, M. K.; Oh, S. H.; Wang, C.] Duke Univ, Dept Phys, Durham, NC USA. [Bhimji, W.; Buckley, A. G.; Clark, P. J.; Debenedetti, C.; Harrington, R. D.; Martin, V. J.; O'Brien, B. J.; Schaelicke, A.; Selbach, K. E.; Smart, B. H.; Washbrook, A.; Wynne, B. M.] Univ Edinburgh, SUPA Sch Phys & Astron, Edinburgh, Midlothian, Scotland. [Annovi, A.; Antonelli, M.; Bilokon, H.; Curatolo, M.; Di Nardo, R.; Esposito, B.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.] INFN Lab Nazl Frascati, D-79106 Frascati, Italy. [Aad, G.; Ahles, F.; Barber, T.; Bernhard, R.; Boehler, M.; Bruneliere, R.; Christov, A.; Consorti, V.; Fehling-Kaschek, M.; Flech, M.; Hartert, J.; Herten, G.; Horner, S.; Jakobs, K.; Janus, M.; Kononov, A. I.; Kuehn, S.; Lai, S.; Landgraf, U.; Lohwasser, K.; Ludwig, I.; Ludwig, J.; Mahboubi, K.; Nilsen, H.; Parzefall, U.; Rammensee, M.; Rave, T. C.; Rurikova, Z.; Ruthmann, N.; Schmidt, E.; Schumacher, M.; Siegert, F.; Stoerig, K.; Sundermann, J. E.; Temming, K. K.; Thoma, S.; Tsiskaridze, V.; Ungaro, F. C.; Venturi, M.; Vivarelli, I.; von Radziewski, H.; Anh, T. Vu; Warsinsky, M.; Weiser, C.; Werner, M.; Winkelmann, S.; Xie, S.; Zimmermann, S.] Univ Freiburg, Fak Math & Phys, Freiburg, Germany. [Abdelalim, A. A.; Alexandre, G.; Backes, M.; Barone, G.; Bell, P. J.; Bell, W. H.; Noccioli, E. Benhar; Blondel, A.; Bucci, F.; Clark, A.; Dao, V.; Doglioni, C.; Ferrere, D.; Gadomski, S.; Gonzalez-Sevilla, S.; Goulette, M. P.; Iacobucci, G.; La Rosa, A.; Lister, A.; Latour, B. Martin Dit; Mermod, P.; Herrera, C. Mora; Nektarijevic, S.; Nessi, M.; Nikolics, K.; Pasztor, G.; Picazio, A.; Pohl, M.; Rosbach, K.; Rosselet, L.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Beccherle, R.; Caso, C.; Dameri, M.; Darbo, G.; Parodi, A. Ferretto; Gagliardi, G.; Gemme, C.; Guido, E.; Morettini, P.; Osculati, B.; Parodi, F.; Passaggio, S.; Rossi, L. P.; Schiavi, C.] INFN Sez Genova, Genoa, Italy. [Barberis, D.; Caso, C.; Dameri, M.; Parodi, A. Ferretto; Gagliardi, G.; Guido, E.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Chikovani, L.; Tskhadadze, E. G.] Iv Javakhishvili Tbilisi State Univ, E Andronikashvili Inst Phys, Tbilisi, Rep of Georgia. [Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.] Tbilisi State Univ, Inst High Energy Phys, Tbilisi, Rep of Georgia. [Jueren, M.; Kreutzfeldt, K.; Stenzel, H.] Univ Giessen, Inst Phys 2, Giessen, Germany. [Allwood-Spiers, S. E.; Bates, R. L.; Britton, D.; Bussey, P.; Buttar, C. M.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Edwards, N. C.; Ferrag, S.; Ferrando, J.; de Lima, D. E. Ferreira; Gemmell, A.; Gul, U.; Kar, D.; Kenyon, M.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Robson, A.; Saxon, D. H.; Smith, K. M.; St Denis, R. D.; Steele, G.; Thompson, A. S.; Wraight, K.; Wright, M.] Univ Glasgow, SUPA Sch Phys & Astron, Glasgow, Lanark, Scotland. [Bierwagen, K.; Blumenschein, U.; Brandt, O.; Evangelakou, D.; George, M.; Guindon, S.; Hamer, M.; Hense, C.; Keil, M.; Knue, A.; Kohn, F.; Krieger, N.; Kroeninger, K.; Lemmer, B.; Magradze, E.; Meyer, J.; Morel, J.; Nackenhorst, O.; Pashapour, S.; Quadt, A.; Roe, A.; Schorlemmer, A. L. S.; Serkin, L.; Shabalina, E.; Uhrmacher, M.; Schroeder, T. Vazquez; Weingarten, J.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Andrieux, M-L.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Genest, M. H.; Hostachy, J-Y.; Laisrie, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Stark, J.; Sun, X.; Trocme, B.] Univ Grenoble 1, Lab Phys Subatom & Cosmol, Grenoble, France. [Albrand, S.; Andrieux, M-L.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Genest, M. H.; Hostachy, J-Y.; Laisrie, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Stark, J.; Sun, X.; Trocme, B.] CNRS IN2P3, F-38031 Grenoble, France. [Albrand, S.; Andrieux, M-L.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Genest, M. H.; Hostachy, J-Y.; Laisrie, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Stark, J.; Sun, X.; Trocme, B.] Inst Natl Polytech Grenoble, Grenoble, 23668, France. [Addy, T. N.; Harvey, A.; McFarlane, K. W.; Shin, T.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 02138 USA. [da Costa, J. Barreiro Guimaraes; Belloni, A.; Conti, G.; Franklin, M.; Huth, J. J.; Jeanty, L.; Kagan, M.; Mateos, D. Lopez; Outschoorn, V. Martinez; Mercurio, K. M.; Mills, C.; Morii, M.; Skottowe, H. P.; Smith, B. C.; Yen, A. L.; della Porta, G. Zevi] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA USA. [Anders, G.; Andrei, V.; Davygora, Y.; Dietzsch, T. A.; Dunford, M.; Geweniger, C.; Hanke, P.; Henke, M.; Khomich, A.; Kluge, E. -E.; Lang, V. S.; Lendermann, V.; Lepold, F.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulona, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Anders, C. F.; Karnevskiy, M.; Kasieczka, G.; Narayan, R.; Schmitt, S.; Schoening, A.] Heidelberg Univ, Inst Phys, Heidelberg, Germany. [Kugel, A.; Maenner, R.; Schroer, N.] Heidelberg Univ, ZITI Inst Tech Informat, Heidelberg, Germany. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, 47405, Japan. [Brunet, S.; Cwetanski, P.; Evans, H.; Gagnon, R.; Luehring, F.; Ogren, H.; Penwell, J.; Poveda, J.; Price, D.; Whittington, D.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN USA. [Epp, B.; Jussel, R.; Kneringer, E.; Kuhn, D.; Lukas, W.; Rudolph, G.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Behera, P. K.; Limper, M.; Mallik, U.; Mandrysch, R.; Pylypchenko, Y.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; De Lorenzi, F.; Dudziak, F.; Krumnack, N.; Prell, S.; Ruiz-Martinez, A.; Shrestha, S.; Yamamoto, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Aleksandrov, I. N.; Bardin, D. Y.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chizhov, M. V.; Dedovich, D. V.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Grohsjean, A.; Huseynov, N.; Kalinovskaya, L. V.; Kazarinov, M. Y.; Kekelidze, G. D.; Khramov, E.; Kolesnikov, V.; Kotov, V. M.; Kruchonak, U.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Minashvili, I. A.; Mineev, M.; Olchevski, A. G.; Peshekhonov, V. D.; Plotnikova, E.; Pozdnyakov, V.; Rumyantsev, L.; Rusakovich, N. A.; Sadykov, R.; Shiyakova, M.; Sisakyan, A. N.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.; Zimin, N. I.] Joint Inst Nucl Res Dubna, Joint Inst Nucl Res, Dubna, Russia. [Amako, K.; Arai, Y.; Doi, Y.; Haruyama, T.; Ikegami, Y.; Ikeno, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Makida, Y.; Manabe, A.; Mitsui, S.; Nagano, K.; Nozaki, M.; Odaka, S.; Sasaki, O.; Suzuki, Y.; Takubo, Y.; Tanaka, S.; Terada, S.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yamazaki, Y.; Yasu, Y.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki 657, Japan. [Hayakawa, T.; King, M.; Kishimoto, T.; Kitamura, T.; Kurashige, H.; Matsushita, T.; Ochi, A.; Suzuki, Y.; Takeda, H.; Tani, K.; Watanabe, I.; Yuan, L.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo, Japan. [Ishino, M.; Sasao, N.; Sumida, T.] Kyoto Univ, Fac Sci, Kyoto 612, Japan. [Takashima, R.] Kyoto Univ, Kyoto 812, Japan. [Kawagoe, K.; Oda, S.; Tojo, J.] Kyushu Univ, Dept Phys, Fukuoka, Japan. [Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Univ Nacl La Plata, Inst Fis La Plata, La Plata, Buenos Aires, Argentina. [Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Barton, A. E.; Borissov, G.; Bouhova-Thacker, E. V.; Chilingarov, A.; Davidson, R.; de Mora, L.; Dearnaley, W. J.; Fox, H.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Maddocks, H. J.; Smizanska, M.; Walder, J.] Univ Lancaster, Dept Phys, Lancaster, England. [Bianco, M.; Cataldi, G.; Chiodini, G.; Gorini, E.; Grancagnoloa, F.; Perrino, R.; Primavera, M.; Spagnolo, S.; Ventura, A.] INFN Sez Lecce, Lecce, Italy. [Bianco, M.; Gorini, E.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Matemat & Fis, Lecce L69 3BX, Italy. [Allport, P. P.; Bundock, A. C.; Burdin, S.; D'Onofrio, M.; Dervan, P.; Greenshaw, T.; Gwilliam, C. B.; Hayward, H. S.; Jackson, J. N.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kluge, T.; Kretzschmar, J.; Laycock, P.; Mahmoud, S.; Maxfield, S. J.; Mehta, A.; Migas, S.; Price, J.; Sellers, G.; Vossebeld, J. H.; Waller, P.; Wrona, B.] Univ Liverpool, Oliver Lodge Lab, Liverpool, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Univ Ljubljana, Ljubljana, Slovenia. [Adragna, P.; Bona, M.; Carter, A. A.; Cerrito, L.; Eisenhandler, E.; Ellis, K.; Goddard, J. R.; Landon, M. P. J.; Lloyd, S. L.; Morris, J. D.; Piccaro, E.; Poll, J.; Rizvi, E.; Salamanna, G.; Castanheira, M. Teixeira Dias; Wiglesworth, C.] Queen Mary Univ London, Sch Phys & Astron, London, England. [Alam, M. A.; Berry, T.; Boisvert, V.; Brooks, T.; Cantrill, R.; Duguid, L.; Edwards, C. A.; George, S.; Goncalo, R.; Hayden, D.; Vazquez, J. G. Panduro; Pastore, Fr.; Rose, M.; Spano, F.; Strong, J. A.; Teixeira-Dias, P.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, S.; Bernat, P.; Bieniek, S. P.; Butterworth, J. M.; Campanelli, M.; Chislett, R. T.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Dobson, E.; Hesketh, G. G.; Jansen, E.; Konstantinidis, N.; Lambourne, L.; Monk, J.; Nash, M.; Nurse, E.; Prabhu, R.; Sherwood, P.; Simmons, B.; Taylor, C.; Wardrope, D. R.; Waugh, B. M.; Wijeratne, P. A.] UCL, Dept Phys & Astron, London, England. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Crescioli, F.; Davignon, O.; De Cecco, S.; Derue, F.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph.; Theveneaux-Pelzer, T.; Torres, H.; Trincaz-Duvoid, S.; Vannucci, F.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Crescioli, F.; Davignon, O.; De Cecco, S.; Derue, F.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph.; Theveneaux-Pelzer, T.; Torres, H.; Trincaz-Duvoid, S.; Vannucci, F.] Univ Paris Diderot, Paris, France. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Crescioli, F.; Davignon, O.; De Cecco, S.; Derue, F.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph.; Theveneaux-Pelzer, T.; Torres, H.; Trincaz-Duvoid, S.; Vannucci, F.] CNRS IN2P3, Paris, France. [Akesson, T. P. A.; Bocchetta, S. S.; Bryngemark, L.; Cowan, G.; Floderus, A.; Hawkins, A. D.; Hedberg, V.; Jarlskog, G.; Lundberg, B.; Lytken, E.; Meirose, B.; Mjornmark, J. U.; Smirnova, O.] Lund Univ, Inst Fys, Lund, Sweden. [Arnal, V.; Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, I.; Glasman, C.; Labarga, L.; Llorente Merino, J.; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor C 15, Madrid, Spain. [Aharrouche, M.; Arnaez, O.; Blum, W.; Buescher, V.; Caputo, R.; Eckweiler, S.; Edmonds, K.; Ellinghaus, F.; Ertel, E.; Fiedler, F.; Fleckner, J.; Goeringer, C.; Handel, C.; Hohlfeld, M.; Hsu, P. J.; Ji, W.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lungwitz, M.; Masetti, L.; Meyer, C.; Moreno, D.; Mueller, T.; Neusiedl, A.; Sander, H. G.; Schaefer, U.; Schmitt, C.; Schott, M.; Schroeder, C.; Simioni, E.; Tapprogge, S.; Wollstadt, S. I.] Johannes Gutenberg Univ Mainz, Inst Phys, Mainz, Germany. [Almond, J.; Borri, M.; Brown, G.; Chavda, V.; Cox, B. E.; Da Via, C.; Duerdoth, I. P.; Forti, A.; Ibbotson, M.; Joshi, K. D.; Klinger, J. A.; Loebinger, F. K.; Marx, M.; Masik, J.; Neep, T. J.; Oh, A.; Owen, M.; Pater, J. R.; Pilkington, A. D.; Robinson, J. E. M.; Snow, S. W.; Watts, S.; Woudstra, M. J.; Yang, U. K.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Aoun, S.; Bee, C. P.; Bertella, C.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Djama, F.; Etienne, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Li, S.; Maurer, J.; Monnier, E.; Odier, J.; Pralavorio, P.; Rozanov, A.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Aoun, S.; Bee, C. P.; Bertella, C.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Djama, F.; Etienne, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Li, S.; Maurer, J.; Monnier, E.; Odier, J.; Pralavorio, P.; Rozanov, A.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] CNRS IN2P3, Marseille, 01003, France. [Brau, B.; Colon, G.; Dallapiccola, C.; Meade, A.; Moyse, E. J. W.; Pais, P.; Pueschel, E.; Varol, T.; Ventura, D.; Willocq, S.] Univ Massachusetts, Dept Phys, Amherst, MA USA. [Belanger-Champagne, C.; Caron, B.; Chapleau, B.; Cheatham, S.; Corriveau, F.; Dobbs, M.; Dufour, M-A.; Klemetti, M.; Mantifel, R.; Mc Donald, I.; Robertson, S. H.; Rios, C. Santamarina; Schram, M.; Stockton, M. C.; Vachon, B.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ 3010, Canada. [Barberio, E. L.; Davidson, N.; Diglio, S.; Hamano, K.; Jennens, D.; Kubota, T.; Limosani, A.; Moorhead, G. F.; Hanninger, G. Nunes; Phan, A.; Shao, Q. T.; Tan, K. G.; Taylor, G. N.; Thong, W. M.; Volpi, M.; White, M. J.] Univ Melbourne, Sch Phys, Melbourne, Vic 48109, Australia. [Armbruster, A. J.; Borroni, S.; Chapman, J. W.; Cirilli, M.; Diehl, E. B.; Ferretti, C.; Goldfarb, S.; Harper, D.; Li, X.; Liu, J. B.; Liu, L.; Mc Kee, S. P.; Neal, H. A.; Panikashvili, N.; Purdham, J.; Qian, J.; Scheirich, D.; Thun, R. P.; Walch, S.; Wilson, A.; Wooden, G.; Wu, Y.; Yang, H.; Zhang, D.; Zhou, B.; Zhu, J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48824 USA. [Abolins, M.; Gonzalez, B. Alvarez; Arabidze, G.; Brock, R.; Bromberg, C.; Caughron, S.; Fedorko, W.; Ge, P.; Hauser, R.; Holzbauer, J. L.; Huston, J.; Koll, I.; Linnemann, J. T.; Martin, B.; Miller, R. J.; Pope, B. G.; Schwienhorst, R.; Stelzer, H. J.; Tollefson, K.; True, P.; Zhang, H.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI USA. [Alessandria, F.; Alimonti, G.; Andreazza, A.; Baccaglioni, G.; Besana, M. I.; Broggi, F.; Carminati, L.; Cavalli, D.; Consonni, S. M.; Costa, G.; Fanti, M.; Favareto, A.; Koletsou, I.; Lari, T.; Mandelli, L.; Mazzanti, M.; Meloni, F.; Meroni, C.; Perini, L.; Pizio, C.; Ragusa, F.; Resconi, S.; Rivoltella, G.; Simoniello, R.; Tartarelli, G. F.; Troncon, C.; Turra, R.; Vegni, G.; Volpini, G.] INFN Sez Milano, Milan, Italy. [Andreazza, A.; Besana, M. I.; Carminati, L.; Consonni, S. M.; Fanti, M.; Favareto, A.; Meloni, F.; Perini, L.; Pizio, C.; Ragusa, F.; Rivoltella, G.; Simoniello, R.; Turra, R.; Vegni, G.] Univ Milan, Dipartimento Fis, Milan, Italy. [Bogouch, A.; Harkusha, S.; Kulchitsky, Y.; Kurochkin, Y. A.; Satsounkevitch, I.] Natl Acad Sci Belarus, BI Stepanov Phys Inst, Minsk, Byelarus. [Yanush, S.] Natl Sci & Educ Ctr Particle & High Energy Phys, Minsk, 02139, Byelarus. [Taylor, F. E.] MIT, Dept Phys, Cambridge, MA USA. [Arguin, J-F.; Azuelos, G.; Banerjee, P.; Bouchami, J.; Dallaire, F.; Davies, M.; Giunta, M.; Leroy, C.; Martin, J. P.; Soueid, P.] Univ Montreal, Grp Particle Phys, Montreal, PQ, Canada. [Akimov, A. V.; Baranov, S. P.; Gavrilenko, I. L.; Komar, A. A.; Mashinistov, R.; Mouraviev, S. V.; Nechaeva, P. Yu.; Shmeleva, A.; Snesarev, A. A.; Sulin, V. V.; Tikhomirov, V. O.] Acad Sci, PN Lebedev Phys Inst, Moscow, Russia. [Artamonov, A.; Gorbounov, P. A.; Khovanskiy, V.; Shatalov, P. B.; Tsukerman, I. I.] ITEP, Moscow, Russia. [Antonov, A.; Belotskiy, K.; Bulekov, O.; Dolgoshein, B. A.; Kantserov, V. A.; Khodinov, A.; Romaniouk, A.; Shulga, E.; Smirnov, S. Yu.; Smirnov, Y.; Soldatov, E. Yu.; Timoshenko, S.; Tsiareshka, P. V.] Moscow Engn & Phys Inst MEPhI, Moscow, Russia. [Gladilin, L. K.; Grishkevich, Y. V.; Kramarenko, V. A.; Rud, V. I.; Sivoklokov, S. Yu.; Smirnova, L. N.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Adomeit, S.; Beale, S.; Becker, S.; Biebel, O.; Bortfeldt, J.; Calfayan, P.; de Graat, J.; Duckeck, G.; Ebke, J.; Elmsheuser, J.; Engl, A.; Galea, C.; Heller, C.; Hertenberger, R.; Kummer, C.; Legger, F.; Lichtnecker, M.; Lorenz, J.; Mann, A.; Mueller, T. A.; Nunnemann, T.; Oakes, L. B.; Rauscher, F.; Reznicek, P.; Ruschke, A.; Sanders, M. P.; Schaile, D.; Schieck, J.; Serfon, C.; Staude, A.; Vladoiu, D.; Walker, R.; Will, J. Z.; Zhuang, X.; Zibell, A.] Univ Munich, Fak Phys, Munich, Germany. [Barillari, T.; Beimforde, M.; Bethke, S.; Bittner, B.; Bronner, J.; Capriotti, D.; Compostella, G.; Cortiana, G.; Dubbert, J.; Flowerdew, M. J.; Giovannini, P.; Ince, T.; Jantsch, A.; Kiryunin, A. E.; Kluth, S.; Kortner, O.; Kortner, S.; Kotov, S.; Kroha, H.; Macchiolo, A.; Manfredini, A.; Menke, S.; Moser, H. G.; Nagel, M.; Nisius, R.; Oberlack, H.; Pahl, C.; Pospelov, G. E.; Potrap, I. N.; Richter, R.; Salihagic, D.; Sandstroem, R.; Schacht, P.; Schwegler, Ph.; Stern, S.; Stonjek, S.; Vanadia, M.; von der Schmitt, H.; Weigell, P.; Wildauer, A.; Zanzi, D.; Zhuravlov, V.] Werner Heisenberg Inst, Max Planck Inst Phys, Munich, Germany. [Shimojima, M.] Nagasaki Inst Appl Sci, Nagasaki, 4648601, Japan. [Aoki, M.; Hasegawa, S.; Morvaj, L.; Ohshima, T.; Shimizu, S.; Takahashi, Y.; Ioi, M. Tomoto; Wakabayashi, J.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Aoki, M.; Hasegawa, S.; Morvaj, L.; Ohshima, T.; Shimizu, S.; Takahashi, Y.; Ioi, M. Tomoto; Wakabayashi, J.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi, Japan. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Capasso, L.; Carlino, G.; Chiefari, G.; Conventi, F.; de Asmundisa, R.; Della Pietra, M.; della Volpe, D.; Di Donato, C.; Doria, A.; Giordano, R.; Lengo, P.; Izzo, V.; Merola, L.; Patricelli, S.; Sanchez, A.; Sekhniaidze, G.] INFN Sez Napoli, Naples, Italy. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Capasso, L.; Chiefari, G.; della Volpe, D.; Di Donato, C.; Giordano, R.; Merola, L.; Patricelli, S.; Sanchez, A.] Univ Naples Federico II, Dipartimento Sci Fisiche, Naples, 87131, Italy. [Gorelov, I.; Hoeferkamp, M. R.; Seidel, S. C.; Toms, K.; Wang, R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM USA. [Besjes, G. J.; Caron, S.; Chelstowska, M. A.; De Groot, N.; Filthaut, F.; Klok, P. F.; Koetsveld, F.; Koenig, A. C.; Raas, M.; Salvucci, A.] Radboud Univ Nijmegen Nikhef, Inst Math Astrophys & Particle Phys, Nijmegen, Netherlands. [Aben, R.; Beemster, L. J.; Bentvelsen, S.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deluca, C.; Deviveiros, P. O.; Dhaliwal, S.; Doxiadis, A. D.; Ferrari, P.; Geerts, D. A. A.; Gosselink, M.; Hartjes, F.; Hessey, N. P.; Igonkina, O.; Kayl, M. S.; Klous, S.; Kluit, P.; Koffeman, E.; Lee, H.; Lenz, T.; Linde, E.; Luijckx, G.; Mahlstedt, J.; Massaro, G.; Mechnich, J.; Mussche, I.; Ottersbach, J. P.; Pani, P.; Rijpstra, M.; Ruckstuhl, N.; Ta, D.; Tsiakiris, M.; Turlay, E.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van der Leeuw, R.; van der Poel, E.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.] Nikhef Natl Inst Subat Phys, Amsterdam, Netherlands. [Aben, R.; Beemster, L. J.; Bentvelsen, S.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deluca, C.; Deviveiros, P. O.; Dhaliwal, S.; Doxiadis, A. D.; Ferrari, P.; Geerts, D. A. A.; Gosselink, M.; Hartjes, F.; Hessey, N. P.; Igonkina, O.; Kayl, M. S.; Klous, S.; Kluit, P.; Koffeman, E.; Lee, H.; Lenz, T.; Linde, E.; Luijckx, G.; Mahlstedt, J.; Massaro, G.; Mechnich, J.; Mussche, I.; Ottersbach, J. P.; Pani, P.; Rijpstra, M.; Ruckstuhl, N.; Ta, D.; Tsiakiris, M.; Turlay, E.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van der Leeuw, R.; van der Poel, E.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.] Univ Amsterdam, Amsterdam, 60115, Netherlands. [Calkins, R.; Chakraborty, D.; Cole, S.; de Lima, J. G. Rocha; Suhr, C.; Yurkewicz, A.; Zutshi, V.] No Illinois Univ, Dept Phys, De Kalb, IL USA. [Anisenkov, A.; Beloborodova, O.; Bobrovnikov, V. S.; Bogdanchikov, A.; Kazanin, V. F.; Kolachevi, G. M.; Korol, A.; Malyshev, V.; Maslennikov, A. L.; Maximov, D. A.; Orlov, I.; Peleganchuk, S. V.; Schamov, A. G.; Skovpen, K.; Soukharev, A.; Talyshev, A.; Tikhonov, Y. A.] SB RAS, Budker Inst Nucl Phys, Novosibirsk, 10003, Russia. [Budick, B.; Casadei, D.; Cranmer, K.; Haas, A.; van Huysduynen, L. Hooft; Kaplan, B.; Konoplich, R.; Krasznahorkay, A.; Kreiss, S.; Lewis, G. H.; Mincer, A. I.; Nemethy, P.; Neves, R. M.; Prokofiev, K.; Zhao, L.] NYU, Dept Phys, New York, NY 43210 USA. [Fisher, M. J.; Gan, K. K.; Ishmukhametov, R.; Kagan, H.; Mass, R. D.; Merritt, H.; Moss, J.; Nagarkar, A.; Pignotti, D. T.; Rahimi, A. M.; Strang, M.; Yang, Y.] Ohio State Univ, Columbus 700, OH USA. [Nakano, I.] Okayama Univ, Fac Sci, Okayama, 73019, Japan. [Abbott, B.; Gutierrez, P.; Jana, D. K.; Marzin, A.; Meera-Lebbai, R.; Norberg, S.; Saleem, M.; Severini, H.; Skubic, P.; Snow, J.; Strauss, M.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 74078 USA. [Abi, B.; Khanov, A.; Rizatdinova, F.; Yu, J.] Oklahoma State Univ, Dept Phys, CR-77147 Stillwater, OK USA. [Hamal, P.; Nozka, L.] Palacky Univ, RCPTM, Olomouc, 97403, Czech Republic. [Brau, J. E.; Potter, C. T.; Ptacek, E.; Radloff, P.; Reinsch, A.; Searcy, T. J.; Shamim, M.; Sinev, N. B.; Strom, D. M.; Torrence, E.] Univ Oregon, Ctr High Energy Phys, Eugene, OR USA. [Khalek, S. Abdel; Andari, N.; Auge, E.; Benoit, M.; Binet, S.; Bourdarios, C.; De La Taille, C.; De Regie, J. B. De Vivie; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Martinez, N. Lorenzo; Lounis, A.; Makovec, N.; Niedercorn, F.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Ruan, X.; Rybkin, G.; Sauvan, J. B.; Schaarschmidt, J.; Schaffer, A. C.; Serin, L.; Simion, S.; Tanaka, R.; Teinturier, M.; Veillet, J. J.; Zerwas, D.; Zhang, Z.] Univ Paris 11, LAL, Orsay, France. [Khalek, S. Abdel; Andari, N.; Auge, E.; Benoit, M.; Binet, S.; Bourdarios, C.; De La Taille, C.; De Regie, J. B. De Vivie; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Martinez, N. Lorenzo; Lounis, A.; Makovec, N.; Niedercorn, F.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Ruan, X.; Rybkin, G.; Sauvan, J. B.; Schaarschmidt, J.; Schaffer, A. C.; Serin, L.; Simion, S.; Tanaka, R.; Teinturier, M.; Veillet, J. J.; Zerwas, D.; Zhang, Z.] CNRS IN2P3, Orsay, France. [Hanagaki, K.; Hirose, M.; Lee, J. S. H.; Meguro, T.; Nomachi, M.; Okamura, W.; Sugaya, Y.] Osaka Univ, Grad Sch Sci, Osaka, Japan. [Bugge, L.; Buran, T.; Cameron, D.; Gjelsten, B. K.; Gramstad, E.; Lund, E.; Ould-Saada, E.; Pajchel, K.; Read, A. L.; Rohne, O.; Samset, B. H.; Smestad, L.; Stapnes, S.; Strandlie, A.] Univ Oslo, Dept Phys, Oslo, Norway. [Apolle, R.; Barr, A. J.; Boddy, C. R.; Brandt, G.; Buchanan, J.; Buckingham, R. M.; Cooper-Sarkar, A. M.; Dafinca, A.; Davies, E.; Gallas, E. J.; Gwenlan, C.; Hall, D.; Hays, C. P.; Howard, J.; Huffman, T. B.; Issever, C.; King, R. S. B.; Kogan, L. A.; Korn, A.; Larner, A.; Lewis, A.; Liang, Z.; Livermore, S. S. A.; Mattravers, C.; Nickerson, R. B.; Pinder, A.; Robichaud-Veronneau, A.; Ryder, N. C.; Short, D.; Tseng, J. C-L.; Vickey, T.; Viehhauser, G. H. A.; Weidberg, A. R.; Whitehead, S. R.; Young, C. J. S.; Zhong, J.] Univ Oxford, Dept Phys, Oxford, England. [Colombo, T.; Conta, C.; Ferrari, R.; Franchino, S.; Fraternali, M.; Gaudio, G.; Lanza, A.; Livan, M.; Negri, A.; Polesello, G.; Rebuzzi, D. M.; Rimoidi, A.; Uslenghi, M.; Vercesi, V.] INFN Sez Pavia, I-27100 Pavia, Italy. [Colombo, T.; Conta, C.; Franchino, S.; Fraternali, M.; Livan, M.; Negri, A.; Rebuzzi, D. M.; Rimoidi, A.; Uslenghi, M.] Univ Pavia, Dipartimento Fis, Pavia, 19104, Italy. [Alison, J.; Brendlinger, K.; Degenhardt, J.; Dressnandt, N.; Fratina, S.; Heim, S.; Hines, E.; Hong, T. M.; Jackson, B.; Keener, P. T.; Kroll, J.; Kunkle, J.; Lester, C. M.; Lipeles, E.; Newcomer, F. M.; Olivito, D.; Ospanov, R.; Reece, R.; Saxon, J.; Schaefer, D.; Stahlman, J.; Thomson, E.; Van Berg, R.; Williams, H. H.] Univ Penn, Dept Phys, Philadelphia, PA USA. [Fedin, O. L.; Gratchev, V.; Grebenyuk, O. G.; Maleev, V. P.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.; Solovyev, V.] Petersburg Nucl Phys Inst, Gatchina, Russia. [Bertolucci, F.; Cascella, M.; Cavasinni, V.; Del Prete, T.; Dotti, A.; Roda, C.; Sarri, F.; White, S.; Zinonos, Z.] INFN Sez Pisa, Pisa, Italy. [Bertolucci, F.; Cascella, M.; Cavasinni, V.; Del Prete, T.; Dotti, A.; Roda, C.; Sarri, F.; White, S.; Zinonos, Z.] Univ Pisa, Dipartimento Fis E Fermi, Pisa, 15260, Italy. [Boudreau, J.; Cleland, W.; Escobar, C.; Kittelmann, T.; Mueller, J.; Prieur, D.; Savinov, V.; Yoosoofmiya, R.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA USA. [Aguilar-Saavedra, J. A.; Amor Dos Santos, S. P.; Ambrim, A.; Anjos, N.; Carvalho, J. J.; Castro, N. F.; Muino, P. Conde; Da Cunha Sargedas De Sousa, M. J.; Do Valle Wemans, A.; Fiolhais, M. C. N.; Galhardo, B.; Gomes, A.; Jorge, P. M.; Lopes, L.; Machado Miguens, J.; Maio, A.; Maneira, J.; Oliveira, M.; Onofre, A.; Palma, A.; Pina, J.; Pinto, B.; Santos, H.; Saraiva, J. G.; Silva, J.; Veloso, F.; Wolters, H.] Lab Instrumentacao Fis Expt Particulas LIP, Lisbon, Portugal. [Aguilar-Saavedra, J. A.] Univ Granada, Dept Fis Teor & Cosmos, Granada, Spain. [Aguilar-Saavedra, J. A.] Univ Granada, CAFPE, Granada, Spain. [Bohm, J.; Chudoba, I.; Gallus, P.; Gunther, J.; Jakoubek, T.; Juranek, V.; Kepka, O.; Kupco, A.; Kus, V.; Lokajicek, M.; Marcisovsky, M.; Mikestikova, M.; Myska, M.; Nemecek, S.; Ruzicka, P.; Schovancova, J.; Sicho, P.; Staroba, P.; Svatos, M.; Tasevsky, M.; Tic, T.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Augsten, K.; Holy, T.; Jakubek, J.; Kohout, Z.; Kral, V.; Krejci, F.; Pospisil, S.; Simak, V.; Slavicek, T.; Smolek, K.; Sodomka, J.; Solar, M.; Solc, J.; Sopko, V.; Sopko, B.; Stekl, I.; Turecek, D.; Vacek, V.; Vlasak, M.; Vokac, R.; Zeman, M.] Czech Tech Univ, Prague, Czech Republic. [Balek, P.; Chalupkova, I.; Davidek, T.; Dolejsi, J.; Dolezal, Z.; Torregrosa, E. Fullana; Kodys, P.; Leitner, R.; Novakova, J.; Rybar, M.; Spousta, M.; Strachota, P.; Suk, M.; Sykora, T.; Tas, P.; Valkar, S.; Vorobel, V.; Wilhelm, I.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Ammosov, V. V.; Borisov, A.; Denisov, S. R.; Fakhrutdinov, R. M.; Fenyuk, A. B.; Golubkov, D.; Ivashin, A. V.; Karyukhin, A. N.; Korotkov, V. A.; Kozhin, A. S.; Minaenko, A. A.; Myagkov, A. G.; Nikolaenko, V.; Solodkov, A. A.; Solovyanov, O. V.; Starchenko, E. A.; Zaitsev, A. M.; Zenin, O.; Zmouchko, V. V.] Inst High Energy Phys, State Res Ctr, Protvino OX11 0QX, Russia. [Adye, T.; Apolle, R.; Baines, J. T.; Barnett, B. M.; Burke, S.; Davies, E.; Dewhurst, A.; Emeliyanov, D.; Gallop, B. J.; Gee, C. N. P.; Gillman, A. R.; Haywood, S. J.; Kirk, J. J.; Mattravers, C.; McCubbin, N. A.; McMahon, S. J.; Middleton, R. P.; Murray, W. J.; Nash, M.; Phillips, P. W.; Sankey, D. P. C.; Scott, W. G.; Tyndel, M.; Wickens, F. J.; Wielers, M.] Rutherford Appleton Lab, Particle Phys Dept, Didcot, Oxon S4S 0A2, England. [Benslama, K.] Univ Regina, Dept Phys, Regina, SK, Canada. [Tanaka, S.] Ritsumeikan Univ, Kusatsu, Shiga, Japan. [Anulli, F.; Artoni, G.; Bagnaia, P.; Bini, C.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Pedis, D.; De Salvo, A.; De Zorzi, G.; Dionisi, C.; Falciano, S.; Gauzzi, P.; Gentile, S.; Giagu, S.; Ippolito, V.; Lacava, F.; Lo Sterzo, F.; Luci, C.; Luminari, L.; Marzano, E.; Mirabelli, G.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Rossi, E.; Tehrani, F. Safai; Sidoti, A.; Camillocci, E. Solfaroli; Vari, R.; Veneziano, S.; Zanello, L.] INFN Sez Roma I, I-00185 Rome, Italy. [Artoni, G.; Bagnaia, P.; Bini, C.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Zorzi, G.; Dionisi, C.; Gauzzi, P.; Gentile, S.; Giagu, S.; Ippolito, V.; Lacava, F.; Lo Sterzo, F.; Luci, C.; Messina, A.; Rossi, E.; Camillocci, E. Solfaroli; Zanello, L.] Univ Roma La Sapienza, Dipartimento Fis, Rome, Italy. [Aielli, G.; Camarri, P.; Cardarelli, R.; Cattani, G.; Di Ciaccio, A.; Di Simone, A.; Liberti, B.; Marchese, F.; Mazzaferro, L.; Salamon, A.; Santonico, R.] INFN Sez Roma Tor Vergata, I-00173 Rome, Italy. [Aielli, G.; Camarri, P.; Cattani, G.; Di Ciaccio, A.; Di Simone, A.; Marchese, F.; Mazzaferro, L.; Santonico, R.] Univ Roma Tor Vergata, Dipartimento Fis, Rome, Italy. [Bacci, C.; Baroncelli, A.; Biglietti, M.; Bortolotto, V.; Branchini, P.; Ceradini, F.; Di Luise, S.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Passeri, A.; Pastore, F.; Petrucci, F.; Stanescu, C.] INFN Sez Roma Tre, Rome, Italy. [Bacci, C.; Bortolotto, V.; Ceradini, F.; Di Luise, S.; Orestano, D.; Pastore, F.; Petrucci, F.] Univ Roma Tre, Dipartimento Matemat & Fis, Rome, Italy. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummada, A.; Lablak, S.] Reseau Univ Phys Hautes Energies, Fac Sci Ain Chock, Casablanca, Morocco. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummada, A.; Lablak, S.] Univ Hassan 2, Casablanca, Morocco. [Ghazlane, H.] Ctr Natl Energie Sci Tech Nucl, Rabat, Morocco. [El Kacimi, M.; Goujdami, D.] Univ Cadi Ayyad, LPHEA, Fac Sci Semlalia, Marrakech, Morocco. [Detkaoui, J. E.; Ouchrif, M.; Tayalati, Y.] Univ Mohamed Premier, Fac Sci, Oujda, Morocco. [Detkaoui, J. E.; Ouchrif, M.; Tayalati, Y.] LPTPM, Oujda, Morocco. [Cherkaoui El Moursli, R.] Univ Mohammed V Agdal, Fac Sci, Rabat, Morocco. [Abreu, H.; Bachacou, H.; Bauer, F.; Besson, N.; Blanchard, J. -B.; Bolnet, N. M.; Boonekamp, M.; Chevalier, L.; Ernwein, J.; Etienvre, A. I.; Formica, A.; Gauthier, L.; Giraud, P. F.; Guyot, C.; Hassani, S.; Kozanecki, W.; Lancon, E.; Laporte, J. F.; Legendre, M.; Maiani, C.; Mal, P.; Ramos, J. A. Manjarres; Mansoulie, B.; Martinez, H.; Meyer, J-P.; Mijovic, L.; Morange, N.; Mountricha, E.; Hong, V. Nguyen Thi; Nicolaidou, R.; Ouraou, A.; Resende, B.; Royon, C. R.; Schoeffel, L.; Schune, Ph.; Schwindling, J.; Simard, O.; Virchaux, M.; Vranjes, N.; Xiao, M.; Xu, C.] CEA Saclay, Commissariat Energie Atom & Energies Alternat, DSM IRFU, Inst Rech Lois Fondament Univ, Gif Sur Yvette, 95064, France. [Chouridou, S.; Damiani, D. S.; Grillo, A. A.; Gross, E.; Litke, A. M.; Lockman, W. S.; Manning, P. M.; Mitrevski, J.; Nielsen, J.; Sadrozinski, H. F-W.; Schumm, B. A.; Seiden, A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 98195 USA. [Beckingham, M.; Coccaro, A.; Goussiou, A. G.; Harris, O. M.; Hsu, S. -C.; Keller, J. S.; Lubatti, H. J.; Rompotis, N.; Rothberg, J.; Verducci, M.; Watts, G.] Univ Washington, Dept Phys, Seattle, WA USA. [Costanzo, D.; Donszelmann, T. Cuhadar; Dawson, I.; Duxfield, R.; Hodgkinson, M. C.; Hodgson, P.; Johansson, P.; Korolkova, E. V.; Mayne, A.; Mcfayden, J. A.; Miyagawa, P. S.; Owen, S.; Paganis, E.; Suruliz, K.; Tovey, D. R.; Tsionou, D.; Tua, A.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Takeshita, T.] Shinshu Univ, Dept Phys, D-57068 Nagano, Japan. [Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Grybel, K.; Holder, M.; Ibragimov, I.; Rammes, M.; Rosenthal, O.; Sipica, V.; Walkowiak, W.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, Siegen, V5A 1S6, Germany. [Dawe, E.; Godfrey, J.; Kvita, J.; O'Nei, D. C.; Petteni, M.; Stelzer, B.; Tanasijczuk, A. J.; Trottier-McDonald, M.; van Nieuwkoop, J.; Vetterli, M. C.] Simon Fraser Univ, Dept Phys, Burnaby, BC, Canada. [Aracena, I.; Mayes, J. Backus; Barklow, T.; Bartoldus, R.; Bawa, H. S.; Butler, B.; Cogan, J. G.; Eifert, T.; Fulsom, B. G.; Gao, Y. S.; Grenier, P.; Hansson, P.; Kocian, M.; Koi, T.; Lowe, A. J.; Malone, C.; Mount, R.; Nelson, T. K.; Salnikov, A.; Schwartzman, A.; Silverstein, D.; Smith, D.; Strauss, E.; Su, D.; Wilson, M. G.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Batkova, L.; Blazek, T.; Federic, P.; Pecsy, M.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava 04353, Slovakia. [Antos, J.; Bruncko, D.; Ferencei, J.; Kladiva, E.; Seman, M.; Strizenec, P.] Slovak Acad Sci, Inst Expt Phys, Dept Subnuclear Phys, Kosice, Slovakia. [Assamagan, K.; Aurousseau, M.; Yacoob, S.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Carrillo-Montoya, C. D.; Hamilton, A.; Leney, K. J. C.; Vickey, T.; Boeriu, O. E. Vickey] Univ Witwatersrand, Sch Phys, S-10691 Johannesburg, South Africa. [Asman, B.; Bendtz, K.; Bohm, C.; Clement, C.; Eriksson, D.; Gellerstedt, K.; Hellman, S.; Holmgren, S. O.; Johansen, M.; Johansson, K. E.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, J.; Lundberg, O.; Milstead, D. A.; Moa, T.; Papadelis, A.; Sellden, B.; Silverstein, S. B.; Siolin, J.; Strandberg, S.; Tylmad, M.; Yang, Z.] Stockholm Univ, Dept Phys, Stockholm, Sweden. [Asman, B.; Bendtz, K.; Clement, C.; Gellerstedt, K.; Hellman, S.; Johansen, M.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, J.; Lundberg, O.; Milstead, D. A.; Moa, T.; Siolin, J.; Strandberg, S.; Tylmad, M.; Yang, Z.] Oskar Klein Ctr, S-10044 Stockholm, Sweden. [Jovicevic, J.; Kuwertz, E. S.; Lund-Jensen, B.; Strandberg, J.] Royal Inst Technol, Dept Phys, Stockholm, 11794, Sweden. [Ahmad, A.; Arfaoui, S.; Devetak, E.; DeWilde, B.; Engelmann, R.; Farley, J.; Goodson, J. J.; Grassi, V.; Gray, J. A.; Hobbs, J.; Jia, J.; Li, H.; Mastrandrea, P.; McCarthy, R. L.; Mohapatra, S.; Puldon, D.; Rijssenbeek, M.; Schamberger, R. D.; Stupak, J.; Tsybychev, D.] SUNY Stony Brook, Dept Phys &Astron & Chem, Stony Brook, NY USA. [Bartsch, V.; De Santo, A.; Martin-Haugh, S.; Potter, C. J.; Rose, A.; Salvatore, F.; Castillo, I. Santoyo; Sutton, M. R.] Univ Sussex, Dept Phys & Astron, Brighton, E Sussex 2006, England. [Bangert, A.; Black, C. W.; Cuthbert, C.; Jeng, G. -Y.; Patel, N. D.; Saavedra, A. F.; Scarcella, M.; Varvell, K. E.; Watson, I. J.; Waugh, A. T.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW, Australia. [Chu, M. L.; Hou, S.; Jamin, D. O.; Lee, S. C.; Lin, S. C.; Liu, D.; Mazini, R.; Meng, Z.; Ren, Z. L.; Soh, D. A.; Teng, P. K.; Wang, J.; Wang, S. M.; Weng, Z.; Zhou, Y.] Acad Sinica, Inst Phys, IL-32000 Taipei, Taiwan. [Harpaz, S. Behar; Di Mattia, A.; Kajomovitz, E.; Kopeliansky, R.; Musto, E.; Rozen, Y.; Tarem, S.; Vallecorsa, S.] Technion Israel Inst Technol, Dept Phys, IL-69978 Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Bella, G.; Benary, O.; Benhammou, Y.; Etzion, E.; Gershon, A.; Ginzburg, J.; Guttman, N.; Hod, N.; Munwes, Y.; Oren, Y.; Sadeh, I.; Silver, Y.; Soffer, A.; Taiblum, N.] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, GR-54006 Tel Aviv, Israel. [Bachas, K.; Iliadis, D.; Kordas, K.; Kouskoura, V.; Nomidis, I.; Petridis, A.; Petridou, C.; Sampsonidis, D.] Aristotle Univ Thessaloniki, Dept Phys, Thessaloniki, Greece. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, K.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yamazaki, T.; Yoshihara, K.] Univ Tokyo, Int Ctr Elementary Particle Phys, Tokyo 113, Japan. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, K.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yamazaki, T.; Yoshihara, K.] Univ Tokyo, Dept Phys, Tokyo 158, Japan. [Bratzler, U.; Fukunaga, C.] Tokyo Metropolitan Univ, Grad Sch Sci & Technol, Tokyo 152, Japan. [Ishitsuka, M.; Jinnouchi, O.; Kanno, T.; Kuze, M.; Nagai, R.; Nobe, T.] Tokyo Inst Technol, Dept Phys, Tokyo, Japan. [AbouZeid, S.; Bailey, D. C.; Brelier, B.; Cheung, S. L.; Farooque, T.; Fatholahzadeh, B.; Gibson, A.; Guo, B.; Ilic, N.; Keung, J.; Krieger, P.; Orr, R. S.; Rezvani, R.; Rosenbaum, G. A.; Savard, R.; Sinervo, P.; Spreitzer, T.; Tardif, D.; Teuscher, R. J.; Thompson, P. D.; Trischuk, W.; Venturi, N.] Univ Toronto, Dept Phys, Toronto, ON V6T 2A3, Canada. [Azuelos, G.; Canepa, A.; Chekulaev, S. V.; Fortin, D.; Gingrich, D. M.; Koutsman, A.; Losty, M. J.; Nugent, I. M.; Oakham, F. G.; Oram, C. J.; Codina, E. Perez; Savard, R.; Schouten, D.; Seuster, R.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.; Vetterli, M. C.] TRIUMF, Vancouver, BC M3J 2R7, Canada. [Garcia, J. A. Benitez; Bustos, A. C. Florez; Palacino, G.; Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON, Canada. [Hanawa, K.; Hara, K.; Hayashi, T.; Kim, S. H.; Kiuchi, K.; Kurata, M.; Nagai, K.; Ukegawa, F.] Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki 02155, Japan. [Beauchemin, P. H.; Hamilton, S.; Meoni, E.; Napier, A.; Rolli, S.; Sliwa, K.; Todorova-Nova, S.; Wetter, J.] Tufts Univ, Dept Phys & Astron, Medford, MA USA. [Losada, M.; Loureiro, K. F.; Mendoza Navas, L.; Navarro, G.; Sandoval, C.] Univ Antonio Narino, Ctr Invest, Bogota, Colombia. [Farrell, S.; Eschrich, I. Gough; Lankford, A. J.; Magnoni, L.; Mete, A. S.; Nelson, A.; Rao, K.; Scannicchio, D. A.; Schernau, M.; Taffard, A.; Toggerson, B.; Unel, G.; Werth, M.; Whiteson, D.; Zhou, N.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. [Acharya, B. S.; Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Pinamonti, M.; Shaw, K.; Soualah, R.] INFN Grp Collegato Udine, Udine, Italy. [Acharya, B. S.; Soualah, R.] ICTP Trieste, I-33100 Udine, Italy. [Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Giordani, M. P.; Pinamonti, M.; Shaw, K.] Univ Udine, Dipartimento Chim Fis & Ambiente, Udine, 61801, Italy. [Atkinson, M.; Basye, A.; Benekos, N.; Cavaliere, V.; Chang, P.; Coggeshall, J.; Cortes-Gonzalez, A.; Errede, D.; Errede, S.; Lie, K.; Liss, T. M.; McCarn, A.; Neubauer, M. S.; Vichou, I.] Univ Illinois, Dept Phys, Urbana, IL USA. [Brenner, R.; Buszello, C. P.; Coniavitis, E.; Ekelof, T.; Ellert, M.; Ferrari, A.; Isaksson, C.; Pelikan, D.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J. J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Milnano; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Solans, C. A.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferer, J. A.; Villaplana Perez, M.; Vos, M.] Univ Valencia, Inst Fis Corpuscular IFIC, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J. J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Milnano; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Solans, C. A.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferer, J. A.; Villaplana Perez, M.; Vos, M.] Univ Valencia, Dept Fis Atom Mol & Nucl, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J. J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Milnano; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Solans, C. A.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferer, J. A.; Villaplana Perez, M.; Vos, M.] Univ Valencia, Dept Ingn Elect, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J. J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Milnano; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Solans, C. A.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferer, J. A.; Villaplana Perez, M.; Vos, M.] Univ Valencia, Inst Microelect Barcelona IMB CNM, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J. J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Milnano; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Solans, C. A.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Valls Ferer, J. A.; Villaplana Perez, M.; Vos, M.] CSIC, Valencia, Spain. [Axen, D.; Gay, C.; Gecse, Z.; Loh, C. W.; Mills, W. J.; Swedish, S.; Viel, S.] Univ British Columbia, Dept Phys, Vancouver, BC, Canada. [Albert, J.; Astbury, A.; Bansal, V.; Berghaus, F.; Courneyea, L.; Fincke-Keeler, M.; Keeler, R.; Kowalewski, R.; Lefebvre', M.; Lessard, J-R.; Marino, C. P.; Martyniuk, A. C.; McPherson, R. A.; Ouellette, E. A.; Sobie, R.] Univ Victoria, Dept Phys & Astron, Victoria CV4 7AL, BC, Canada. [Farrington, S. M.; Jones, G.] Univ Warwick, Dept Phys, Coventry, W Midlands, England. [Kimura, N.; Yorita, K.] Waseda Univ, IL-76100 Tokyo, Japan. [Alon, R.; Barak, L.; Bressler, S.; Citron, Z. H.; Duchovni, E.; Frank, T.; Gabizon, O.; Klier, A.; Lellouch, D.; Levinson, L. J.; Mikenberg, G.; Milov, A.; Milstein, D.; Roth, I.; Silbert, O.; Smakhtin, V.; Vitells, O.] Weizmann Inst Sci, Dept Particle Phys, Rehovot, 53706, Israel. [Banerjee, Sw.; Hernandez, A. M. Castaneda; Castaneda-Miranda, E.; Chen, X.; Dos Anjos, A.; Castillo, L. R. Flores; Gutzwiller, O.; Jared, R. C.; Ji, H.; Ju, X.; Kashif, L.; Ma, L. L.; Garcia, B. R. Mellado; Ming, Y.; Pan, Y. B.; Morales, M. I. Pedraza; Quayle, W. B.; Sarangi, T.; Wang, H.; Wiedenmann, W.; Wu, S. L.; Zobernig, G.] Univ Wisconsin, Dept Phys, D-97070 Madison, WI USA. [Fleischmann, P.; Meyer, J.; Redelbach, A.; Siragusa, G.; Stroehmer, R.; Trefzger, T.] Univ Wurzburg, Fak Phys & Astron, Wurzburg, Germany. [Barisonzi, M.; Becker, K.; Becks, K. H.; Boek, J.; Boek, T. T.; Braun, H. M.; Cornelissen, T.; Duda, D.; Fleischmann, S.; Flick, T.; Gerlach, P.; Glitza, K. W.; Gorfine, G.; Hamacher, K.; Harenberg, T.; Hirschbuehl, D.; Kalinin, S.; Kersten, S.; Khoroshilov, A.; Kohlmann, S.; Lenzen, G.; Mattig, P.; Mechtel, M.; Neumann, M.; Pataraia, S.; Sandhoff, M.; Sartisohn, G.; Schultes, J.; Sturm, P.; Wagner, W.; Wahlen, H.; Wicke, D.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich C Phys, Wuppertal, Germany. [Adelman, J.; Baker, O. K.; Bedikian, S.; Almenar, C. Cuenca; Cummings, J.; Czyczula, Z.; Demers, S.; Erdmann, J.; Garberson, F.; Golling, T.; Guest, D.; Henrichs, A.; Lagouri, T.; Lee, L.; Leister, A. G.; Loginov, A.; Sherman, D.; Tipton, P.; Wall, R.; Walsh, B.] Yale Univ, Dept Phys, New Haven 375036, CT USA. [Hakobyan, H.] Yerevan Phys Inst, Yerevan, Armenia. [Biscarat, C.; Rahal, G.] Inst Natl Phys Nucl & Phys Particules IN2P3, Ctr Calcul, Villeurbanne WC2R 2LS, France. [Acharya, B. S.] Kings Coll London, Dept Phys, London, England. [Ambrim, A.; Gomes, A.; Maio, A.; Pina, J.] Univ Lisbon, Fac Ciencias, P-1699 Lisbon, Portugal. [Ambrim, A.; Gomes, A.; Maio, A.; Pina, J.] Univ Lisbon, CFNUL, Lisbon, 93740, Portugal. [Bawa, H. S.; Gao, Y. S.; Lowe, A. J.] Calif State Univ Fresno, Dept Phys, Fresno 630090, CA USA. [Beloborodova, O.; Maximov, D. A.; Talyshev, A.; Tikhonov, Y. A.] Novosibirsk State Univ, Novosibirsk, Russia. [Carvalho, J. J.; Fiolhais, M. C. N.; Oliveira, M.; Wolters, H.] Univ Coimbra, Dept Phys, Coimbra, Portugal. [Hernandez, A. M. Castaneda] UASLP, Dept Phys, San Luis Potosi, Mexico. [Conventi, F.; Della Pietra, M.] Univ Napoli Parthenope, Naples, Italy. [Corriveau, F.; McPherson, R. A.; Robertson, S. H.; Sobie, R.; Teuscher, R. J.] Inst Particle Phys, TR-06531 Toronto, ON, Canada. [Demirkoz, B.] Middle E Tech Univ, Dept Phys, Ankara, 71270, Turkey. [Dhullipudi, R.; Greenwood, Z. D.; Sawyer, L.] Louisiana Tech Univ, Ruston, LA USA. [Do Valle Wemans, A.] Univ Nova Lisboa, Dept Fis, Caparica, Portugal. [Do Valle Wemans, A.] Univ Nova Lisboa, CEFITEC Fac Ciencias & Tecnol, ZA-7925 Caparica, Portugal. [Hamilton, A.] Univ Cape Town, Dept Phys, Cape Town, South Africa. [Kono, T.; Wildt, M. A.] Univ Hamburg, Inst Expt Phys, Hamburg, Germany. [Konoplich, R.] Manhattan Coll, New York 510275, NY USA. [Liang, Z.; Soh, D. A.; Weng, Z.] Sun Yat Sen Univ, Sch Phys & Engn, Guangzhou, Guangdong, Peoples R China. [Lin, S. C.] Acad Sinica, Inst Phys, Acad Sinica Grid Comp, Taipei, Taiwan. Shandong Univ, Sch Phys, Shandong, Peoples R China. [Onofre, A.] Univ Minho, Dept Fis, Braga, 78712, Portugal. [Onyisi, P. U. E.] Univ Texas Austin, Dept Phys, Austin, TX 29208 USA. [Park, W.; Purohit, M.] Univ S Carolina, Dept Phys & Astron, Columbia, SC USA. [Pasztor, G.; Toth, J.] Wigner Res Ctr Phys, Inst Particle & Nucl Phys, Budapest, 91125, Hungary. [Perez, K.] CALTECH, Pasadena, CA USA. [Pinamonti, M.] Int Sch Adv Studies SISSA, Trieste, Italy. [Smirnova, L. N.] Moscow MV Lomonosov State Univ, Fac Phys, Moscow, Russia. [Yacoob, S.] Univ KwaZulu Natal, Discipline Phys, Durban, South Africa. RI Gerbaudo, Davide/J-4536-2012; Solodkov, Alexander/B-8623-2017; Zaitsev, Alexandre/B-8989-2017; Monzani, Simone/D-6328-2017; Vranjes Milosavljevic, Marija/F-9847-2016; SULIN, VLADIMIR/N-2793-2015; Nechaeva, Polina/N-1148-2015; Olshevskiy, Alexander/I-1580-2016; BESSON, NATHALIE/L-6250-2015; Vanadia, Marco/K-5870-2016; Ippolito, Valerio/L-1435-2016; Mora Herrera, Maria Clemencia/L-3893-2016; Maneira, Jose/D-8486-2011; KHODINOV, ALEKSANDR/D-6269-2015; Gauzzi, Paolo/D-2615-2009; O'Shea, Val/G-1279-2010; Kupco, Alexander/G-9713-2014; de Groot, Nicolo/A-2675-2009; Marcisovsky, Michal/H-1533-2014; Mikestikova, Marcela/H-1996-2014; Kuday, Sinan/C-8528-2014; Tomasek, Lukas/G-6370-2014; Svatos, Michal/G-8437-2014; Moorhead, Gareth/B-6634-2009; Peleganchuk, Sergey/J-6722-2014; Santamarina Rios, Cibran/K-4686-2014; Bosman, Martine/J-9917-2014; Castro, Nuno/D-5260-2011; Sukharev, Andrey/A-6470-2014; Lee, Jason/B-9701-2014; Robson, Aidan/G-1087-2011; Smirnova, Oxana/A-4401-2013; Fabbri, Laura/H-3442-2012; Villa, Mauro/C-9883-2009; Nozka, Libor/G-5550-2014; Kepka, Oldrich/G-6375-2014; Nemecek, Stanislav/G-5931-2014; Lokajicek, Milos/G-7800-2014; Jakoubek, Tomas/G-8644-2014; Staroba, Pavel/G-8850-2014; Dawson, Ian/K-6090-2013; Solfaroli Camillocci, Elena/J-1596-2012; Ferrando, James/A-9192-2012; Brooks, William/C-8636-2013; Barreiro, Fernando/D-9808-2012; Tudorache, Alexandra/L-3557-2013; Tudorache, Valentina/D-2743-2012; Marti-Garcia, Salvador/F-3085-2011; Shabalina, Elizaveta/M-2227-2013; Wolters, Helmut/M-4154-2013; De, Kaushik/N-1953-2013; Snesarev, Andrey/H-5090-2013; Warburton, Andreas/N-8028-2013; Gorelov, Igor/J-9010-2015; Gladilin, Leonid/B-5226-2011; Carvalho, Joao/M-4060-2013; Mashinistov, Ruslan/M-8356-2015; Gonzalez de la Hoz, Santiago/E-2494-2016; Guo, Jun/O-5202-2015; Aguilar Saavedra, Juan Antonio/F-1256-2016; Wemans, Andre/A-6738-2012; Leyton, Michael/G-2214-2016; Jones, Roger/H-5578-2011; Pacheco Pages, Andres/C-5353-2011; Cavalli-Sforza, Matteo/H-7102-2015; Petrucci, Fabrizio/G-8348-2012; Negrini, Matteo/C-8906-2014; Prokoshin, Fedor/E-2795-2012; Hansen, John/B-9058-2015; Grancagnolo, Sergio/J-3957-2015; spagnolo, stefania/A-6359-2012; Shmeleva, Alevtina/M-6199-2015; Camarri, Paolo/M-7979-2015; Gavrilenko, Igor/M-8260-2015; Tikhomirov, Vladimir/M-6194-2015; Yang, Haijun/O-1055-2015; Chekulaev, Sergey/O-1145-2015; Demirkoz, Bilge/C-8179-2014; Gutierrez, Phillip/C-1161-2011; Ventura, Andrea/A-9544-2015; Livan, Michele/D-7531-2012; Mitsou, Vasiliki/D-1967-2009; Joergensen, Morten/E-6847-2015; Riu, Imma/L-7385-2014; Cabrera Urban, Susana/H-1376-2015; Ferrer, Antonio/H-2942-2015; Mir, Lluisa-Maria/G-7212-2015; Garcia, Jose /H-6339-2015; Della Pietra, Massimo/J-5008-2012; Anjos, Nuno/I-3918-2013; Kartvelishvili, Vakhtang/K-2312-2013; Vanyashin, Aleksandr/H-7796-2013; Doyle, Anthony/C-5889-2009; Casadei, Diego/I-1785-2013; La Rosa, Alessandro/I-1856-2013; Moraes, Arthur/F-6478-2010; Smirnov, Sergei/F-1014-2011; Conde Muino, Patricia/F-7696-2011; Andreazza, Attilio/E-5642-2011; Boyko, Igor/J-3659-2013; Kuleshov, Sergey/D-9940-2013 OI Gerbaudo, Davide/0000-0002-4463-0878; Solodkov, Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368; Monzani, Simone/0000-0002-0479-2207; Vranjes Milosavljevic, Marija/0000-0003-4477-9733; SULIN, VLADIMIR/0000-0003-3943-2495; Olshevskiy, Alexander/0000-0002-8902-1793; Vanadia, Marco/0000-0003-2684-276X; Ippolito, Valerio/0000-0001-5126-1620; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Maneira, Jose/0000-0002-3222-2738; KHODINOV, ALEKSANDR/0000-0003-3551-5808; Gauzzi, Paolo/0000-0003-4841-5822; O'Shea, Val/0000-0001-7183-1205; Mikestikova, Marcela/0000-0003-1277-2596; Kuday, Sinan/0000-0002-0116-5494; Tomasek, Lukas/0000-0002-5224-1936; Svatos, Michal/0000-0002-7199-3383; Moorhead, Gareth/0000-0002-9299-9549; Peleganchuk, Sergey/0000-0003-0907-7592; Santamarina Rios, Cibran/0000-0002-9810-1816; Bosman, Martine/0000-0002-7290-643X; Castro, Nuno/0000-0001-8491-4376; Lee, Jason/0000-0002-2153-1519; Smirnova, Oxana/0000-0003-2517-531X; Fabbri, Laura/0000-0002-4002-8353; Villa, Mauro/0000-0002-9181-8048; Solfaroli Camillocci, Elena/0000-0002-5347-7764; Ferrando, James/0000-0002-1007-7816; Brooks, William/0000-0001-6161-3570; Barreiro, Fernando/0000-0002-3021-0258; Wolters, Helmut/0000-0002-9588-1773; De, Kaushik/0000-0002-5647-4489; Warburton, Andreas/0000-0002-2298-7315; Gorelov, Igor/0000-0001-5570-0133; Gladilin, Leonid/0000-0001-9422-8636; Carvalho, Joao/0000-0002-3015-7821; Mashinistov, Ruslan/0000-0001-7925-4676; Gonzalez de la Hoz, Santiago/0000-0001-5304-5390; Guo, Jun/0000-0001-8125-9433; Aguilar Saavedra, Juan Antonio/0000-0002-5475-8920; Wemans, Andre/0000-0002-9669-9500; Leyton, Michael/0000-0002-0727-8107; Jones, Roger/0000-0002-6427-3513; Pacheco Pages, Andres/0000-0001-8210-1734; Petrucci, Fabrizio/0000-0002-5278-2206; Negrini, Matteo/0000-0003-0101-6963; Prokoshin, Fedor/0000-0001-6389-5399; Hansen, John/0000-0002-8422-5543; Grancagnolo, Sergio/0000-0001-8490-8304; spagnolo, stefania/0000-0001-7482-6348; Camarri, Paolo/0000-0002-5732-5645; Tikhomirov, Vladimir/0000-0002-9634-0581; Ventura, Andrea/0000-0002-3368-3413; Livan, Michele/0000-0002-5877-0062; Mitsou, Vasiliki/0000-0002-1533-8886; Joergensen, Morten/0000-0002-6790-9361; Riu, Imma/0000-0002-3742-4582; Ferrer, Antonio/0000-0003-0532-711X; Mir, Lluisa-Maria/0000-0002-4276-715X; Della Pietra, Massimo/0000-0003-4446-3368; Vanyashin, Aleksandr/0000-0002-0367-5666; Doyle, Anthony/0000-0001-6322-6195; La Rosa, Alessandro/0000-0001-6291-2142; Moraes, Arthur/0000-0002-5157-5686; Smirnov, Sergei/0000-0002-6778-073X; Conde Muino, Patricia/0000-0002-9187-7478; Andreazza, Attilio/0000-0001-5161-5759; Boyko, Igor/0000-0002-3355-4662; Kuleshov, Sergey/0000-0002-3065-326X FU ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF, Austria; FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq, Brazil; FAPESP, Brazil; NSERC, Canada; NRC, Canada; CFI, Canada; CERN; CONICYT, Chile; CAS, China; MOST, China; NSFC, China; COLCIENCIAS, Colombia; MSMT CR, Czech Republic; MPO CR, Czech Republic; VSC CR, Czech Republic; DNRF, Denmark; DNSRC, Denmark; Lundbeck Foundation, Denmark; EPLANET, European Union; ERC, European Union; NSRF, European Union; IN2P3-CNRS, France; CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, Germany; DFG, Germany; HGF, Germany; MPG, Germany; AvH Foundation, Germany; GSRT, Greece; NSRF, Greece; ISF, Israel; MINERVA, Israel; GIF, Israel; DIP, Israel; Benoziyo Center, Israel; INFN, Italy; MEXT, Japan; JSPS, Japan; CNRST, Morocco; FOM, Netherlands; NWO, Netherlands; BRF, Norway; RCN, Norway; MNiSW, Poland; GRICES, Portugal; FCT, Portugal; MERYS (MECTS), Romania; MES of Russia, Russian Federation; ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS, Slovenia; MVZT, Slovenia; DST/NRF, South Africa; MICINN, Spain; SRC, Sweden; Wallenberg Foundation, Sweden; SER, Switzerland; SNSF, Switzerland; Canton of Bern, Switzerland; Canton of Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, United Kingdom; Royal Society, United Kingdom; Leverhulme Trust, United Kingdom; DOE, United States of America; NSF, United States of America FX We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF and FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; EPLANET, ERC and NSRF, European Union; IN2P3-CNRS, CEA-DSM/IRFU, France; GNSF, Georgia; BMBF, DFG, HGF, MPG and AvH Foundation, Germany; GSRT and NSRF, Greece; ISF, MINERVA, GIF, DIP and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; BRF and RCN, Norway; MNiSW, Poland; GRICES and FCT, Portugal; MERYS (MECTS), Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MVZT, Slovenia; DST/NRF, South Africa; MICINN, Spain; SRC and Wallenberg Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America. NR 33 TC 24 Z9 24 U1 9 U2 148 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 24 PY 2013 VL 722 IS 4-5 BP 305 EP 323 DI 10.1016/j.physletb.2013.04.036 PG 19 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 153YF UT WOS:000319638000008 ER PT J AU Qin, SX Chang, L Liu, YX Roberts, CD Schmidt, SM AF Qin, Si-xue Chang, Lei Liu, Yu-xin Roberts, Craig D. Schmidt, Sebastian M. TI Practical corollaries of transverse Ward-Green-Takahashi identities SO PHYSICS LETTERS B LA English DT Article DE Quantum electrodynamics; Dynamical chiral symmetry breaking; Dyson-Schwinger equations; Fermion-gauge-boson vertex ID FERMION-BOSON VERTEX; ONE-LOOP ORDER; SCHWINGER-DYSON; GAUGE-THEORIES; INSTANTONS; EQUATIONS; THEOREM; MOMENT AB The gauge principle is fundamental in formulating the Standard Model. Fermion-gauge-boson couplings are the inescapable consequence and the primary determining factor for observable phenomena. Vertices describing such couplings are simple in perturbation theory and yet the existence of strong-interaction bound-states guarantees that many phenomena within the Model are nonperturbative. It is therefore crucial to understand how dynamics dresses the vertices and thereby fundamentally alters the appearance of fermion-gauge-boson interactions. We consider the coupling of a dressed-fermion to an Abelian gauge boson, and describe a unified treatment and solution of the familiar longitudinal Ward-Green-Takahashi identity and its less well known transverse counterparts. Novel consequences for the dressed-fermion-gauge-boson vertex are exposed. (C) 2013 Elsevier B.V. All rights reserved. C1 [Qin, Si-xue; Liu, Yu-xin] Peking Univ, Dept Phys, Ctr High Energy Phys, Beijing 100871, Peoples R China. [Qin, Si-xue; Liu, Yu-xin] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Qin, Si-xue] Goethe Univ Frankfurt, Inst Theoret, D-60438 Frankfurt, Germany. [Chang, Lei] Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany. [Roberts, Craig D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Roberts, Craig D.] IIT, Dept Phys, Chicago, IL 60616 USA. [Schmidt, Sebastian M.] Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany. RP Liu, YX (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM yxliu@pku.edu.cn; cdroberts@anl.gov RI Qin, Sixue/A-6249-2015; Qin, Si-xue/N-5285-2015 OI Qin, Si-xue/0000-0002-6754-6046 FU Alexander von Humboldt Foundation; Forschungszentrum Jillich GmbH; National Natural Science Foundation of China [10935001, 11075052, 11175004]; National Key Basic Research Program of China [2013CB834400]; US Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357] FX We thank A. Bashir, C. Chen, L.-j. Jiang, M. Pitschmann, J. Segovia and X.-y. Xin for valuable comments; and S.-x. Qin is grateful for encouragement from D.H. Rischke. Work supported by: Alexander von Humboldt Foundation Postdoctoral Research Fellowship; Forschungszentrum Jillich GmbH; National Natural Science Foundation of China, contract Nos. 10935001, 11075052 and 11175004; National Key Basic Research Program of China, contract No. 2013CB834400; and US Department of Energy, Office of Nuclear Physics, contract No. DE-AC02-06CH11357. NR 49 TC 35 Z9 35 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD MAY 24 PY 2013 VL 722 IS 4-5 BP 384 EP 388 DI 10.1016/j.physletb.2013.04.034 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 153YF UT WOS:000319638000019 ER PT J AU McAndrew, RP Park, JI Heins, RA Reindl, W Friedland, GD D'haeseleer, P Northen, T Sale, KL Simmons, BA Adams, PD AF McAndrew, Ryan P. Park, Joshua I. Heins, Richard A. Reindl, Wolfgang Friedland, Gregory D. D'haeseleer, Patrik Northen, Trent Sale, Kenneth L. Simmons, Blake A. Adams, Paul D. TI From Soil to Structure, a Novel Dimeric beta-Glucosidase Belonging to Glycoside Hydrolase Family 3 Isolated from Compost Using Metagenomic Analysis SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID MASS-SPECTROMETRY; SWITCHGRASS; REVEALS AB A recent metagenomic analysis sequenced a switchgrass-adapted compost community to identify enzymes from microorganisms that were specifically adapted to switchgrass under thermophilic conditions. These enzymes are being examined as part of the pretreatment process for the production of "second-generation" biofuels. Among the enzymes discovered was JMB19063, a novel three-domain beta-glucosidase that belongs to the GH3 (glycoside hydrolase 3) family. Here, we report the structure of JMB19063 in complex with glucose and the catalytic variant D261N crystallized in the presence of cellopentaose. JMB19063 is first structure of a dimeric member of the GH3 family, and we demonstrate that dimerization is required for catalytic activity. Arg-587 and Phe-598 from the C-terminal domain of the opposing monomer are shown to interact with bound ligands in the D261N structure. Enzyme assays confirmed that these residues are absolutely essential for full catalytic activity. C1 [McAndrew, Ryan P.; Park, Joshua I.; Heins, Richard A.; Reindl, Wolfgang; Friedland, Gregory D.; D'haeseleer, Patrik; Northen, Trent; Sale, Kenneth L.; Simmons, Blake A.; Adams, Paul D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [McAndrew, Ryan P.; Reindl, Wolfgang; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Reindl, Wolfgang; D'haeseleer, Patrik; Northen, Trent] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bioenergy GTL, Berkeley, CA 94720 USA. [Reindl, Wolfgang; D'haeseleer, Patrik; Northen, Trent] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Biol Struct, Berkeley, CA 94720 USA. [Park, Joshua I.; Heins, Richard A.; Friedland, Gregory D.; Sale, Kenneth L.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. [Simmons, Blake A.] Sandia Natl Labs, Energy Syst Dept, Livermore, CA USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Adams, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM pdadams@lbl.gov RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 NR 33 TC 16 Z9 18 U1 0 U2 26 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD MAY 24 PY 2013 VL 288 IS 21 BP 14985 EP 14992 DI 10.1074/jbc.M113.458356 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 151HU UT WOS:000319452100028 PM 23580647 ER PT J AU Lee, J Stone, MB Huq, A Yildirim, T Ehlers, G Mizuguchi, Y Miura, O Takano, Y Deguchi, K Demura, S Lee, SH AF Lee, J. Stone, M. B. Huq, A. Yildirim, T. Ehlers, G. Mizuguchi, Y. Miura, O. Takano, Y. Deguchi, K. Demura, S. Lee, S. -H. TI Crystal structure, lattice vibrations, and superconductivity of LaO1-xFxBiS2 SO PHYSICAL REVIEW B LA English DT Article AB Neutron scattering measurements have been performed on polycrystalline samples of the newly discovered layered superconductor LaO0.5F0.5BiS2 and its nonsuperconducting parent compound LaOBiS2. The crystal structures and vibrational modes have been examined. Bragg peaks from the superconducting sample exhibit pronounced broadening compared to those from the nonsuperconducting sample. In the inelastic measurements, a large difference in the high-energy phonon modes was observed upon F doping. Alternatively, the low-energy modes remain almost unchanged between nonsuperconducting and superconducting states either by F doping or by cooling through the transition temperature. Using density functional perturbation theory we identify the phonon modes and estimate the phonon density of states. We compare these calculations to the current measurements and other theoretical studies of this new superconducting material. C1 [Lee, J.; Lee, S. -H.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Stone, M. B.; Ehlers, G.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Huq, A.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Yildirim, T.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Mizuguchi, Y.; Miura, O.] Tokyo Metropolitan Univ, Dept Elect & Elect Engn, Hachioji, Tokyo 1920397, Japan. [Mizuguchi, Y.; Takano, Y.; Deguchi, K.; Demura, S.] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan. RP Lee, J (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. RI Stone, Matthew/G-3275-2011; Instrument, CNCS/B-4599-2012; yildirim, taner/A-1290-2009; Huq, Ashfia/J-8772-2013; Ehlers, Georg/B-5412-2008; Lee, Jooseop/A-5631-2016; BL18, ARCS/A-3000-2012 OI Stone, Matthew/0000-0001-7884-9715; Takano, Yoshihiko/0000-0002-1541-6928; Huq, Ashfia/0000-0002-8445-9649; Ehlers, Georg/0000-0003-3513-508X; Lee, Jooseop/0000-0002-4413-5412; FU Division of Materials Sciences and Engineering, Basic Energy Sciences (BES), US Department of Energy (DOE) [DE-FG02-10ER46384]; Scientific User Facilities Division FX These research activities at the University of Virginia and the Oak Ridge National Laboratory Spallation Neutron Source were sponsored by the Division of Materials Sciences and Engineering, Basic Energy Sciences (BES), US Department of Energy (DOE) under Award No. DE-FG02-10ER46384, and by the Scientific User Facilities Division, respectively. NR 31 TC 40 Z9 40 U1 0 U2 54 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 MAY 24 PY 2013 VL 87 IS 20 AR 205134 DI 10.1103/PhysRevB.87.205134 PG 8 WC Physics, Condensed Matter SC Physics GA 150LL UT WOS:000319391800003 ER PT J AU Pierce, MS Davies, JE Turner, JJ Chesnel, K Fullerton, EE Nam, J Hailstone, R Kevan, SD Kortright, JB Liu, K Sorensen, LB York, BR Hellwig, O AF Pierce, M. S. Davies, J. E. Turner, J. J. Chesnel, K. Fullerton, E. E. Nam, J. Hailstone, R. Kevan, S. D. Kortright, J. B. Liu, Kai Sorensen, L. B. York, B. R. Hellwig, O. TI Influence of structural disorder on magnetic domain formation in perpendicular anisotropy thin films SO PHYSICAL REVIEW B LA English DT Article ID X-RAY-SCATTERING; RECORDING MEDIA; STRIPE DOMAINS; SPUTTERED MULTILAYERS; HYSTERESIS; PATTERNS; EVOLUTION; SURFACES; REVERSAL; CO/PT AB Using a combination of resonant soft x-ray scattering, magnetometry, x-ray reflectivity, and microscopy techniques we have investigated the magnetic properties and microstructure of a series of perpendicular anisotropy Co/Pt multilayer films with respect to structural disorder tuned by varying the sputtering deposition pressure. The observed magnetic changes in domain size, shape, and correlation length originate from structural and chemical variations in the samples, such as chemical segregation and grain formation as well as roughness at the surface and interfaces, which are all impacted by the deposition pressure. All samples exhibited short-range "liquid-like" positional ordering over significant portions of their major hysteresis loops, while only the lowest disorder samples showed evidence of a random "gas-like" distribution of magnetic domains, present just after nucleation as well as prior to saturation. The structural and chemical disorder induced by the higher deposition pressure first leads to an increase in the number of magnetic point defects that limit free domain wall propagation. Then, as the sputtering pressure is further increased, the domain wall energy density is lowered due to the formation of local regions with reduced magnetic moment, and finally magnetically void regions appear that confine the magnetic domains and clusters, similar to segregated granular magnetic recording media. C1 [Pierce, M. S.; Nam, J.] Rochester Inst Technol, Sch Phys & Astron, Rochester, NY 14623 USA. [Pierce, M. S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Pierce, M. S.; Sorensen, L. B.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Davies, J. E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Davies, J. E.] NVE Corp, Adv Technol Grp, Eden Prairie, MN 55344 USA. [Turner, J. J.; Kevan, S. D.] Univ Oregon, Dept Phys, Eugene, OR 97403 USA. [Turner, J. J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Chesnel, K.] Brigham Young Univ, Dept Phys, Provo, UT 84602 USA. [Fullerton, E. E.] Univ Calif San Diego, Dept Elect & Computat Engn, La Jolla, CA 92093 USA. [Fullerton, E. E.] Univ Calif San Diego, Ctr Magnet Recording Res, La Jolla, CA 92093 USA. [Hailstone, R.] Rochester Inst Technol, Ctr Imaging Sci, Rochester, NY 14623 USA. [Kortright, J. B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [York, B. R.] HGST, Mat Lab, San Jose, CA 95119 USA. [Hellwig, O.] HGST, San Jose Res Ctr, San Jose, CA 95135 USA. RP Pierce, MS (reprint author), Rochester Inst Technol, Sch Phys & Astron, Rochester, NY 14623 USA. RI Liu, Kai/B-1163-2008; Fullerton, Eric/H-8445-2013; Pierce, Michael/D-5570-2014; Kevan, Stephen/F-6415-2010; Davies, Joseph/C-4384-2008 OI Liu, Kai/0000-0001-9413-6782; Fullerton, Eric/0000-0002-4725-9509; Pierce, Michael/0000-0002-9209-8556; Kevan, Stephen/0000-0002-4621-9142; Davies, Joseph/0000-0001-5727-2371 FU US Department of Energy, Office of Basic Energy Sciences, Materials Science Division [DEFG02- 11ER46831, DE-AC03-76SF00098, DE-AC0205CH11231]; UCSD [DE-SC0003678]; NSF [DMR-1008791]; Deutsche Forschungsgemeinschaft [HE 3286/1-1] FX We are indebted to numerous people for useful discussions. We have benefited from numerous helpful discussions with C. Buechler, J.M. Deutsch, E. A. Jagla, T. Mai, O.Narayan, and H. You, among many others. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Materials Science Division, with particular Grants DEFG02- 11ER46831, DE-AC03-76SF00098, and DE-AC0205CH11231 and the research at UCSD by DE-SC0003678. Work at UCD was supported by NSF DMR-1008791. O.H. received support from the Deutsche Forschungsgemeinschaft via HE 3286/1-1. NR 61 TC 18 Z9 18 U1 2 U2 69 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 MAY 24 PY 2013 VL 87 IS 18 AR 184428 DI 10.1103/PhysRevB.87.184428 PG 17 WC Physics, Condensed Matter SC Physics GA 150KZ UT WOS:000319390600004 ER PT J AU Ford, WP Jeschonnek, S Van Orden, JW AF Ford, William P. Jeschonnek, Sabine Van Orden, J. W. TI H-2(e, e ' p) observables using a Regge model parametrization of final-state interactions SO PHYSICAL REVIEW C LA English DT Article ID POLARIZATION; SCATTERING AB In previous papers we have presented a calculation describing electrodisintegration of the deuteron at GeV energies. The model is fully relativistic and incorporates full spin dependence of the final-state interactions (FSI), which were obtained from the SAID analysis. It was, however, limited kinematically due to lack of availability of the SAID amplitudes. This work rectifies this problem by implementing a Regge model to describe the FSI. We present an outline of the model and show comparisons between the two approaches in a region of overlap. We see good agreement between the models, and note observables which can provide additional insight due to model sensitivity. C1 [Ford, William P.; Van Orden, J. W.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Jeschonnek, Sabine] Ohio State Univ, Dept Phys, Lima, OH 45804 USA. [Van Orden, J. W.] Jefferson Lab, Newport News, VA 23606 USA. RP Ford, WP (reprint author), Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. EM wpford@jlab.org; jeschonnek.1@osu.edu; vanorden@jlab.org OI Jeschonnek, Sabine/0000-0002-8603-7589 FU US Department of Energy (DOE) [DE-AC05-84ER40150]; National Science Foundation [PHY-1002478]; Jefferson Science Associates, LLC under US DOE [DE-AC05-06OR23177] FX This work was supported in part by funds provided by the US Department of Energy (DOE) under cooperative research agreement No. DE-AC05-84ER40150 and by the National Science Foundation under Grant No. PHY-1002478. This work was authored in part by Jefferson Science Associates, LLC under US DOE Contract No. DE-AC05-06OR23177. NR 17 TC 4 Z9 4 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 24 PY 2013 VL 87 IS 5 AR 054006 DI 10.1103/PhysRevC.87.054006 PG 12 WC Physics, Nuclear SC Physics GA 150LQ UT WOS:000319392400001 ER PT J AU Yoo, J Yamada, M Ji, HT Myers, CE AF Yoo, Jongsoo Yamada, Masaaki Ji, Hantao Myers, Clayton E. TI Observation of Ion Acceleration and Heating during Collisionless Magnetic Reconnection in a Laboratory Plasma SO PHYSICAL REVIEW LETTERS LA English DT Article ID DYNAMICS; FIELD AB The ion dynamics in a collisionless magnetic reconnection layer are studied in a laboratory plasma. The measured in-plane plasma potential profile, which is established by electrons accelerated around the electron diffusion region, shows a saddle-shaped structure that is wider and deeper towards the outflow direction. This potential structure ballistically accelerates ions near the separatrices toward the outflow direction. Ions are heated as they travel into the high-pressure downstream region. C1 [Yoo, Jongsoo; Yamada, Masaaki; Ji, Hantao; Myers, Clayton E.] Princeton Plasma Phys Lab, Ctr Magnet Self Org Lab & Astrophys Plasmas, Princeton, NJ 08543 USA. RP Yoo, J (reprint author), Princeton Plasma Phys Lab, Ctr Magnet Self Org Lab & Astrophys Plasmas, POB 451, Princeton, NJ 08543 USA. EM jyoo@pppl.gov RI Yamada, Masaaki/D-7824-2015; OI Yamada, Masaaki/0000-0003-4996-1649; Yoo, Jongsoo/0000-0003-3881-1995; Myers, Clayton/0000-0003-4539-8406 FU DOE; NSF FX This work is supported by DOE and NSF. We thank J. Drake, M. Goldman, W. Daughton, and J. Jara-Almonte for valuable discussions, and R. Cutler for technical supports. NR 34 TC 21 Z9 21 U1 2 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 24 PY 2013 VL 110 IS 21 AR 215007 DI 10.1103/PhysRevLett.110.215007 PG 5 WC Physics, Multidisciplinary SC Physics GA 150MJ UT WOS:000319394600004 PM 23745892 ER PT J AU Zhang, T Peng, YH Tong, HM Rames, MJ Zhang, L Ren, G AF Zhang Teng Peng Yunhui Tong Huimin Rames, Matthew J. Zhang Lei Ren Gang TI IPET : An Experimental Method to Determine the 3-Dimensional Structure of An Individual Macromolecule SO PROGRESS IN CHEMISTRY LA Chinese DT Article DE protein dynamics; an individual protein structure; individual-particle electron tomography (IPET); focused electron tomography reconstruction (FETR) algorithm ID NEGATIVE-STAINING PROTOCOL; ELECTRON CRYOMICROSCOPY; DENSITY-LIPOPROTEIN; RESOLUTION; PROTEIN; MODEL; TOMOGRAPHY; MICROSCOPY; FOLD; REFINEMENT AB Dynamic personalities and structural heterogeneities of proteins are essential for understanding their proper functions. However, structure determination of dynamic/heterogeneous protein is limited by current technologies, such as X-ray crystallography and electron microscopy (EM) single particle analysis, both of which generally require averaging from thousands of different proteins based on an assumption that these thousand proteins are structurally identical. Electron tomography (ET) provides a tool for visualization of a unique biological object from a series of tilted viewing angles. Conventional reconstruction methods using whole micrographs provide tools for 3-dimensional (3D) reconstructions of a large biological object, such as bacteria, and sections of cell. However, for small and low-symmetry proteins, these methods have limited power in reconstruction resolution. Recently, Ren's group reported a so-called individual-particle electron tomography (IPET) method, in which, a "focused electron tomography reconstruction (FETR)" algorithm was proposed to improve the reconstruction resolution by decreasing the image size so that it only contains a single-instance protein. IPET method requires no pre-given initial model or average of multiple molecules, but also can tolerate certain levels of measuring tilt errors. In this review, we demonstrate the IPET/FETR method in detail to share this current progress with the researchers in China. We believed IPET is a new and robust approach to determine the structure of a single/individual molecule that is a basis for studying the dynamic character and structural heterogeneity of macromolecule via comparison and structural analyses of structures determined from different individual macromolecules. C1 [Zhang Teng; Peng Yunhui; Tong Huimin; Rames, Matthew J.; Zhang Lei; Ren Gang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Zhang Teng; Peng Yunhui; Tong Huimin] Xi An Jiao Tong Univ, Sch Sci, Xian 710049, Peoples R China. RP Ren, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM gren@lbl.gov RI Zhang, Lei/G-6427-2012 OI Zhang, Lei/0000-0002-4880-824X FU Office of Science, Office of Basic Engergy Sciences of the United States Department of Energy [DE-AC02-05CH11231]; National Institutes of Health, NIH [R01HL115153, R01GM104427] FX This work was supported by the Office of Science, Office of Basic Engergy Sciences of the United States Department of Energy (No. DE-AC02-05CH11231) and National Institutes of Health, NIH (No. R01HL115153, R01GM104427) NR 45 TC 0 Z9 0 U1 1 U2 10 PU CHINESE ACAD SCIENCES PI BEIJING PA NO. 33 BEISIHUANXILU, ZHONGGUANCUN, BEIJING 100080, PEOPLES R CHINA SN 1005-281X J9 PROG CHEM JI Prog. Chem. PD MAY 24 PY 2013 VL 25 IS 5 BP 669 EP 676 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 145OC UT WOS:000319025300002 ER PT J AU Kaczmarski, K Poe, DP Tarafder, A Guiochon, G AF Kaczmarski, Krzysztof Poe, Donald P. Tarafder, Abhijit Guiochon, Georges TI Efficiency of supercritical fluid chromatography columns in different thermal environments SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE Supercritical fluid chromatography; Column efficiency; Heat balance; Mass balance; Van Deemter curve ID PRESSURE LIQUID-CHROMATOGRAPHY; NEAT CARBON-DIOXIDE; MOBILE-PHASE; DESIGNING OPERATIONS; ISOPYCNIC PLOTS; SOLUTE RETENTION; PACKED-COLUMNS; DENSITY DROPS; MASS-TRANSFER; TEMPERATURE AB The efficiency of a packed column eluted with supercritical carbon dioxide at 323 K and outlet pressures from 90 to 150 bar was studied with the column in two different thermal environments. The 150 mm x 2.0 mm ID stainless steel column was packed with spherical 5-mu m porous silica particles with a covalently bonded nonpolar stationary phase, and the test solutes were normal alkanes. When operated in a convective air bath the column exhibited severe efficiency losses when its outlet pressure was below 120 bar. The efficiency of the same column enclosed in a shell made of foam insulation was restored at low outlet pressures down to 100 bar. The van Deemter plots showed an abnormal dependence of the plate height (HETP) on the flow rate at low outlet pressures, exhibiting a maximum in the HETP at flow rates around 1 mL/min and a 20-bar pressure drop. The large efficiency losses at low outlet pressures are due to radial temperature gradients associated with enthalpic expansion and cooling of the mobile phase. The separations were simulated by a numerical model that accounts for axial and radial gradients in the temperature and density along the column. The abnormal van Deemter plots arise from competing processes affecting the radial distribution of the solute migration velocity along the column. The negative impact on efficiency is greatest when the density profile of the mobile phase along the column is close to the critical isopycnic line. The efficiency improves at increased flow rates because of increased cooling at larger pressure drops and increased density along the entire length of the column. The model predicts the unusual trends in the van Deemter plots, but the calculated results at low outlet pressures are strongly influenced by small variations in the porosity distribution in the column, limiting the accuracy of the predicted HETP values. In spite of these difficulties, the model has enabled a detailed analysis of the effects of temperature, pressure and flow rate on the thermal properties of the mobile phase, and their impact on the radial distribution of the solute velocities along the column. This work provides a better appreciation of the factors that cause excess efficiency loss at low outlet pressures, a phenomenon that lacked a convincing explanation for over 40 years. Finally, a simplified form of the model, which ignores the radial gradients, provided accurate results only at the highest outlet pressure. Calculations done by the simplified model are much faster, and it can be recommended for simulation of SFC processes at sufficiently high outlet pressures. (C) 2013 Elsevier B.V. All rights reserved. C1 [Kaczmarski, Krzysztof] Rzeszow Univ Technol, Dept Chem & Proc Engn, PL-35959 Rzeszow, Poland. [Poe, Donald P.] Univ Minnesota, Dept Chem & Biochem, Duluth, MN USA. [Tarafder, Abhijit; Guiochon, Georges] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Guiochon, Georges] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Kaczmarski, K (reprint author), Rzeszow Univ Technol, Dept Chem & Proc Engn, PL-35959 Rzeszow, Poland. EM kkaczmarski@prz.edu.pl NR 49 TC 15 Z9 15 U1 2 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD MAY 24 PY 2013 VL 1291 BP 155 EP 173 DI 10.1016/j.chroma.2013.03.024 PG 19 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 141RY UT WOS:000318745400020 PM 23598158 ER PT J AU Piper, LFJ Quackenbush, NF Sallis, S Scanlon, DO Watson, GW Nam, KW Yang, XQ Smith, KE Omenya, F Chernova, NA Whittingham, MS AF Piper, L. F. J. Quackenbush, N. F. Sallis, S. Scanlon, D. O. Watson, G. W. Nam, K. -W. Yang, X. -Q. Smith, K. E. Omenya, F. Chernova, N. A. Whittingham, M. S. TI Elucidating the Nature of Pseudo Jahn-Teller Distortions in LixMnPO4: Combining Density Functional Theory with Soft and Hard X-ray Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CHARGE COMPENSATION MECHANISM; ABSORPTION-SPECTROSCOPY; ELECTRONIC-STRUCTURE; AB-INITIO; BATTERY MATERIALS; CATHODE; TRANSITION; LIMNPO4; MANGANITES; SCATTERING AB A combination of soft and hard synchrotron-based spectroscopy with first-principles density functional theory within the GGA + U framework is used to investigate the distortion of the Mn local environment of LixMnPO4 as a function of electrochemical delithiation (x = 1.0, 0.75, 0.5, 0.25) and its effect on the electron and hole polaron formation. Analysis of the soft X-ray absorption spectroscopy (XAS) of the Mn L-3,L-2-edges confirmed the evolution from the Mn2+ to the Mn3+ charge state as a two-phase reaction upon delithiation; the corresponding Mn K-edge extended X-ray fine structure measurements clearly revealed a splitting of the Mn-O nearest-neighbor distances with increasing Mn3+ character. In addition, the O K-edge absorption and emission spectra confirmed the corresponding orbital lifting of degeneracy accompanying the distortion of the MnO6 octahedra in the Mn3+ state. Our GGA + U calculations show that the distortion is not a strict Jahn-Teller distortion but is instead a preferential elongation of two of the equatorial Mn-O bonds (edge-sharing with the PO4), which results in a Mn-O-P induction driven hybridization of the unoccupied states (i.e., a pseudo Jahn-Teller distortion). Excellent agreement between the calculated electronic structure and our soft X-ray measurements of the electrochemically delithiated LixMnPO4, nanoparticles verifies the link between the preferential structural distortion and the resultant hybridization of the unoccupied 3d d(xz) and d(x2-y2) orbitals. Our analysis of the corresponding calculated electron and hole polaron supports claims that the elongation of the equatorial bonds (edge-sharing with the PO4) in the Mn3+ charge state (i.e., the pseudo Jahn-Teller distortion) is responsible for increasing the activation energy for polaron migration C1 [Piper, L. F. J.; Quackenbush, N. F.] SUNY Binghamton, Dept Phys Appl Phys & Astron, Binghamton, NY 13902 USA. [Piper, L. F. J.; Sallis, S.; Omenya, F.; Chernova, N. A.; Whittingham, M. S.] SUNY Binghamton, Binghamton, NY 13902 USA. [Scanlon, D. O.] UCL, Kathleen Lonsdale Mat Chem, Dept Chem, London WC1H 0AJ, England. [Watson, G. W.] Univ Dublin Trinity Coll, Sch Chem, Dublin 2, Ireland. [Watson, G. W.] Univ Dublin Trinity Coll, CRANN, Dublin 2, Ireland. [Nam, K. -W.; Yang, X. -Q.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Smith, K. E.] Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Piper, LFJ (reprint author), SUNY Binghamton, Dept Phys Appl Phys & Astron, Binghamton, NY 13902 USA. EM lpiper@binghamton.edu RI Scanlon, David/B-1516-2008; Nam, Kyung-Wan/B-9029-2013; Watson, Graeme/B-4262-2008; Sallis, Shawn/E-6258-2012; Piper, Louis/C-2960-2011 OI Scanlon, David/0000-0001-9174-8601; Nam, Kyung-Wan/0000-0001-6278-6369; Watson, Graeme/0000-0001-6732-9474; Sallis, Shawn/0000-0002-8443-4951; Piper, Louis/0000-0002-3421-3210 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Faculty/Student Research Support Program at the NSLS; Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center; DOE's Office of Science and Office of Basic Energy Science [DE-SC0001294]; American Chemical Society Petroleum Research Fund; Analytical and Diagnostics Laboratory Small Grant program at Binghamton University; SFI through the PI programme [06/IN.1/I92, 06/IN.1/I92/EC07]; EPSRC [EP/F067496]; Ramsay Memorial Trust; University College London; Department of Energy [DE-FG02-98ER45680] FX We thank Prof. F. M. Alamgir for helpful discussions during the preparation of the manuscript. We would also like to thank Dr. Bruce Ravel for his help at beamline X23A2. The NSLS is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. L.F.J.P., N.F.Q, and S.S. acknowledge support from the Faculty/Student Research Support Program at the NSLS. The work at Binghamton University and Brookhaven National Laboratory is supported as part of the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the DOE's Office of Science and Office of Basic Energy Science under Award Number DE-SC0001294. Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for support (or partial support) of this research. Additional support (L.F.J.P) was provided by an Analytical and Diagnostics Laboratory Small Grant program at Binghamton University. The computational work at Trinity College Dublin was supported by SFI through the PI programme (PI Grant numbers 06/IN.1/I92 and 06/IN.1/I92/EC07). Calculations were performed on the Kelvin supercomputer as maintained by TCHPC, and the Stokes cluster as maintained by ICHEC. We acknowledge membership of the U.K.'s HPC Materials Chemistry Consortium, which is funded by EPSRC grant EP/F067496. D.O.S. is grateful to the Ramsay Memorial Trust and University College London for the provision of a Ramsay Fellowship and acknowledges the use of the UCL Legion High Performance Computing Facility,and associated support services, in the completion of this work. The Boston University author (K.E.S.) is supported, in part, by the Department of Energy under Grant No. DE-FG02-98ER45680, NR 58 TC 22 Z9 22 U1 7 U2 99 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 MAY 23 PY 2013 VL 117 IS 20 BP 10383 EP 10396 DI 10.1021/jp3122374 PG 14 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 154CP UT WOS:000319649400020 ER PT J AU Argyris, D Phan, A Striolo, A Ashby, PD AF Argyris, Dimitrios Anh Phan Striolo, Alberto Ashby, Paul D. TI Hydration Structure at the alpha-Al2O3 (0001) Surface: Insights from Experimental Atomic Force Spectroscopic Data and Atomistic Molecular Dynamics Simulations SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METAL-OXIDE SURFACES; THIN WATER FILMS; INTERFACIAL WATER; AQUEOUS-SOLUTIONS; MICROSCOPY; ADSORPTION; RESOLUTION; SILICA; ENERGY; POTENTIALS AB Atomic force spectroscopic data obtained in water on the (0001) face of fully hydroxylated alpha-Al2O3 substrate using a silicon tip are presented. The data are obtained by implementing the Brownian force profile reconstruction method (BFPR), originally proposed by Ashby and Lieber [J. Am. Chem. Soc.2004, 126, 16973]. The method allows for an accurate reconstruction of the high stiffness force-distance curve that highlights the hydration structure. The experimental data are interpreted with the aid of massive atomistic molecular dynamics simulations in which one silicon dioxide disc of similar to 2 nm diameter represents the silicon atomic force microscopy (AFM) tip. The umbrella sampling method is employed to obtain the water-mediated surface-disc force profile. It is possible to distinguish two hydration layers confined between tip and surface in both simulations and experiment. Small variations of the disc features yield some differences in the simulated force-distance curve, and the small disc size is responsible for weakening the evidence for the second hydration layer. One dense layer of water molecules is in contact with the alpha-Al2O3 (0001) substrate. This hydration layer yields a pronounced repulsive force when the AFM tip penetrates it, suggesting highly structured interfacial water. The second hydration layer yields much less intense repulsive forces. The position of the peaks with respect to the solid substrate is consistent with recent experimental X-ray reflectivity data reported by Catalano [Geochim. Cosmochim Acta 2011, 75, 2062] and with previous atomistic simulations conducted for a thin film of water supported on sapphire at ambient conditions by Argyris et al. [J. Phys. Chem. C 2011, 115, 2038].1 C1 [Argyris, Dimitrios; Anh Phan; Striolo, Alberto] Univ Oklahoma, Sch Chem Biol & Mat Engn, Norman, OK 73019 USA. [Ashby, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Striolo, A (reprint author), Univ Oklahoma, Sch Chem Biol & Mat Engn, Norman, OK 73019 USA. EM astriolo@ou.edu; pdashby@lbl.gov RI Foundry, Molecular/G-9968-2014 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001902]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX Financial support was provided to the University of Oklahoma by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract DE-SC0001902. Generous allocations of computing time were provided by the Oklahoma Supercomputer Center for Education and Research (OSCER) and by the National Energy Research Scientific Computing Center (NERSC). Work at the Molecular Foundry and NERSC are supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231. We thank Virginia Altoe for the TEM image of the AFM tip in Figure 2. A.S. is grateful to Miguel Salmeron of LBNL, where he spent his sabbatical. We thank Professor J. Catalano of Washington University in St. Louis for sharing his X-ray reflectivity data and for constructive criticism during the preparation of this paper. NR 60 TC 15 Z9 15 U1 3 U2 71 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 MAY 23 PY 2013 VL 117 IS 20 BP 10433 EP 10444 DI 10.1021/jp400370g PG 12 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 154CP UT WOS:000319649400024 ER PT J AU Deeb, C Zhou, X Plain, J Wiederrecht, GP Bachelot, R Russell, M Jain, PK AF Deeb, Claire Zhou, Xuan Plain, Jerome Wiederrecht, Gary P. Bachelot, Renaud Russell, Milo Jain, Prashant K. TI Size Dependence of the Plasmonic Near-Field Measured via Single-Nanoparticle Photoimaging SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ENHANCED RAMAN-SCATTERING; DISCRETE-DIPOLE APPROXIMATION; GOLD NANOPARTICLES; OPTICAL-ABSORPTION; METAL NANOPARTICLES; PHOTOPOLYMERIZATION; EXCITATION; NANOSCALE; SHAPE; POLYMERIZATION AB Plasmonic nanostructures are being exploited for optical and photovoltaic applications, particularly where field enhancement of optical processes is desirable. Extensive work has focused on the optimization of plasmonic near-fields by geometric tuning and interparticle coupling, but the size tunability of near fields has received less attention. We used single-nanoparticle photochemical imaging to characterize the near field intensity around a plasmonic nanoparticle as a function of size. The measured near field intensity increases with nanoparticle size, reaching a maximum at a size of 50 nm, followed by a decrease at larger sizes. An electrodynamic model explains both the measured size dependence and the optimum size for field enhancement Whereas intrinsic damping is size independent, the smallest nano particles exhibit weak fields due to surface damping of electrons. On the other end, larger nanoparticles show low field enhancement due to strong radiative scattering. The measured volcano trend, however, most closely mirrors the size dependence of electromagnetic retardation. Above 50 nm size, retardation causes damping, but below a size of 50 nm, it surprisingly reduces nonradiative dissipation, a previously unknown effect The size dependence of plasmonic field intensity described here can guide design of plasmonic nanostructures for applications in spectroscopy, photovoltaics, photocatalysis, and lithography. C1 [Deeb, Claire; Zhou, Xuan; Plain, Jerome; Bachelot, Renaud] Univ Technol Troyes, CNRS, UMR 6279, LNIO, Troyes, France. [Wiederrecht, Gary P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Russell, Milo; Jain, Prashant K.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Jain, Prashant K.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. RP Bachelot, R (reprint author), Univ Technol Troyes, CNRS, UMR 6279, LNIO, Troyes, France. EM renaud.bachelot@utt.fr; jain@illinois.edu RI Plain, Jerome/A-2888-2009; Jain, Prashant/A-4779-2009; Bachelot, Renaud/M-6888-2015; OI Jain, Prashant/0000-0002-7306-3972; Deeb, Claire/0000-0002-1323-0660 FU Partner University Funds program (PUF); China scholarship council (CSC); IACAT Faculty fellowship from the NCSA at UIUC; European community FEDER fund; Region Champagne-Ardenne; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank the Partner University Funds program (PUF 2010) for partially supporting this work. X.Z. thanks the China scholarship council (CSC). P.K.J. is supported by an IACAT Faculty fellowship from the NCSA at UIUC. This work was also supported by the European community FEDER fund and the Region Champagne-Ardenne. 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 DE-AC02-06CH11357. P.K.J. thanks S. Pamidighantam for NCSA technical support and Draine and Flatau for use of their DDA codes. NR 49 TC 17 Z9 17 U1 1 U2 64 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 MAY 23 PY 2013 VL 117 IS 20 BP 10669 EP 10676 DI 10.1021/jp4020564 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 154CP UT WOS:000319649400050 ER PT J AU Johnson, TJ Sams, RL Profeta, LTM Akagi, SK Burling, IR Yokelson, RJ Williams, SD AF Johnson, Timothy J. Sams, Robert L. Profeta, Luisa T. M. Akagi, Sheryl K. Burling, Ian R. Yokelson, Robert J. Williams, Stephen D. TI Quantitative IR Spectrum and Vibrational Assignments for Glycolaldehyde Vapor: Glycolaldehyde Measurements in Biomass Burning Plumes SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RADICAL-INITIATED OXIDATION; COMPREHENSIVE LABORATORY MEASUREMENTS; TRANSFORM INFRARED-SPECTROSCOPY; AEROSOL SOA FORMATION; TRACE GAS EMISSIONS; CARBONYL-COMPOUNDS; UNITED-STATES; ATMOSPHERIC CHEMISTRY; ELECTRON CORRELATION; ISOPRENE OXIDATION AB Glycolaldehyde (GA, 2-hydroxyethanal, C2H4O2) is a semivolatile molecule of atmospheric importance, recently proposed as a precursor in the formation of aqueous-phase secondary organic aerosol (SOA). There are few methods to measure GA vapor, but infrared spectroscopy has been used successfully. Using vetted protocols we have completed the first assignment of all fundamental vibrational modes and also derived quantitative IR absorption band strengths using both neat and pressure-broadened GA vapor. Even though GA is problematic due to its propensity to both dimerize and condense, our intensities agree well with the few previously published values. Using the v,0 band Q:branch at 860.51 cm(-1), we have also determined GA mixing ratios in biomass burning plumes generated by field and laboratory burns of fuels from the southeastern and southwestern United States, including the first IR field measurements of GA in smoke. The GA emission factors were anti-correlated with modified combustion efficiency confirming release of GA from smoldering combustion. The GA emission factors (grams of GA emitted per kilogram of biomass burned on a dry mass basis) had a low dependence on fuel type consistent with the production mechanism being pyrolysis of cellulose. GA was emitted at 0.23 +/- 0.13% of CO from field fires, and we calculate that it accounts for similar to 18% of the aqueous-phase SOA precursors that we were able to measure. C1 [Johnson, Timothy J.; Sams, Robert L.; Profeta, Luisa T. M.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Akagi, Sheryl K.; Burling, Ian R.; Yokelson, Robert J.] Univ Montana, Dept Chem, Missoula, MT 59812 USA. [Williams, Stephen D.] Appalachian State Univ, AR Smith Dept Chem, Boone, NC 28608 USA. RP Johnson, TJ (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM timothy.johnson@pnnl.gov RI Yokelson, Robert/C-9971-2011 OI Yokelson, Robert/0000-0002-8415-6808 FU Department of Defense's Strategic Environmental Research and Development Program (SERDP) [RC-1649]; U.S. Department of Energy by the Battelle Memorial Institute [DE-AC06-76RLO 1830] FX This work was supported by the Department of Defense's Strategic Environmental Research and Development Program (SERDP), resources conservation project RC-1649 and we thank them for their support. PNNL is operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 81 TC 15 Z9 15 U1 6 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 23 PY 2013 VL 117 IS 20 BP 4096 EP 4107 DI 10.1021/jp311945p PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 154CR UT WOS:000319649600003 PM 23586688 ER PT J AU Vugmeyster, L Ostrovsky, D Lipton, AS AF Vugmeyster, Liliya Ostrovsky, Dmitry Lipton, Andrew S. TI Origin of Abrupt Rise in Deuteron NMR Longitudinal Relaxation Times of Protein Methyl Groups below 90 K SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SOLID-STATE NMR; VILLIN HEADPIECE SUBDOMAIN; SPIN-LATTICE-RELAXATION; NUCLEAR-MAGNETIC-RESONANCE; MOLECULAR-DYNAMICS SIMULATIONS; HYDROPHOBIC CORE; HELICAL SUBDOMAIN; LOW-TEMPERATURE; CONFORMATIONAL DISTRIBUTIONS; DEPENDENT DYNAMICS AB In order to examine the origin of the abrupt change in the temperature dependence of H-2 NMR longitudinal relaxation times observed previously for methyl groups of L69 in the hydrophobic core of villin headpiece protein at around 90 K (Vugmeyster et al. J. Am. Chem. Soc. 2010, 132, 4038-4039), we extended the measurements to several other methyl groups in the hydrophobic core. We show that, for all methyl groups, relaxation times experience a dramatic jump several orders of magnitude around this temperature. Theoretical modeling supports the conclusion that the origin of the apparent transition in the relaxation times is due to the existence of the distribution of conformers distinguished by their activation energy for methyl three-site hops. It is also crucial to take into account the differential contribution of individual conformers into overall signal intensity. When a particular conformer approaches the regime at which its three-site hop rate constant is on the order of the quadrupolar coupling interaction constant, the intensity of the signal due to this conformer experiences a sharp drop, thus changing the balance of the contributions of different conformers into the overall signal. As a result, the observed apparent transition in the relaxation rates can be explained without the assumption of an underlying transition in the rate constants. This work in combination with earlier results also shows that the model based on the distribution of conformers explains the relaxation behavior in the entire temperature range between 300 and 70 K. C1 [Vugmeyster, Liliya] Univ Alaska Anchorage, Dept Chem, Anchorage, AK 99508 USA. [Ostrovsky, Dmitry] Univ Alaska Anchorage, Dept Math Sci, Anchorage, AK 99508 USA. [Lipton, Andrew S.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Vugmeyster, L (reprint author), Univ Alaska Anchorage, Dept Chem, 3211 Providence Dr, Anchorage, AK 99508 USA. EM lvugmeyster@uaa.alaska.edu FU National Science Foundation Grants [MCB-1122154]; University of Alaska Anchorage; Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory FX This research was funded by National Science Foundation Grants MCB-1122154 to L.V. and D.O. as well as by the Innovate Award of the University of Alaska Anchorage. Experiments were performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. NR 59 TC 6 Z9 6 U1 1 U2 23 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 MAY 23 PY 2013 VL 117 IS 20 BP 6129 EP 6137 DI 10.1021/jp4021596 PG 9 WC Chemistry, Physical SC Chemistry GA 154CU UT WOS:000319649900011 PM 23627365 ER PT J AU Bang, J Wang, Z Gao, F Meng, S Zhang, SB AF Bang, Junhyeok Wang, Z. Gao, F. Meng, S. Zhang, S. B. TI Suppression of nonradiative recombination in ionic insulators by defects: Role of fast electron trapping in Tl-doped CsI SO PHYSICAL REVIEW B LA English DT Article ID SCINTILLATION CHARACTERISTICS; ALKALI-HALIDES; LUMINESCENCE; CRYSTAL; SEMICONDUCTORS; MECHANISMS; DEPENDENCE; CENTERS; CSI(TL); STATE AB In semiconductors, defects often assist nonradiative relaxation. However, Tl doping can significantly suppress the nonradiative relaxation in alkali halides to increase scintillation efficiency. Without the Tl, it is known that the creation of Frenkel pairs at self-trapped excitons, assisted by excited electron and hole relaxations, is the reason for the nonradiative relaxation. Here we show by first-principles calculation that Tl doping introduces Tl p states inside the band gap to trap the excited electrons. The trapping is highly effective to within several picoseconds, as revealed by time-dependent density functional theory calculations. It alters the nonradiative relaxation process to result in a noticeable increase in the relaxation barrier from 0.3 to 0.63 eV, which reduces the nonradiative relaxation by roughly a factor of 10(5) at room temperature. C1 [Bang, Junhyeok; Zhang, S. B.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Wang, Z.; Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Meng, S.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Meng, S.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. RP Bang, J (reprint author), Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RI Zhang, Shengbai/D-4885-2013; Meng, Sheng/A-7171-2010; Wang, Zhiguo/B-7132-2009 OI Zhang, Shengbai/0000-0003-0833-5860; Meng, Sheng/0000-0002-1553-1432; FU National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering [NA-22]; US Department of Energy; Computational Center for Nanotechnology Innovations at RPI; US Department of Energy's Office of Biological and Environmental Research; NSFC [11074287, 11222431]; MOST [2012CB921403] FX This work was supported by the National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering (NA-22), of the US Department of Energy and by the Computational Center for Nanotechnology Innovations at RPI. F.G. and Z.G.W. acknowledge the use of the supercomputers in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research. S.M. is grateful for support from NSFC (Grants No. 11074287 and No. 11222431) and MOST (2012CB921403). NR 37 TC 3 Z9 3 U1 1 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 23 PY 2013 VL 87 IS 20 AR 205206 DI 10.1103/PhysRevB.87.205206 PG 5 WC Physics, Condensed Matter SC Physics GA 149VV UT WOS:000319350400003 ER PT J AU Herper, HC Bernien, M Bhandary, S Hermanns, CF Kruger, A Miguel, J Weis, C Schmitz-Antoniak, C Krumme, B Bovenschen, D Tieg, C Sanyal, B Weschke, E Czekelius, C Kuch, W Wende, H Eriksson, O AF Herper, H. C. Bernien, M. Bhandary, S. Hermanns, C. F. Krueger, A. Miguel, J. Weis, C. Schmitz-Antoniak, C. Krumme, B. Bovenschen, D. Tieg, C. Sanyal, B. Weschke, E. Czekelius, C. Kuch, W. Wende, H. Eriksson, O. TI Iron porphyrin molecules on Cu(001): Influence of adlayers and ligands on the magnetic properties SO PHYSICAL REVIEW B LA English DT Article ID CIRCULAR-DICHROISM; DIPOLE TERM; SPECTRA; SURFACE; SPIN; SEMICONDUCTORS; SUBSTRATE AB The structural and magnetic properties of Fe octaethylporphyrin molecules on Cu(001) have been investigated by means of density functional theory (DFT) methods and x-ray absorption spectroscopy. The molecules have been adsorbed on the bare metal surface and on an oxygen-covered surface, which shows a root 2 x 2 root 2R45 degrees reconstruction. In order to allow for a direct comparison between magnetic moments obtained from sum-rule analysis and DFT, we calculate the spin dipolar term 7T (theta), which is also important in view of the magnetic anisotropy of the molecule. The measured x-ray magnetic circular dichroism shows a strong dependence on the photon incidence angle, which we could relate to a huge value of 7T (theta), e. g., on Cu(001), 7T (theta) amounts to -2.07 mu(B) for normal incidence leading to a reduction of the effective spin moment (m(s) + 7T (theta)). Calculations have also been performed to study the influence of possible ligands such as Cl and O atoms on the magnetic properties of the molecule and the interaction between molecule and surface because the experimental spectra display a clear dependence on the ligand, which is used to stabilize the molecule in the gas phase. Both types of ligands weaken the hybridization between surface and porphyrin molecule and change the magnetic spin state of the molecule, but the changes in the x-ray absorption are clearly related to residual Cl ligands. C1 [Herper, H. C.; Weis, C.; Schmitz-Antoniak, C.; Krumme, B.; Bovenschen, D.; Wende, H.] Univ Duisburg Essen, Fak Phys, D-47048 Duisburg, Germany. [Herper, H. C.; Weis, C.; Schmitz-Antoniak, C.; Krumme, B.; Bovenschen, D.; Wende, H.] Univ Duisburg Essen, Ctr Nanointegrat Duisburg Essen CENIDE, D-47048 Duisburg, Germany. [Herper, H. C.; Bhandary, S.; Sanyal, B.; Eriksson, O.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Bernien, M.; Hermanns, C. F.; Krueger, A.; Kuch, W.] Free Univ Berlin, Inst Expt Phys, D-14195 Berlin, Germany. [Miguel, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Tieg, C.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Weschke, E.] Inst Komplexe Magnet Mat, Helmholtz Zentrum Berlin, D-14109 Berlin, Germany. [Czekelius, C.] Free Univ Berlin, Inst Chem & Biochem, D-14195 Berlin, Germany. RP Herper, HC (reprint author), Univ Duisburg Essen, Fak Phys, Lotharstr 1, D-47048 Duisburg, Germany. EM heike.herper@physics.uu.se RI Wende, Heiko/J-8505-2012; Weschke, Eugen/J-4404-2013; Schmitz-Antoniak, Carolin/C-2234-2009; Herper, Heike/L-5660-2013; Eriksson, Olle/E-3265-2014 OI Weschke, Eugen/0000-0002-2141-0944; Schmitz-Antoniak, Carolin/0000-0002-8450-3515; Eriksson, Olle/0000-0001-5111-1374 FU DFG [CZ 183/1-1, SFB 658, SFB 491]; ERC; eSSENCE; KAW foundation; Swedish Research Council (VR) FX This work has been supported by the DFG in the context of the Emmy-Noether program (CZ 183/1-1) as well as the SFB 658 and the SFB 491. O.E. acknowledges support from the ERC (project ASD), eSSENCE, the KAW foundation, and the Swedish Research Council (VR). The Swedish National Infrastructure for Computing (SNIC) is acknowledged to allocate time in high performance supercomputers. R. Friese is kindly acknowledged for DSC measurements. NR 42 TC 14 Z9 14 U1 2 U2 39 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 23 PY 2013 VL 87 IS 17 AR 174425 DI 10.1103/PhysRevB.87.174425 PG 15 WC Physics, Condensed Matter SC Physics GA 149VM UT WOS:000319349500004 ER PT J AU Norman, MR AF Norman, M. R. TI X-ray natural dichroism and chiral order in underdoped cuprates SO PHYSICAL REVIEW B LA English DT Article ID HIGH-T-C; HIGH-TEMPERATURE SUPERCONDUCTORS; CIRCULAR-DICHROISM; PSEUDOGAP STATE; SYMMETRY; CRYSTALS AB The origin of the Kerr rotation observed in the pseudogap phase of cuprates has been the subject of much speculation. Recently, it has been proposed that this rotationmight be due to chiral charge order. Here, I investigate whether such order can be observed by x-ray natural circular dichroism (XNCD). Several types of charge order were considered, and they can give rise to an XNCD signal depending on the stacking of the order along the c axis. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Norman, MR (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Norman, Michael/C-3644-2013 FU Basic Energy Sciences, Office of Science, US Department of Energy [DE-AC02-06CH11357] FX Work at Argonne is supported by Basic Energy Sciences, Office of Science, US Department of Energy, under Contract No. DE-AC02-06CH11357. The author would like to thank Sergio Di Matteo for many helpful discussions. NR 29 TC 3 Z9 3 U1 0 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 23 PY 2013 VL 87 IS 18 AR 180506 DI 10.1103/PhysRevB.87.180506 PG 5 WC Physics, Condensed Matter SC Physics GA 149VO UT WOS:000319349700004 ER PT J AU Liu, M Hoffman, J Wang, J Zhang, JX Nelson-Cheeseman, B Bhattacharya, A AF Liu, Ming Hoffman, Jason Wang, Jing Zhang, Jinxing Nelson-Cheeseman, Brittany Bhattacharya, Anand TI Non-volatile ferroelastic switching of the Verwey transition and resistivity of epitaxial Fe3O4/PMN-PT (011) SO SCIENTIFIC REPORTS LA English DT Article ID METAL-INSULATOR-TRANSITION; THIN-FILMS; ROOM-TEMPERATURE; MAGNETITE FE3O4; FIELD CONTROL; HETEROSTRUCTURES; MAGNETORESISTANCE; POLARIZATION; TRANSISTOR AB A central goal of electronics based on correlated materials or 'Mottronics' is the ability to switch between distinct collective states with a control voltage. Small changes in structure and charge density near a transition can tip the balance between competing phases, leading to dramatic changes in electronic and magnetic properties. In this work, we demonstrate that an electric field induced two-step ferroelastic switching pathway in (011) oriented 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) (PMN-PT) substrates can be used to tune the Verwey metal-insulator transition in epitaxial Fe3O4 films in a stable and reversible manner. We also observe robust non-volatile resistance switching in Fe3O4 up to room temperature, driven by ferroelastic strain. These results provides a framework for realizing non-volatile and reversible tuning of order parameters coupled to lattice-strain in epitaxial oxide heterostructures over a broad range of temperatures, with potential device applications. C1 [Liu, Ming; Bhattacharya, Anand] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Hoffman, Jason; Nelson-Cheeseman, Brittany; Bhattacharya, Anand] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Wang, Jing; Zhang, Jinxing] Beijing Normal Univ, Dept Phys, Beijing 100875, Peoples R China. RP Liu, M (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mingliu@anl.gov; jxzhang@bnu.edu.cn; anand@anl.gov RI Bhattacharya, Anand/G-1645-2011; Liu, Ming/B-4143-2009 OI Bhattacharya, Anand/0000-0002-6839-6860; Liu, Ming/0000-0002-6310-948X FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Directors' Postdoctoral Fellowship at Argonne; National Science Foundation of China [11274045] FX Work at Argonne National Laboratory, including use of facilities at the Center for Nanoscale Materials, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences under contract No. DE-AC02-06CH11357. Ming Liu was supported by a Directors' Postdoctoral Fellowship at Argonne. The work in Beijing Normal University was supported by National Science Foundation of China under contract No. 11274045. NR 48 TC 62 Z9 62 U1 13 U2 200 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD MAY 23 PY 2013 VL 3 AR 1876 DI 10.1038/srep01876 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 149IW UT WOS:000319313300002 PM 23703150 ER PT J AU Eyink, G Vishniac, E Lalescu, C Aluie, H Kanov, K Burger, K Burns, R Meneveau, C Szalay, A AF Eyink, Gregory Vishniac, Ethan Lalescu, Cristian Aluie, Hussein Kanov, Kalin Buerger, Kai Burns, Randal Meneveau, Charles Szalay, Alexander TI Flux-freezing breakdown in high-conductivity magnetohydrodynamic turbulence SO NATURE LA English DT Article ID MAGNETIC RECONNECTION; DIFFUSION; FIELD; STOCHASTICITY; PLASMAS; LINES AB The idea of 'frozen-in' magnetic field lines for ideal plasmas(1) is useful to explain diverse astrophysical phenomena(2), for example the shedding of excess angular momentum from protostars by twisting of field lines frozen into the interstellar medium. Frozen-in field lines, however, preclude the rapid changes in magnetic topology observed at high conductivities, as in solar flares(2,3). Microphysical plasma processes are a proposed explanation of the observed high rates(4-6), but it is an open question whether such processes can rapidly reconnect astrophysical flux structures much greater in extent than several thousand ion gyroradii. An alternative explanation(7,8) is that turbulent Richardson advection(9) brings field lines implosively together from distances far apart to separations of the order of gyroradii. Here we report an analysis of a simulation of magnetohydrodynamic turbulence at high conductivity that exhibits Richardson dispersion. This effect of advection in rough velocity fields, which appear non-differentiable in space, leads to line motions that are completely indeterministic or 'spontaneously stochastic', as predicted in analytical studies(10-13). The turbulent breakdown of standard flux freezing at scales greater than the ion gyroradius can explain fast reconnection of very large-scale flux structures, both observed (solar flares and coronal mass ejections) and predicted (the inner heliosheath, accretion disks, gamma-ray bursts and so on). For laminar plasma flows with smooth velocity fields or for low turbulence intensity, stochastic flux freezing reduces to the usual frozen-in condition. [GRAPHICS] . C1 [Eyink, Gregory; Lalescu, Cristian; Aluie, Hussein] Johns Hopkins Univ, Dept Appl Math & Stat, Baltimore, MD 21218 USA. [Eyink, Gregory; Szalay, Alexander] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Eyink, Gregory; Meneveau, Charles] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. [Eyink, Gregory; Burns, Randal; Meneveau, Charles; Szalay, Alexander] Johns Hopkins Univ, Inst Data Intens Engn & Sci, Baltimore, MD 21218 USA. [Vishniac, Ethan] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. [Aluie, Hussein] Los Alamos Natl Lab, T Div, Los Alamos, NM 87545 USA. [Aluie, Hussein] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Kanov, Kalin; Burns, Randal] Johns Hopkins Univ, Dept Comp Sci, Baltimore, MD 21218 USA. [Buerger, Kai] Tech Univ Munich, Fak Informat, D-85748 Garching, Germany. RP Eyink, G (reprint author), Johns Hopkins Univ, Dept Appl Math & Stat, 3400 North Charles St, Baltimore, MD 21218 USA. EM eyink@jhu.edu OI Vishniac, Ethan/0000-0002-2307-3857; Lalescu, Cristian C/0000-0003-0043-6632; Meneveau, Charles/0000-0001-6947-3605 FU US NSF [CDI-II: CMMI0941530, OCI-108849]; JHU's Institute for Data Intensive Engineering Science; National Science and Engineering Research Council of Canada FX The work of the group at the Johns Hopkins University was supported by the US NSF grant CDI-II: CMMI0941530, andthe database infrastructure was supported by US NSF grant OCI-108849 and JHU's Institute for Data Intensive Engineering & Science. The work of E. V. was supported by the National Science and Engineering Research Council of Canada. The authors thank R. Westermann for his contributions to the visualization tool and A. Lazarian for discussions of the science. NR 30 TC 41 Z9 41 U1 1 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD MAY 23 PY 2013 VL 497 IS 7450 BP 466 EP 469 DI 10.1038/nature12128 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 148OG UT WOS:000319254000042 PM 23698445 ER PT J AU Handley, KM Lloyd, JR AF Handley, Kim M. Lloyd, Jonathan R. TI Biogeochemical implications of the ubiquitous colonization of marine habitats and redox gradients by Marinobacter species SO FRONTIERS IN MICROBIOLOGY LA English DT Review DE Marinobacter; marine; hydrothermal; biogeochemical cycling; hydrocarbon; iron; arsenic; opportunistic ID MODERATELY HALOPHILIC BACTERIUM; FERRUGINOUS HYDROTHERMAL SEDIMENT; IRON-OXIDIZING BACTERIA; MID-ATLANTIC RIDGE; SP-NOV.; DEEP-SEA; GENOME SEQUENCE; COMMUNITY PROTEOMICS; MICROBIAL COMMUNITY; AEROBIC METABOLISM AB The Mannobacter genus comprises widespread marine bacteria, found in localities as diverse as the deep ocean, coastal seawater and sediment, hydrothermal settings, oceanic basalt, sea-ice, sand, solar salterns, and oil fields. Terrestrial sources include saline soil and wine-barrel-decalcification wastewater. The genus was designated in 1992 for the Gram-negative, hydrocarbon-degrading bacterium Marinobacter hydrocarbonoclasticus. Since then, a further 31 type strains have been designated. Nonetheless, the metabolic range of many Mannobacter species remains largely unexplored. Most species have been classified as aerobic heterotrophs, and assessed for limited anaerobic pathways (fermentation or nitrate reduction), whereas studies of low-temperature hydrothermal sediments, basalt at oceanic spreading centers, and phytoplankton have identified species that possess a respiratory repertoire with significant biogeochemical implications. Notable physiological traits include nitrate-dependent Fe(II)-oxidation, arsenic and fumarate redox cycling, and Mn(II) oxidation. There is also evidence for Fe(III) reduction, and metal(loid) detoxification. Considering the ubiquity and metabolic capabilities of the genus, Mannobacter species may perform an important and underestimated role in the biogeochemical cycling of organics and metals in varied marine habitats, and spanning aerobic-to-anoxic redox gradients. C1 [Handley, Kim M.] Univ Chicago, Computat Inst, Searle Chem Lab, Chicago, IL 60637 USA. [Handley, Kim M.] Argonne Natl Lab, Chicago, IL USA. [Lloyd, Jonathan R.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England. RP Handley, KM (reprint author), Univ Chicago, Computat Inst, Searle Chem Lab, 5735 South Ellis Ave, Chicago, IL 60637 USA. EM kmhandley@uchicago.edu OI Handley, Kim/0000-0003-0531-3009 FU European Union through the BIOtransformations of TRace elements in AquatiC Systems (BIOTRACS) EST programme, Marie Curie Actions FX We acknowledge funding support from the European Union through the BIOtransformations of TRace elements in AquatiC Systems (BIOTRACS) EST programme, Marie Curie Actions. NR 105 TC 5 Z9 5 U1 3 U2 35 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 22 PY 2013 VL 4 AR 136 DI 10.3389/fmicb.2013.00136 PG 10 WC Microbiology SC Microbiology GA AA5FO UT WOS:000331121700001 PM 23734151 ER PT J AU Volkow, ND Tomasi, D Wang, GJ Telang, F Fowler, JS Goldstein, RZ Klein, N Wong, C Swanson, JM Shumay, E AF Volkow, Nora D. Tomasi, Dardo Wang, Gene-Jack Telang, Frank Fowler, Joanna S. Goldstein, Rita Z. Klein, Nelly Wong, Christopher Swanson, James M. Shumay, Elena TI Association between Dopamine D4 Receptor Polymorphism and Age Related Changes in Brain Glucose Metabolism SO PLOS ONE LA English DT Article ID POSITRON-EMISSION-TOMOGRAPHY; E TYPE-4 ALLELE; COGNITIVE DECLINE; D4 GENE; DEFICIT/HYPERACTIVITY DISORDER; DIFFERENTIAL SUSCEPTIBILITY; ALZHEIMERS-DISEASE; HEALTHY-SUBJECTS; NOVELTY SEEKING; DRD4 GENE AB Aging is associated with reductions in brain glucose metabolism in some cortical and subcortical regions, but the rate of decrease varies significantly between individuals, likely reflecting genetic and environmental factors and their interactions. Here we test the hypothesis that the variant of the dopamine receptor D4 (DRD4) gene (VNTR in exon 3), which has been associated with novelty seeking and sensitivity to environmental stimuli (negative and positive) including the beneficial effects of physical activity on longevity, influence the effects of aging on the human brain. We used positron emission tomography (PET) and [F-18]fluoro-D-glucose ((18)FDG) to measure brain glucose metabolism (marker of brain function) under baseline conditions (no stimulation) in 82 healthy individuals (age range 22-55 years). We determined their DRD4 genotype and found an interaction with age: individuals who did not carry the 7-repeat allele (7R-, n = 53) had a significant (p<0.0001) negative association between age and relative glucose metabolism (normalized to whole brain glucose metabolism) in frontal (r = -0.52), temporal (r = -0.51) and striatal regions (r = -0.47, p<0.001); such that older individuals had lower metabolism than younger ones. In contrast, for carriers of the 7R allele (7R+ n = 29), these correlations with age were not significant and they only showed a positive association with cerebellar glucose metabolism (r = +0.55; p = 0.002). Regression slopes of regional brain glucose metabolism with age differed significantly between the 7R+ and 7R- groups in cerebellum, inferior temporal cortex and striatum. These results provide evidence that the DRD4 genotype might modulate the associations between regional brain glucose metabolism and age and that the carriers of the 7R allele appear to be less sensitive to the effects of age on brain glucose metabolism. C1 [Volkow, Nora D.; Tomasi, Dardo] NIDA, NIH, Bethesda, MD 20892 USA. [Volkow, Nora D.; Telang, Frank; Wong, Christopher] NIAAA, NIH, Bethesda, MD USA. [Wang, Gene-Jack; Fowler, Joanna S.; Goldstein, Rita Z.; Klein, Nelly; Shumay, Elena] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Swanson, James M.] Univ Calif Irvine, Dept Pediat, Irvine, CA 92717 USA. RP Volkow, ND (reprint author), NIDA, NIH, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov RI Tomasi, Dardo/J-2127-2015 FU National Institutes of Health (Intramural Research Program of the National Institute on Alcoholism and Alcohol Abuse) FX This research was supported by the National Institutes of Health (Intramural Research Program of the National Institute on Alcoholism and Alcohol Abuse). The funding agency had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 61 TC 3 Z9 5 U1 2 U2 12 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 22 PY 2013 VL 8 IS 5 AR UNSP e63492 DI 10.1371/journal.pone.0063492 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 163UP UT WOS:000320362700027 PM 23717434 ER PT J AU Roberts, NA Fowlkes, JD Mahady, K Afkhami, S Kondic, L Rack, PD AF Roberts, Nicholas A. Fowlkes, Jason D. Mahady, Kyle Afkhami, Shahriar Kondic, Lou Rack, Philip D. TI Directed Assembly of One- and Two-Dimensional Nanoparticle Arrays from Pulsed Laser Induced Dewetting of Square Waveforms SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE pulsed laser induced dewetting; directed assembly ID LIQUID-METAL FILMS; NANOSCALE; EVOLUTION; PARTICLES; SURFACE; SIO2 AB The directed assembly of arrayed nanoparticles is demonstrated by dictating the flow of a liquid phase filament on the nanosecond time scale. Results for the assembly of Ni nanoparticles on SiO2 are presented. Previously, we have implemented a sinusoidal perturbation on the edge of a solid phase Ni, thin film strip to tailor nanoparticle assembly. Here, a nonlinear square waveform is explored This waveform made it possible to expand the range of nanoparticle spacing-radius combinations attainable, which is otherwise limited by the underlying Rayleigh-Plateau type of instability. Simulations of full Navier-Stokes equations based on volume of fluid method were implemented to gain further insight regarding the nature of instability mechanism leading to particle formation in experiments. C1 [Roberts, Nicholas A.; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Fowlkes, Jason D.; Rack, Philip D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Mahady, Kyle; Afkhami, Shahriar; Kondic, Lou] New Jersey Inst Technol, Dept Math Sci, Newark, NJ 07102 USA. RP Rack, PD (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM prack@utk.edu RI Roberts, Nicholas/H-3275-2014; OI Roberts, Nicholas/0000-0002-6490-9454; Rack, Philip/0000-0002-9964-3254 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division NSF [CBET 1235710]; Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory FX J. Fowlkes acknowledges support from the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division for sponsoring the aspects of this work related to understanding the fundamental mechanisms operative during liquid phase, thin film dewetting. P. Rack and L. Kondic acknowledge partial support by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division NSF Grant No. CBET 1235710. A portion of this work was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy. The authors acknowledge many useful and insightful discussions with Javier Diez and Alejandro Gonzalez of Universidad Nacional del Centro de la Provincia de Buenos Aries, Argentina. NR 36 TC 12 Z9 12 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 22 PY 2013 VL 5 IS 10 BP 4450 EP 4456 DI 10.1021/am400925h PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 152SK UT WOS:000319551200064 PM 23607517 ER PT J AU Planas, N Dzubak, AL Poloni, R Lin, LC McManus, A McDonald, TM Neaton, JB Long, JR Smit, B Gagliardi, L AF Planas, Nora Dzubak, Allison L. Poloni, Roberta Lin, Li-Chiang McManus, Alison McDonald, Thomas M. Neaton, Jeffrey B. Long, Jeffrey R. Smit, Berend Gagliardi, Laura TI The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal-Organic Framework SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID POROUS POLYMER NETWORKS; CARBAMATE FORMATION; AQUEOUS-SOLUTION; FLUE-GAS; CAPTURE; CO2; KINETICS; ABSORPTION; MONOETHANOLAMINE; CUBTTRI AB The mechanism of CO2 adsorption in the amine-functionalized metal-organic framework mmen-Mg-2(dobpdc) (dobpdc(4-) = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate; mmen = N,N'-dimethylethylenediamine) was characterized by quantum-chemical calculations. The material was calculated to demonstrate 2:2 amine:CO2 stoichiometry with a higher capacity and weaker CO2 binding energy than for the 2:1 stoichiometry observed in most amine-functionalized adsorbents. We explain this behavior in the form of a hydrogen-bonded complex involving two carbamic acid moieties resulting from the adsorption of CO2 onto the secondary amines. C1 [Planas, Nora; Dzubak, Allison L.; McManus, Alison; Gagliardi, Laura] Univ Minnesota, Dept Chem, Supercomp Inst, Minneapolis, MN 55455 USA. [Planas, Nora; Dzubak, Allison L.; McManus, Alison; Gagliardi, Laura] Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA. [Poloni, Roberta; Lin, Li-Chiang; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [McDonald, Thomas M.; Long, Jeffrey R.; Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Poloni, Roberta; McDonald, Thomas M.; Long, Jeffrey R.; Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Smit, B (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM Berend-Smit@berkeley.edu; gagliard@umn.edu RI Smit, Berend/B-7580-2009; EFRC, CGS/I-6680-2012; Lin, Li-Chiang/J-8120-2014; Stangl, Kristin/D-1502-2015; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; OI Smit, Berend/0000-0003-4653-8562; Neaton, Jeffrey/0000-0001-7585-6135; Lin, Li-Chiang/0000-0002-2821-9501 FU U.S. Department of Energy [DE-FG02-11ER16283, SC0006860, DE-SC0001015, DE- AC02-05CH11231, DE-FG02-12ER16362, SC0008688]; Louise T. Dosdall Fellowship FX This research was supported by the U.S. Department of Energy under Contracts DE-FG02-11ER16283 (# SC0006860), DE-SC0001015, DE- AC02-05CH11231, and DE-FG02-12ER16362 (#SC0008688). (A detailed acknowledgement can be found in the SI.) A.L.D. is grateful for support through the Louise T. Dosdall Fellowship. We thank Jeffrey Reimer, Xueqian Kong, and Christopher J. Cramer for useful discussions. NR 22 TC 88 Z9 88 U1 6 U2 219 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 EI 1520-5126 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7402 EP 7405 DI 10.1021/ja4004766 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000004 PM 23627764 ER PT J AU Rivest, JB Buonsanti, R Pick, TE Zhu, LN Lim, E Clavero, C Schaible, E Helms, BA Milliron, DJ AF Rivest, Jessy B. Buonsanti, Raffaella Pick, Teresa E. Zhu, Lina Lim, Eunhee Clavero, Cesar Schaible, Eric Helms, Brett A. Milliron, Delia J. TI Evolution of Ordered Metal Chalcogenide Architectures through Chemical Transformations SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NANOCRYSTAL SURFACES; CATION-EXCHANGE; AEROGELS; SULFIDE AB Metal chalcogenides are important materials for a myriad of devices, but the ability to control their porosity is lacking. We report a method of inducing hierarchically ordered porosity using surface-treated nanocrystals and complementary architecture-directing agents. The resulting mesoporous materials are robust to thermal annealing and chemical transformations. C1 [Rivest, Jessy B.; Buonsanti, Raffaella; Pick, Teresa E.; Zhu, Lina; Helms, Brett A.; Milliron, Delia J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Lim, Eunhee; Schaible, Eric] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Clavero, Cesar] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Helms, BA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM bahelms@lbl.gov; dmilliron@lbl.gov RI Clavero, Cesar/C-4391-2008; Milliron, Delia/D-6002-2012; Foundry, Molecular/G-9968-2014; OI Clavero, Cesar/0000-0001-6665-3141; Helms, Brett/0000-0003-3925-4174 FU U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Early Career Research Program FX This work was performed at the Molecular Foundry (MF) and the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, supported by the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. D.J.M. and J.B.R were supported by a DOE Early Career Research Program grant, and GISAXS data were collected at the ALS, beamline 7.3.3, all under the same contract. We also gratefully acknowledge Dr. E. Chan for supplying CdSe NCs synthesized at the MF using WANDA, and Dr. A. Llordes for helpful discussions. NR 21 TC 15 Z9 15 U1 4 U2 82 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7446 EP 7449 DI 10.1021/ja403071w PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000015 PM 23662980 ER PT J AU Marquardt, D Williams, JA Kucerka, N Atkinson, J Wassall, SR Katsaras, J Harroun, TA AF Marquardt, Drew Williams, Justin A. Kucerka, Norbert Atkinson, Jeffrey Wassall, Stephen R. Katsaras, John Harroun, Thad A. TI Tocopherol Activity Correlates with Its Location in a Membrane: A New Perspective on the Antioxidant Vitamin E SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID POLYUNSATURATED LIPID-MEMBRANE; IN-WATER EMULSIONS; ALPHA-TOCOPHEROL; FREE-RADICALS; HYDROCARBON CHAINS; PEROXYL RADICALS; MODEL MEMBRANES; PHOSPHOLIPID-MEMBRANES; MOLECULAR-MECHANISM; SIGNAL-TRANSDUCTION AB We show evidence of an antioxidant mechanism for vitamin E which correlates strongly with its physical location in a model lipid bilayer. These data address the overlooked problem of the physical distance between the vitamin's reducing hydrogen and lipid acyl chain radicals. Our combined data from neutron diffraction, NMR, and UV spectroscopy experiments all suggest that reduction of reactive oxygen species and lipid radicals occurs specifically at the membrane's hydrophobic-hydrophilic interface. The latter is possible when the acyl chain "snorkels" to the interface from the hydrocarbon matrix. Moreover, not all model lipids are equal in this regard, as indicated by the small differences in vitamin's location. The present result is a clear example of the importance of lipid diversity in controlling the dynamic structural properties of biological membranes. Importantly, our results suggest that measurements of aToc oxidation kinetics, and its products, should be revisited by taking into consideration the physical properties of the membrane in which the vitamin resides. C1 [Marquardt, Drew; Katsaras, John; Harroun, Thad A.] Brock Univ, Dept Phys, St Catharines, ON L2S 3A1, Canada. [Williams, Justin A.; Wassall, Stephen R.] Indiana Univ Purdue Univ, Dept Phys, Indianapolis, IN 46202 USA. [Kucerka, Norbert; Katsaras, John] CNR, Canadian Neutron Beam Ctr, Chalk River, ON K0J 1J0, Canada. [Atkinson, Jeffrey] Brock Univ, Dept Chem, St Catharines, ON L2S 3A1, Canada. [Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Katsaras, John] Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA. RP Harroun, TA (reprint author), Brock Univ, Dept Phys, St Catharines, ON L2S 3A1, Canada. OI Katsaras, John/0000-0002-8937-4177; Atkinson, Jeffrey/0000-0003-3710-4893; Harroun, Thad/0000-0001-9816-2590; Marquardt, Drew/0000-0001-6848-2497 FU National Science and Engineering Research Council of Canada (NSERC); Research Corporation through the Cottrell College Science Award; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Scientific User Facilities Division of the Office of Basic Energy Sciences FX We acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce, in providing the AND/R neutron research facilities used in this work. This project was supported by National Science and Engineering Research Council of Canada (NSERC). The authors are grateful to the Canadian Neutron Beam Centre (Chalk River) for supporting neutron diffraction measurements. T.A.H. gratefully acknowledges support from the Research Corporation through the Cottrell College Science Award. J.K. is supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Batelle, LLC, for the U.S. Department of Energy (DOE). Support for J.K. from the Scientific User Facilities Division of the Office of Basic Energy Sciences is also acknowledged. NR 65 TC 40 Z9 41 U1 2 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7523 EP 7533 DI 10.1021/ja312665r PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000025 PM 23581571 ER PT J AU Kim, JH Abouelnasr, M Lin, LC Smit, B AF Kim, Jihan Abouelnasr, Mahmoud Lin, Li-Chiang Smit, Berend TI Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CARBON-DIOXIDE CAPTURE; POROUS MATERIALS; TRANSITION-STATE; ADSORPTION; DIFFUSION; SIMULATIONS; CH4 AB We have conducted large-scale screening of zeolite materials for CO2/CH4 and CO2/N-2 membrane separation applications using the free energy landscape of the guest molecules inside these porous materials. We show how advanced molecular simulations can be integrated with the design of a simple separation process to arrive at a metric to rank performance of over 87 000 different zeolite structures, including the known IZA zeolite structures. Our novel, efficient algorithm using graphics processing units can accurately characterize both the adsorption and diffusion properties of a given structure in just a few seconds and accordingly find a set of optimal structures for different desired purity of separated gases from a large database of porous materials in reasonable wall time. Our analysis reveals that the optimal structures for separations usually consist of channels with adsorption sites spread relatively uniformly across the entire channel such that they feature well-balanced CO2 adsorption and diffusion properties. Our screening also shows that the top structures in the predicted zeolite database outperform the best known zeolite by a factor of 4-7. Finally, we have identified a completely different optimal set of zeolite structures that are suitable for an inverse process, in which the CO2 is retained while CH4 or N-2 is passed through a membrane. C1 [Kim, Jihan; Smit, Berend] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Abouelnasr, Mahmoud; Lin, Li-Chiang; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Kim, JH (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jihankim@lbl.gov RI Smit, Berend/B-7580-2009; Kim, Jihan/H-8002-2013; EFRC, CGS/I-6680-2012; Lin, Li-Chiang/J-8120-2014; Stangl, Kristin/D-1502-2015; OI Smit, Berend/0000-0003-4653-8562; Lin, Li-Chiang/0000-0002-2821-9501 FU U.S. Department of Energy [DE-AC02-05CH11231]; Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy; Deutsche Forschungsgemeinschaft (DFG) [SPP 1570]; Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015] FX J.K. was supported by the Assistant Secretary for Fossil Energy of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. M.A. was supported by the Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy. L.-C.L. was supported by the Deutsche Forschungsgemeinschaft (DFG, priority program SPP 1570). B.S. was supported as part of the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0001015. NR 36 TC 34 Z9 35 U1 12 U2 137 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7545 EP 7552 DI 10.1021/ja400267g PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000027 PM 23654217 ER PT J AU Lapidus, SH Halder, GJ Chupas, PJ Chapman, KW AF Lapidus, Saul H. Halder, Gregory J. Chupas, Peter J. Chapman, Karena W. TI Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)(2) SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID METAL-ORGANIC FRAMEWORK; NEGATIVE THERMAL-EXPANSION; INDUCED AMORPHIZATION; CRYSTAL-STRUCTURES; LINEAR COMPRESSIBILITY; RATIONAL DESIGN; PORE-SIZE; PHASE; CAPTURE; CYANIDE AB Systematic exploration of the molecular framework material Zn(CN)(2) at high pressure has revealed several distinct series of transitions leading to five new phases: four crystalline and one amorphous. The structures of the new crystalline phases have been resolved through ab initio structural determination, combining charge flipping and direct space methods, based on synchrotron powder diffraction data. The specific transition activated under pressure depends principally on the pressure-transmitting fluid used. Without fluid or in large molecule fluids (e.g., isopropanol, ethanol, or fluorinert), the high-pressure behavior intrinsic to Zn(CN)(2) is observed; the doubly interpenetrated diamondoid framework structure transforms to a distorted, orthorhombic polymorph, Zn(CN)(2)-II (Pbca) at similar to 1.50-1.58 GPa with asymmetric displacement of the bridging CN ligand and reorientation of the Zn(C/N)(4) tetrahedra. In small molecule fluids (e.g., water, methanol, methanol-ethanol-water), the nonporous interpenetrated Zn(CN)(2) framework can undergo_reconstructive transitions to porous, non-interpenetrated polymorphs with different topologies: diamondoid (dia-Zn(CN)(2), Fd (3) over barm, P-trans similar to 1.2 GPa), londaleite (Ion-Zn(CN)(2), P6(3)/mmc, P-trans similar to 0.9 GPa), and pyrite-like (pyr-Zn(CN)(2), Pa (3) over bar, P-trans similar to 1.8 GPa). Remarkably, these pressure-induced transitions are associated with near 2-fold volume expansions. While an increase in volume with pressure is counterintuitive, the resulting new phases contain large fluid-filled pores, such that the combined solid + fluid volume is reduced and the inefficiencies in space filling by the interpenetrated parent phase are eliminated. That both dia-Zn(CN)(2) and Ion-Zn(CN)(2) phases were retained upon release to ambient pressure demonstrates the potential for application of hydrostatic pressures to interpenetrated framework systems as a novel means to generate new porous materials. C1 [Lapidus, Saul H.; Halder, Gregory J.; Chupas, Peter J.; Chapman, Karena W.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Lapidus, Saul H.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Chapman, KW (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. EM chapmank@aps.anl.gov RI Halder, Gregory/C-5357-2013 FU U.S. Department of Energy [DE-AC02-06CH11357] FX Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory, were supported by the U.S. Department of Energy under contract no. DE-AC02-06CH11357. NR 53 TC 26 Z9 26 U1 1 U2 91 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7621 EP 7628 DI 10.1021/ja4012707 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000035 PM 23634869 ER PT J AU Lai, YT Tsai, KL Sawaya, MR Asturias, FJ Yeates, TO AF Lai, Yen-Ting Tsai, Kuang-Lei Sawaya, Michael R. Asturias, Francisco J. Yeates, Todd O. TI Structure and Flexibility of Nanoscale Protein Cages Designed by Symmetric Self-Assembly SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID COMPUTATIONAL DESIGN; CRYSTAL AB Designing protein molecules that self-assemble into complex architectures is an outstanding goal in the area of nanobiotechnology. One design strategy for doing this involves genetically fusing together two natural proteins, each of which is known to form a simple oligomer on its own (e.g., a dimer or trimer). If two such components can be fused in a geometrically predefined configuration, that designed subunit can, in principle, assemble into highly symmetric architectures. Initial experiments showed that a 12-subunit tetrahedral cage, 16 nm in diameter, could be constructed following such a procedure [Padilla, J. E.; et al. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 2217; Lai, Y. T.; et al. Science 2012, 336, 1129]. Here we characterize multiple crystal structures of protein cages constructed in this way, including cages assembled from two mutant forms of the same basic protein subunit. The flexibilities of the designed assemblies and their deviations from the target model are described, along with implications for further design developments. C1 [Lai, Yen-Ting] Univ Calif Los Angeles, Dept Bioengn, Los Angeles, CA 90095 USA. [Tsai, Kuang-Lei; Asturias, Francisco J.] Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA. [Sawaya, Michael R.; Yeates, Todd O.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. [Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Yeates, Todd O.] Univ Calif Los Angeles, Calif Nanosyst Inst, Los Angeles, CA 90095 USA. RP Yeates, TO (reprint author), Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. EM yeates@mbi.ucla.edu OI Yeates, Todd/0000-0001-5709-9839; Sawaya, Michael/0000-0003-0874-9043 FU Biological and Environmental Research program of the Department of Energy Office of Science; UCLA MBI Whitcome fellowship; U.S. National Institutes of Health [R01 67167]; National Resource for Automated Macromolecular Microscopy (NRAMM) FX This work was supported by the Biological and Environmental Research program of the Department of Energy Office of Science and by the UCLA MBI Whitcome fellowship to Y.-T.L. Electron microscopy studies were supported by U.S. National Institutes of Health grant R01 67167 (F.J.A.). We thank Duilio Cascio and Michael Thompson for X-ray data collection at the Advanced Photon Source, the staff at APS beamline 24-ID-C Martin Phillips for assistance with CD spectroscopy, and the National Resource for Automated Macromolecular Microscopy (NRAMM) for support. NR 27 TC 35 Z9 35 U1 3 U2 65 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7738 EP 7743 DI 10.1021/ja402277f PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000048 PM 23621606 ER PT J AU Mandeltort, L Chen, DL Saidi, WA Johnson, JK Cole, MW Yates, JT AF Mandeltort, Lynn Chen, De-Li Saidi, Wissam A. Johnson, J. Karl Cole, Milton W. Yates, John T., Jr. TI Experimental and Theoretical Comparison of Gas Desorption Energies on Metallic and Semiconducting Single-Walled Carbon Nanotubes SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID INITIO MOLECULAR-DYNAMICS; WAVE BASIS-SET; AB-INITIO; ELECTRONIC-PROPERTIES; PHYSICAL ADSORPTION; OLIGOMER DESORPTION; GRAPHITE SURFACE; HE ATOM; PHASE; DIFFRACTION AB Single-walled carbon nanotubes (SWNTs) exhibit high surface areas and precisely defined pores, making them potentially useful materials for gas adsorption and purification. A thorough understanding of the interactions between adsorbates and SWNTs is therefore critical to predicting adsorption isotherms and selectivities. Metallic (M-) and semiconducting (S-) SWNTs have extremely different polarizabilities that might be expected to significantly affect the adsorption energies of molecules. We experimentally and theoretically show that this expectation is contradicted, for both a long chain molecule (n-heptane) and atoms (Ar, Kr, and Xe). Temperature-programmed desorption experiments are combined with van der Waals corrected density functional theory, examining adsorption on interior and exterior sites of the SWNTs. Our calculations show a clear dependence of the adsorption energy on nanotube diameter but not on whether the tubes are conducting or insulating. We find no significant experimental or theoretical difference in adsorption energies for molecules adsorbed on M- and S-SWNTs having the same diameter. Hence, we conclude that the differences in polarizabilities between M- and S-SWNTs have a negligible influence on gas adsorption for spherical molecules as well as for highly anisotropic molecules such as n-heptane. We expect this conclusion to apply to all types of adsorbed molecules where van der Waals interactions govern the molecular interaction with the SWNT. C1 [Mandeltort, Lynn; Yates, John T., Jr.] Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA. [Chen, De-Li; Saidi, Wissam A.; Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Cole, Milton W.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. RP Johnson, JK (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. EM karlj@pitt.edu; johnt@virginia.edu RI Chen, De-Li/H-6867-2012; Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 FU Department of Energy [DE-SC0004484]; DTRA [HDTRA1-09-1-0008] FX This material is based upon work supported by the Department of Energy under Award Number DE-SC0004484 and by DTRA under Contract Number HDTRA1-09-1-0008. Calculations were performed at the University of Pittsburgh Center for Simulation and Modeling. We thank Hye-Young Kim for the classical potential calculations and John Dobson for several discussions of van der Waals interactions. NR 73 TC 16 Z9 16 U1 3 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 22 PY 2013 VL 135 IS 20 BP 7768 EP 7776 DI 10.1021/ja402928s PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 152SI UT WOS:000319551000052 PM 23627526 ER PT J AU Ahmad, I Greene, JP Kondev, FG Zhu, S Carpenter, MP Janssens, RVF Boll, RA Ezold, JG Van Cleve, SM Browne, E AF Ahmad, I. Greene, J. P. Kondev, F. G. Zhu, S. Carpenter, M. P. Janssens, R. V. F. Boll, R. A. Ezold, J. G. Van Cleve, S. M. Browne, E. TI alpha decay of Bk-249(97) and levels in Am-245(95) SO PHYSICAL REVIEW C LA English DT Article ID ENERGY; CONVERSION; ISOTOPES; NUCLEAR; ES-253; REGION; TH-229; STATES; CM; CF AB alpha decay of Bk-249 has been investigated by measuring its alpha and gamma-ray spectra, both in singles and in coincidence modes. The alpha spectrum of a freshly purified Bk-249 sample was measured with a high-resolution, double-focusing magnetic spectrometer. gamma singles, gamma-gamma coincidence, and gamma-alpha coincidence spectra were also recorded. The absolute intensity of the 327.45-keV gamma ray has been determined to be (1.44 +/- 0.08) x 10(-5)% per Bk-249 decay. Assignments of previously known single-particle states were confirmed. A new rotational band was identified in the alpha singles spectrum and Am K x rays have been observed in its decay. This single-particle state, with an energy of 154 keV, has been assigned to the 3/2(-)[521] Nilsson state. This is the lowest excitation energy for this orbital in any Am nucleus. More precise energies and intensities of the Bk-249 alpha groups and gamma-ray transitions are provided. C1 [Ahmad, I.; Greene, J. P.; Kondev, F. G.; Zhu, S.; Carpenter, M. P.; Janssens, R. V. F.] Argonne Natl Lab, Argonne, IL 60439 USA. [Boll, R. A.; Ezold, J. G.; Van Cleve, S. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Browne, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Ahmad, I (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Carpenter, Michael/E-4287-2015; Boll, Rose/C-4138-2016 OI Carpenter, Michael/0000-0002-3237-5734; Boll, Rose/0000-0003-2507-4834 FU US Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357, DE-AC05-00OR22725, DE-AC02-05CH11231] FX The alpha spectra reported here were measured by the late John Milsted. This work was supported by the US Department of Energy, Office of Nuclear Physics, under contract No. DE-AC02-06CH11357 (ANL), contract No. DE-AC05-00OR22725 (ORNL), and contract No. DE-AC02-05CH11231 (LBNL). The authors are also indebted for the use of 249Bk to the Office of Nuclear Physics, U.S. Department of Energy, through the transplutonium element production facilities at Oak Ridge National Laboratory. NR 23 TC 7 Z9 7 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 22 PY 2013 VL 87 IS 5 AR 054328 DI 10.1103/PhysRevC.87.054328 PG 7 WC Physics, Nuclear SC Physics GA 148XV UT WOS:000319283100003 ER PT J AU McDonnell, JD Nazarewicz, W Sheikh, JA AF McDonnell, J. D. Nazarewicz, W. Sheikh, J. A. TI Third minima in thorium and uranium isotopes in a self-consistent theory SO PHYSICAL REVIEW C LA English DT Article ID POTENTIAL-ENERGY SURFACES; HUMPED FISSION BARRIER; EXCITATION-ENERGY; SHAPE COEXISTENCE; ACTINIDE NUCLEI; ROTATING NUCLEI; ATOMIC-NUCLEI; GROUND-STATE; PHOTOFISSION; TH-232 AB Background: Well-developed third minima, corresponding to strongly elongated and reflection-asymmetric shapes associated with dimolecular configurations, have been predicted in some non-self-consistent models to impact fission pathways of thorium and uranium isotopes. These predictions have guided the interpretation of resonances seen experimentally. On the other hand, self-consistent calculations consistently predict very shallow potential-energy surfaces in the third minimum region. Purpose: We investigate the interpretation of third-minimum configurations in terms of dimolecular (cluster) states. We study the isentropic potential-energy surfaces of selected even-even thorium and uranium isotopes at several excitation energies. In order to understand the driving effects behind the presence of third minima, we study the interplay between pairing and shell effects. Methods: We use the finite-temperature superfluid nuclear density functional theory. We consider two Skyrme energy density functionals: a traditional functional SkM* and a recent functional UNEDF1 optimized for fission studies. Results: We predict very shallow or no third minima in the potential-energy surfaces of Th-232 and U-232. In the lighter Th and U isotopes with N = 136 and 138, the third minima are better developed. We show that the reflection-asymmetric configurations around the third minimum can be associated with dimolecular states involving the spherical doubly magic Sn-132 and a lighter deformed Zr or Mo fragment. The potential-energy surfaces for Th-228,Th-232 and U-232 at several excitation energies are presented. We also study isotopic chains to demonstrate the evolution of the depth of the third minimum with neutron number. Conclusions: We show that the neutron shell effect that governs the existence of the dimolecular states around the third minimum is consistent with the spherical-to-deformed shape transition in the Zr and Mo isotopes around N = 58. We demonstrate that the depth of the third minimum is sensitive to the excitation energy of the nucleus. In particular, the thermal reduction of pairing, and related enhancement of shell effects, at small excitation energies help to develop deeper third minima. At large excitation energies, shell effects are washed out and third minima disappear altogether. C1 [McDonnell, J. D.; Nazarewicz, W.; Sheikh, J. A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [McDonnell, J. D.; Nazarewicz, W.; Sheikh, J. A.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [McDonnell, J. D.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. [Nazarewicz, W.] Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. [Sheikh, J. A.] Univ Kashmir, Dept Phys, Srinagar 190006, Jammu & Kashmir, India. RP McDonnell, JD (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. FU US Department of Energy [DE-FG02-96ER40963, DE-FG52-09NA29461, DE-AC07-05ID14517, 00091100, DE-SC0008499]; Office of Science of the Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Useful discussions with A. Staszczak, N. Schunck, and M. Warda are gratefully acknowledged. This work was supported by the US Department of Energy under Contracts No. DE-FG02-96ER40963 (University of Tennessee), No. DE-FG52-09NA29461 (the Stewardship Science Academic Alliances program), No. DE-AC07-05ID14517 (NEUP grant subaward 00091100), and No. DE-SC0008499 (NUCLEI SciDAC Collaboration). An award of 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 DE-AC05-00OR22725. This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 86 TC 22 Z9 22 U1 3 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 22 PY 2013 VL 87 IS 5 AR 054327 DI 10.1103/PhysRevC.87.054327 PG 8 WC Physics, Nuclear SC Physics GA 148XV UT WOS:000319283100002 ER PT J AU Nguyen, NB Nunes, FM Thompson, IJ AF Nguyen, N. B. Nunes, F. M. Thompson, I. J. TI Investigation of the triple-alpha reaction in a full three-body approach SO PHYSICAL REVIEW C LA English DT Article ID CORE EXCITATION; COUPLED EQUATIONS; HELIUM IGNITION; C-12; SCATTERING; CONTINUUM; NUCLEI; TRITON; MODEL; RATES AB Background: The triple-alpha reaction is the key to our understanding about the nucleosynthesis and the observed abundance of C-12 in stars. The theory of this process is well established at high temperatures but rather ambiguous in the low temperature regime where measurements are impossible. Purpose: Develop a new three-body method, which tackles properly the scattering boundary condition for three charged particles and takes into account both the resonant and the nonresonant reaction mechanisms on the same footing, to compute the triple-alpha reaction rate at low temperatures. Methods: We combine the R-matrix expansion, the R-matrix propagation method, and the screening technique in the hyperspherical harmonics basis. Results: Both the 2(1)(+) bound state and the 0(2)(+) resonant state in C-12 are well reproduced. We also study the cluster structure of these states. We calculate the triple-alpha reaction rate for T = 0.01-0.1 GK. Conclusions: We obtain the same rate as NACRE for temperatures above 0.07 GK, but the new rate is largely enhanced at lower temperatures (approximate to 10(12) at 0.02 GK). The differences are caused by the direct capture contribution to the reaction when three alpha particles cannot reach the resonant energies. C1 [Nguyen, N. B.; Nunes, F. M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Nguyen, N. B.; Nunes, F. M.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Nguyen, NB (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. EM nguyenn@nscl.msu.edu; nunes@nscl.msu.edu FU National Science Foundation [PHY-0800026]; Department of Energy [DE-FG52-08NA28552, DE-SC0004087]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank E. Brown, R. Cyburt, R. Johnson, A. Mukhamedzhanov, and C. Horowitz for useful discussions during this project. This work was supported by National Science Foundation Grant No. PHY-0800026 and the Department of Energy under Contracts No. DE-FG52-08NA28552 and No. DE-SC0004087. This work was performed in part under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 53 TC 14 Z9 14 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD MAY 22 PY 2013 VL 87 IS 5 AR 054615 DI 10.1103/PhysRevC.87.054615 PG 14 WC Physics, Nuclear SC Physics GA 148XV UT WOS:000319283100005 ER PT J AU Dodin, IY Schmit, PF Rocks, J Fisch, NJ AF Dodin, I. Y. Schmit, P. F. Rocks, J. Fisch, N. J. TI Negative-Mass Instability in Nonlinear Plasma Waves SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRAPPED-PARTICLE INSTABILITY; SIDE-BAND INSTABILITY; FREE-ELECTRON LASER; LARGE-AMPLITUDE WAVE; MONOCHROMATIC WAVE; MAPPING APPROACH; ZAJFMAN TRAP; STABILITY; OSCILLATIONS; DISPERSION AB The negative-mass instability, previously found in ion traps, appears as a distinct regime of the sideband instability in nonlinear plasma waves with trapped particles. As the bounce frequency of these particles decreases with the bounce action, bunching can occur if the action distribution is inverted in trapping islands. In contrast to existing theories that also infer instabilities from the anharmonicity of bounce oscillations, spatial periodicity of the islands turns out to be unimportant, and the particle distribution can be unstable even if it is flat at the resonance. An analytical model is proposed that describes both single traps and periodic nonlinear waves and concisely generalizes the conventional description of the sideband instability in plasma waves. The theoretical results are supported by particle-in-cell simulations carried out for a regime accentuating the negative-mass instability. C1 [Dodin, I. Y.; Fisch, N. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Schmit, P. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Rocks, J.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. RP Dodin, IY (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. FU NNSA SSAA Program through DOE [DE274-FG52-08NA28553]; U.S. DOE [DE-AC02-09CH11466] FX The work was supported by the NNSA SSAA Program through DOE Research Grant No. DE274-FG52-08NA28553 and by the U.S. DOE through Contract No. DE-AC02-09CH11466. NR 80 TC 10 Z9 11 U1 0 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 22 PY 2013 VL 110 IS 21 AR 215006 DI 10.1103/PhysRevLett.110.215006 PG 5 WC Physics, Multidisciplinary SC Physics GA 148WG UT WOS:000319278400011 PM 23745891 ER PT J AU Hinton, JP Koralek, JD Yu, G Motoyama, EM Lu, YM Vishwanath, A Greven, M Orenstein, J AF Hinton, J. P. Koralek, J. D. Yu, G. Motoyama, E. M. Lu, Y. M. Vishwanath, A. Greven, M. Orenstein, J. TI Time-Resolved Optical Reflectivity of the Electron-Doped Nd2-xCexCuO4+delta Cuprate Superconductor: Evidence for an Interplay between Competing Orders SO PHYSICAL REVIEW LETTERS LA English DT Article ID TEMPERATURE SUPERCONDUCTOR; FLUCTUATIONS AB We use pump-probe spectroscopy to measure the photoinduced reflectivity Delta R of the electron-doped cuprate superconductor Nd2-xCexCuO4+delta at a value of x near optimal doping, as a function of time, temperature, and laser fluence. We observe the onset of a negative Delta R signal at T* approximate to 75 K, above the superconducting transition temperature, T-c, of 23 K. The relatively slow decay of Delta R, compared to the analogous signal in hole doped compounds, allows us to resolve time-temperature scaling consistent with critical fluctuations. A positive Delta R signal onsets at T-c that we associate with superconducting order. We find that the two signals are strongly coupled below T-c, in a manner that suggests a repulsive interaction between superconductivity and another fluctuating order. C1 [Hinton, J. P.; Koralek, J. D.; Lu, Y. M.; Vishwanath, A.; Orenstein, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Hinton, J. P.; Lu, Y. M.; Vishwanath, A.; Orenstein, J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Yu, G.; Greven, M.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Motoyama, E. M.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RP Hinton, JP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RI Yu, Guichuan/K-4025-2014; Orenstein, Joseph/I-3451-2015; Lu, Yuan-Ming/D-7554-2017 OI Lu, Yuan-Ming/0000-0001-6275-739X FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF; NSF MRSEC program FX The work in Berkeley was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The crystal growth and characterization work at University of Minnesota was supported by the NSF and the NSF MRSEC program. NR 27 TC 20 Z9 20 U1 2 U2 42 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 22 PY 2013 VL 110 IS 21 AR 217002 DI 10.1103/PhysRevLett.110.217002 PG 5 WC Physics, Multidisciplinary SC Physics GA 148WG UT WOS:000319278400018 PM 23745913 ER PT J AU Vogel, T Li, YW Wust, T Landau, DP AF Vogel, Thomas Li, Ying Wai Wuest, Thomas Landau, David P. TI Generic, Hierarchical Framework for Massively Parallel Wang-Landau Sampling SO PHYSICAL REVIEW LETTERS LA English DT Article ID MONTE-CARLO METHOD; GLOBULAR-PROTEINS; RANDOM-WALK; SPIN-GLASS; SIMULATIONS; ALGORITHM; IMPLEMENTATION AB We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models including spin glasses, the Ising model, and the Potts model, lattice protein adsorption, and the self-assembly process in amphiphilic solutions. Without loss of accuracy, the method gives significant speed-up and potentially scales up to petaflop machines. C1 [Vogel, Thomas; Li, Ying Wai; Landau, David P.] Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. [Li, Ying Wai] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Wuest, Thomas] Swiss Fed Res Inst WSL, CH-8903 Birmensdorf, Switzerland. RP Vogel, T (reprint author), Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. EM thomasvogel@physast.uga.edu RI Wuest, Thomas/I-6192-2012; Vogel, Thomas/A-7570-2014 OI Wuest, Thomas/0000-0001-6901-9277; Vogel, Thomas/0000-0003-0205-3205 FU National Science Foundation [DMR-0810223, OCI-0904685]; Office of Advanced Scientific Computing Research; U.S. Department of Energy; TACC under XSEDE [PHY130009]; UT-Battelle, LLC [De-AC05-00OR22725] FX This work is supported by the National Science Foundation under Grants No. DMR-0810223 and No. OCI-0904685. Y.W. Li was partly sponsored by the Office of Advanced Scientific Computing Research; U.S. Department of Energy. Part of the work was performed at the Oak Ridge Leadership Computing Facility at ORNL, which is managed by UT-Battelle, LLC under Contract No. De-AC05-00OR22725. Supercomputer time was provided by TACC under XSEDE Grant No. PHY130009. NR 30 TC 36 Z9 36 U1 0 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 22 PY 2013 VL 110 IS 21 AR UNSP 210603 DI 10.1103/PhysRevLett.110.210603 PG 5 WC Physics, Multidisciplinary SC Physics GA 148WG UT WOS:000319278400004 PM 23745852 ER PT J AU Wu, YN Zhang, XG Cheng, HP AF Wu, Yu-Ning Zhang, X. -G. Cheng, Hai-Ping TI Giant Molecular Magnetocapacitance SO PHYSICAL REVIEW LETTERS LA English DT Article ID BRILLOUIN-ZONE INTEGRATIONS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; COULOMB-BLOCKADE; CAPACITANCE; TRANSPORT; SPIN; MAGNETIZATION; TRANSISTORS; SPECTRA AB Through investigating the spin-dependent charging energy of nanoscale systems, we introduce a new concept of intrinsic molecular magnetocapacitance (MC). In molecules and nanosize quantum dots that undergo a spin state transition, the MC can be as high as 12%. First-principles calculations demonstrate that in a number of nanoscale systems, the quantum capacitance is highly sensitive to the system spin and charge states. In single molecule junctions, one can exploit molecular MC through the Coulomb blockade effect by modulating the bias voltage and applying an external magnetic field, which turns electron conductance on or off. Detailed analysis on molecular nanomagnet Mn3O(sao)(3)(-)(O2CMe)(H2O)(py)(3) shows a 6% MC with a switching field of similar to 40 T. Its MC can be further enhanced to 9.6% by placing the molecule above a dielectric surface, opening up new avenues for novel nanoscale materials design. Under current experimental conditions, the predicted molecular MC effect can be probed without substantial difficulties. C1 [Wu, Yu-Ning; Cheng, Hai-Ping] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Wu, Yu-Ning; Cheng, Hai-Ping] Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA. [Zhang, X. -G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Cheng, HP (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. EM cheng@qtp.ufl.edu RI Wu, Yuning/M-1518-2016 OI Wu, Yuning/0000-0003-3970-3160 FU ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE; U. S. DOE/BES [FG02-02ER45995] FX This work is supported by U. S. DOE/BES-FG02-02ER45995. A portion of this research was conducted at CNMS sponsored at ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE. The authors also acknowledge NERSC and UF-HPC for computing resources. We thank Dr. Junjie Liu for fruitful discussions. NR 42 TC 7 Z9 7 U1 2 U2 47 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 22 PY 2013 VL 110 IS 21 AR 217205 DI 10.1103/PhysRevLett.110.217205 PG 5 WC Physics, Multidisciplinary SC Physics GA 148WG UT WOS:000319278400021 PM 23745921 ER PT J AU Perkins, NB Chern, GW Brenig, W AF Perkins, Natalia B. Chern, Gia-Wei Brenig, Wolfram TI Raman scattering in a Heisenberg S=1/2 antiferromagnet on the anisotropic triangular lattice SO PHYSICAL REVIEW B LA English DT Article AB We investigate the two-magnon Raman scattering from an anisotropic S = 1/2 triangular Heisenberg antiferromagnet Cs2CuCl4. We find that the Raman response is very sensitive to magnon-magnon interactions and to scattering geometries, a feature that is in remarkable contrast with the polarization-independent Raman signal from the isotropic triangular Heisenberg antiferromagnet. Since a spin-liquid ground state gives rise to a similar rotationally invariant Raman response, our results on the polarization dependence of the scattering spectrum suggest that Raman spectroscopy provides a useful probe, complementary to neutron scattering, of the ground-state properties of Cs2CuCl4, particularly whether the time-reversal symmetry is broken in the ground state. C1 [Perkins, Natalia B.; Chern, Gia-Wei] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Chern, Gia-Wei] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Brenig, Wolfram] Tech Univ Carolo Wilhelmina Braunschweig, Inst Theoret Phys, D-38106 Braunschweig, Germany. RP Perkins, NB (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. FU NSF [DMR-1005932, DMR-0844115]; ICAM; DFG [BR 1084/6-2]; EU [MC-ITN PITN-GA-2009238475] FX N.P. acknowledges the support from NSF Grant No. DMR-1005932. G.W.C. acknowledges the the support of ICAM and NSF Grant No. DMR-0844115. W.B. acknowledges support through DFG BR 1084/6-2 and EU MC-ITN PITN-GA-2009238475. N.P. also thanks the hospitality of the visitors program at MPIPKS, where part of the work on this manuscript has been done. NR 26 TC 5 Z9 5 U1 3 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 22 PY 2013 VL 87 IS 17 AR 174423 DI 10.1103/PhysRevB.87.174423 PG 8 WC Physics, Condensed Matter SC Physics GA 148WW UT WOS:000319280200002 ER PT J AU Stefaniak, EA Darcbuk, L Sapundjiev, D Kips, R Aregbe, Y Van Grieken, R AF Stefaniak, Elzbieta A. Darcbuk, Larysa Sapundjiev, Danislav Kips, Ruth Aregbe, Yetunde Van Grieken, Rene TI New insight into UO2F2 particulate structure by micro-Raman spectroscopy SO JOURNAL OF MOLECULAR STRUCTURE LA English DT Article DE Uranyl fluoride; Uranium particles; UF6 hydrolysis; Micro-Raman spectroscopy; Nuclear safeguards ID URANIUM-OXIDES; PARTICLES; SPECTROMETRY AB Uranyl fluoride particles produced via hydrolysis of uranium hexafluoride have been deposited on different substrates: polished graphite disks, silver foil, stainless steel and gold-coated silicon wafer, and measured with micro-Raman spectroscopy (MRS). All three metallic substrates enhanced the Raman signal delivered by UO2F2 in comparison to graphite. The fundamental stretching of the U-O band appeared at 867 cm(-1) in case of the graphite substrate, while in case of the others it was shifted to lower frequencies (down to 839 cm(-1). A)ll applied metallic substrates showed the expected effect of Raman signal enhancement; however the gold layer appeared to be most effective. Application of new substrates provides more information on the molecular structure of uranyl fluoride precipitation, which is interesting for nuclear safeguards and nuclear environmental analysis. (C) 2013 Elsevier B.V. All rights reserved. C1 [Stefaniak, Elzbieta A.] John Paul II Catholic Univ Lublin, Dept Chem, PL-20718 Lublin, Poland. [Darcbuk, Larysa; Van Grieken, Rene] Univ Antwerp, Dept Chem, B-2610 Antwerp, Belgium. [Kips, Ruth] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Stefaniak, Elzbieta A.; Sapundjiev, Danislav; Aregbe, Yetunde] Commiss European Communities, Joint Res Ctr, Inst Reference Mat & Measurements, B-2440 Geel, Belgium. RP Stefaniak, EA (reprint author), John Paul II Catholic Univ Lublin, Dept Chem, Al Krasnicka 102, PL-20718 Lublin, Poland. EM Elzbieta.Stefaniak@kul.lublin.pl FU U.S. Department of Energy, National Nuclear Security Administration [DEAC52-07NA27344] FX Jan Truyens from IRMM is gratefully acknowledged for optical photos of uranium reference particles presented in this paper. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DEAC52-07NA27344. NR 21 TC 6 Z9 6 U1 5 U2 49 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2860 J9 J MOL STRUCT JI J. Mol. Struct. PD MAY 22 PY 2013 VL 1040 BP 206 EP 212 DI 10.1016/j.molstruc.2013.02.012 PG 7 WC Chemistry, Physical SC Chemistry GA 144SP UT WOS:000318961000027 ER PT J AU Toyli, DM de las Casas, CF Christle, DJ Dobrovitski, VV Awschalom, DD AF Toyli, David M. de las Casas, Charles F. Christle, David J. Dobrovitski, Viatcheslav V. Awschalom, David D. TI Fluorescence thermometry enhanced by the quantum coherence of single spins in diamond SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE spintronics; electron spin resonance; quantum control ID NUCLEAR-MAGNETIC-RESONANCE; NITROGEN-VACANCY CENTERS; ELECTRON-SPIN; NANOSCALE; MICROSCOPY; PROBES; SENSOR; STATE AB We demonstrate fluorescence thermometry techniques with sensitivities approaching 10 mK.Hz(-1/2) based on the spin-dependent photoluminescence of nitrogen vacancy (NV) centers in diamond. These techniques use dynamical decoupling protocols to convert thermally induced shifts in the NV center's spin resonance frequencies into large changes in its fluorescence. By mitigating interactions with nearby nuclear spins and facilitating selective thermal measurements, these protocols enhance the spin coherence times accessible for thermometry by 45-fold, corresponding to a 7-fold improvement in the NV center's temperature sensitivity. Moreover, we demonstrate these techniques can be applied over a broad temperature range and in both finite and near-zero magnetic field environments. This versatility suggests that the quantum coherence of single spins could be practically leveraged for sensitive thermometry in a wide variety of biological and microscale systems. C1 [Toyli, David M.; de las Casas, Charles F.; Christle, David J.; Awschalom, David D.] Univ Calif Santa Barbara, Ctr Spintron & Quantum Computat, Santa Barbara, CA 93106 USA. [Dobrovitski, Viatcheslav V.] US DOE, Ames Lab, Ames, IA 50011 USA. [Awschalom, David D.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Awschalom, DD (reprint author), Univ Calif Santa Barbara, Ctr Spintron & Quantum Computat, Santa Barbara, CA 93106 USA. EM awsch@uchicago.edu FU Air Force Office of Scientific Research; Defense Advanced Research Planning Agency; Department of Energy, Basic Energy Sciences [DE-AC02-07CH11358] FX We thank F. J. Heremans for technical assistance and B. B. Buckley, A. L. Falk, C. G. Yale, and A. L. Yeats for helpful discussion. We acknowledge financial support from the Air Force Office of Scientific Research and the Defense Advanced Research Planning Agency. Work at Ames Laboratory was supported by the Department of Energy, Basic Energy Sciences under Contract DE-AC02-07CH11358. NR 45 TC 105 Z9 106 U1 5 U2 78 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 21 PY 2013 VL 110 IS 21 BP 8417 EP 8421 DI 10.1073/pnas.1306825110 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 163IE UT WOS:000320328700034 PM 23650364 ER PT J AU Suavet, C Weiss, BP Cassata, WS Shuster, DL Gattacceca, J Chan, L Garrick-Bethell, I Head, JW Grove, TL Fuller, MD AF Suavet, Clement Weiss, Benjamin P. Cassata, William S. Shuster, David L. Gattacceca, Jerome Chan, Lindsey Garrick-Bethell, Ian Head, James W. Grove, Timothy L. Fuller, Michael D. TI Persistence and origin of the lunar core dynamo SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE high-K mare basalts; paleomagnetism ID MOON; DRIVEN; CRATER; FIELD; CONSTRAINTS; POPULATIONS; CHRONOLOGY; EVOLUTION; INTERIOR; IMPACTS AB The lifetime of the ancient lunar core dynamo has implications for its power source and the mechanism of field generation. Here, we report analyses of two 3.56-Gy-old mare basalts demonstrating that they were magnetized in a stable and surprisingly intense dynamo magnetic field of at least similar to 13 mu T. These data extend the known lifetime of the lunar dynamo by similar to 160 My and indicate that the field was likely continuously active until well after the final large basin-forming impact. This likely excludes impact-driven changes in rotation rate as the source of the dynamo at this time in lunar history. Rather, our results require a persistent power source like precession of the lunar mantle or a compositional convection dynamo. C1 [Suavet, Clement; Weiss, Benjamin P.; Gattacceca, Jerome; Grove, Timothy L.] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. [Cassata, William S.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94550 USA. [Shuster, David L.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Shuster, David L.] Berkeley Geochronol Ctr, Berkeley, CA 94709 USA. [Gattacceca, Jerome] Univ Aix Marseille 3, Ctr Europeen Rech & Enseignement Geosci Environm, CNRS, F-13545 Aix En Provence, France. [Garrick-Bethell, Ian] Univ Calif Santa Cruz, Dept Earth & Planetary Sci, Santa Cruz, CA 95064 USA. [Garrick-Bethell, Ian] Kyung Hee Univ, Sch Space Res, Yongin 446701, South Korea. [Head, James W.] Brown Univ, Dept Geol Sci, Providence, RI 02912 USA. [Fuller, Michael D.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. RP Suavet, C (reprint author), MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. EM csuavet@mit.edu RI Grove, Timothy/M-9638-2013; Shuster, David/A-4838-2011; OI Grove, Timothy/0000-0003-0628-1969; Suavet, Clement/0000-0001-9970-0864 FU European Union under Research Executive Agency [298355]; Ann and Gordon Getty Foundation; NASA [NNX12AH80G] FX We thank the editor for handling our manuscript and two anonymous reviewers for their comments. We also thank the JSC staff and the Curation and Analysis Planning Team for Extraterrestrial Materials for allocating 10017 and 10049, N. Chatterjee for help with the microprobe analyses, B. Carbone for administrative support, and J. Wisdom and M. Wieczorek for helpful discussions. C. S., B. P. W. and T. L. G. thank the Brown-Massachusetts Institute of Technology (MIT) NASA Lunar Science Institute. B. P. W., M. D. F., and D. L. S. thank the NASA Lunar Advanced Science and Exploration Research Program. B. P. W. and J. G. thank the MIT-France Seed Funds Program, the Projet International de Cooperation Scientifique Program, and the People Programme (Marie Curie Actions) of the European Union under Research Executive Agency Grant 298355. D. L. S. acknowledges the Ann and Gordon Getty Foundation for support. T. L. G. acknowledges support from NASA Grant NNX12AH80G. NR 48 TC 24 Z9 24 U1 2 U2 25 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 21 PY 2013 VL 110 IS 21 BP 8453 EP 8458 DI 10.1073/pnas.1300341110 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 163IE UT WOS:000320328700041 PM 23650386 ER PT J AU Shepherd, DP Li, N Micheva-Viteva, SN Munsky, B Hong-Geller, E Werner, JH AF Shepherd, Douglas P. Li, Nan Micheva-Viteva, Sofiya N. Munsky, Brian Hong-Geller, Elizabeth Werner, James H. TI Counting Small RNA in Pathogenic Bacteria SO ANALYTICAL CHEMISTRY LA English DT Article ID GENE-EXPRESSION; MESSENGER-RNA; TRANSCRIPTION AB Here, we present a modification to single-molecule fluorescence in situ hybridization that enables quantitative detection and analysis of small RNA (sRNA) expressed in bacteria. We show that short (similar to 200 nucleotide) nucleic acid targets can be detected when the background of unbound singly dye-labeled DNA oligomers is reduced through hybridization with a set of complementary DNA oligomers labeled with a fluorescence quencher. By neutralizing the fluorescence from unbound probes, we were able to significantly reduce the number of false positives, allowing for accurate quantification of sRNA levels. Exploiting an automated, mutli-color wide-field microscope and data analysis package, we analyzed the statistics of sRNA expression in thousands of individual bacteria. We found that only a small fraction of either Yersinia pseudotuberculosis or Yersinia pestis bacteria express the small RNAs YSR35 or YSP8, with the copy number typically between 0 and 10 transcripts. The numbers of these RNA are both increased (by a factor of 2.5x for YSR35 and 3.5x for YSP8) upon a temperature shift from 25 to 37 degrees C, suggesting they play a role in pathogenesis. The copy number distribution of sRNAs from bacteria-to-bacteria are well-fit with a bursting model of gene transcription. The ability to directly quantify expression level changes of sRNA in single cells as a function of external stimuli provides key information on the role of sRNA in cellular regulatory networks. C1 [Shepherd, Douglas P.; Werner, James H.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Shepherd, Douglas P.; Munsky, Brian] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Li, Nan; Micheva-Viteva, Sofiya N.; Munsky, Brian; Hong-Geller, Elizabeth] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Munsky, Brian] Los Alamos Natl Lab, Informat Sci Grp, Los Alamos, NM 87545 USA. RP Werner, JH (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM jwerner@lanl.gov RI Munsky, Brian/A-1947-2016; OI Munsky, Brian/0000-0001-6147-7329; Werner, James/0000-0002-7616-8913 FU Los Alamos National Laboratory Directed Research and Development (LDRD); Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was supported through Los Alamos National Laboratory Directed Research and Development (LDRD) and was in part performed at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396). NR 20 TC 12 Z9 12 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD MAY 21 PY 2013 VL 85 IS 10 BP 4938 EP 4943 DI 10.1021/ac303792p PG 6 WC Chemistry, Analytical SC Chemistry GA 154DG UT WOS:000319651100017 PM 23577771 ER PT J AU Wei, L Zhao, X Chen, B Li, HC Xiao, LH Yeung, ES AF Wei, Lin Zhao, Xin Chen, Bo Li, Hongchang Xiao, Lehui Yeung, Edward S. TI Frozen Translational and Rotational Motion of Human Immunodeficiency Virus Transacting Activator of Transcription Peptide-Modified Nanocargo on Neutral Lipid Bilayer SO ANALYTICAL CHEMISTRY LA English DT Article ID INTERNAL-REFLECTION FLUORESCENCE; HIV-1 TAT PEPTIDES; INTRACELLULAR DELIVERY; METABOLIC-INHIBITORS; BROWNIAN-MOTION; CELL BIOLOGY; LIVE CELLS; MEMBRANE; NANOPARTICLES; MICROSCOPY AB With time-resolved high-precision single-particle tracking methodologies, we explored the adsorption and thermal motion of transacting activator of transcription (TAT) peptide-modified nanocargo on a model lipid bilayer in the nonelectrostatic domain. We found that the lateral and rotational motion of TAT peptide-modified nanocargo could be effectively suppressed on the surface of neutral lipid membrane, a feature that cannot be explained by existing hypotheses. A semiquantitative association activation energy analysis revealed that multiple weak bonds were required for the initial adsorption process. As a result, the localized multiple TAT peptides on the surface of the nanocargo can provide a pathway for the creation of a net of peptide lipid complexes (e.g., lipid domain). The dragging forces caused by these complexes effectively confined the thermal motion of the nanocargo on the fluid membrane that cannot be achieved by individual peptides with random spatial and conformational distributions. These interesting findings could provide insightful information for the better understanding of the intracellular internalization mechanism of TAT peptide-modified nanocargo and might shed new light on the development of highly efficient intracellular carriers for site-specific delivery of drugs and genes. C1 [Wei, Lin; Yeung, Edward S.] Hunan Univ, Coll Chem & Chem Engn, State Key Lab Chemo Biosensing & Chemometr, Coll Biol, Changsha 410082, Hunan, Peoples R China. [Wei, Lin; Zhao, Xin; Chen, Bo; Li, Hongchang; Xiao, Lehui] Hunan Normal Univ, Coll Chem & Chem Engn, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ, Changsha 410081, Hunan, Peoples R China. [Yeung, Edward S.] US DOE, Ames Lab, Ames, IA 50011 USA. [Yeung, Edward S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Xiao, LH (reprint author), Hunan Normal Univ, Coll Chem & Chem Engn, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ, Changsha 410081, Hunan, Peoples R China. EM lehuixiao@gmail.com; yeung@ameslab.gov FU NSFC [21205037, 20927005, 21275049]; aid program for science and technology innovation research team in higher education institutions of Hunan Province [2010TT1001]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; U.S. Department of Energy [DEAC02-07CH11358]; program of China Scholarships Council; National "863" Research Foundation [2010AA023001] FX This work was partially supported by NSFC 21205037 and the aid program for science and technology innovation research team in higher education institutions of Hunan Province (2010TT1001). E.S.Y. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract no. DEAC02-07CH11358. L.W. expresses thanks for the partial financial support from the program of China Scholarships Council. B.C. thanks the partial support from the National "863" Research Foundation (2010AA023001), the NSFC (20927005, 21275049). NR 39 TC 9 Z9 9 U1 2 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD MAY 21 PY 2013 VL 85 IS 10 BP 5169 EP 5175 DI 10.1021/ac400503z PG 7 WC Chemistry, Analytical SC Chemistry GA 154DG UT WOS:000319651100046 PM 23581852 ER PT J AU Schmidt, R Tantoyotai, P Fakra, SC Marcus, MA Yang, SI Pickering, IJ Banuelos, GS Hristova, KR Freeman, JL AF Schmidt, Radomir Tantoyotai, Prapakorn Fakra, Sirine C. Marcus, Matthew A. Yang, Soo In Pickering, Ingrid J. Banuelos, Gary S. Hristova, Krassimira R. Freeman, John L. TI Selenium Biotransformations in an Engineered Aquatic Ecosystem for Bioremediation of Agricultural Wastewater via Brine Shrimp Production SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; EPHYDRA-CINEREA JONES; GREAT-SALT-LAKE; DRAINAGE SEDIMENT; SPECIATION; CALIFORNIA; SELENATE; ACCUMULATION; ORGANISMS; TOXICITY AB An engineered aquatic ecosystem was specifically designed to bioremediate selenium (Se), occurring as oxidized inorganic selenate from hypersalinized agricultural drainage water while producing brine shrimp enriched in organic Se and omega-3 and omega-6 fatty acids for use in value added nutraceutical food supplements. Selenate was successfully bioremediated by microalgal metabolism into organic Se (seleno-amino acids) and partially removed via gaseous volatile Se formation. Furthermore, filter feeding brine shrimp that accumulated this organic Se were removed by net harvest. Thriving in this engineered pond system, brine shrimp (Artemia franciscana Kellogg) and brine fly (Ephydridae sp.) have major ecological relevance as important food sources for large populations of waterfowl, breeding, and migratory shore birds. This aquatic ecosystem was an ideal model for study because it mimics trophic interactions in a Se polluted wetland. Inorganic selenate in drainage water was metabolized differently in microalgae, bacteria, and diatoms where it was accumulated and reduced into various inorganic forms (selenite, selenide, or elemental Se) or partially incorporated into organic Se mainly as selenomethionine. Brine shrimp and brine fly larva then bioaccumulated Se from ingesting aquatic microorganisms and further metabolized Se predominately into organic Se forms. Importantly, adult brine flies, which hatched from aquatic larva, bioaccumulated the highest Se concentrations of all organisms tested. C1 [Schmidt, Radomir; Tantoyotai, Prapakorn; Hristova, Krassimira R.] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. [Fakra, Sirine C.; Marcus, Matthew A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yang, Soo In; Pickering, Ingrid J.] Univ Saskatchewan, Dept Geol Sci, Saskatoon, SK S7N 5E2, Canada. [Banuelos, Gary S.] ARS, USDA, SJVASC, Water Management Res Div, Parlier, CA 93648 USA. [Hristova, Krassimira R.] Marquette Univ, Dept Sci Biol, Milwaukee, WI 53233 USA. [Freeman, John L.] Calif State Univ Fresno, Dept Biol, Fresno, CA 93740 USA. [Freeman, John L.] NASA, Ames Res Ctr, Intrinsyx Technol Corp Inc, Space Biosci Div, Moffett Field, CA 94035 USA. RP Hristova, KR (reprint author), Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. EM krassimira.hristova@marquette.edu; John.L.Freeman@NASA.gov RI Pickering, Ingrid/A-4547-2013 FU CSU Fresno California Agricultural Research Initiative; Department of Energy; California Department of Water Resources [08-002104, 07-3]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231]; DOE, Office of Biological and Environmental Research; National Institutes of Health, National Center for Research Resources, Biomedical Technology Program [P41RR001209]; Natural Sciences and Engineering Research Council of Canada; CIHR-THRUST Fellowship FX This research was supported by a CSU Fresno California Agricultural Research Initiative granted to Dr. Gary S. Banuelos and Dr. John L. Freeman, a Department of Energy Beam Time grant to Dr. Gary S. Banuelos and Dr. John L Freeman, and by the California Department of Water Resources under contract number 08-002104, task order 07-3, granted to Dr. Krassimira R. Hristova. The operations of the Advanced Light Source at Lawrence Berkeley National Laboratory were supported by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The Stanford Synchrotron Radiation Lightsource (SSRL), a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility is operated for the U.S. Department of Energy Office of Science by Stanford University. The SSRL Structural Molecular Biology Program is supported by the DOE, Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program (P41RR001209). Ingrid J. Pickering is a Canada Research Chair and Soo In Yang was funded by the Natural Sciences and Engineering Research Council of Canada (Discovery Grant to IJP) and by a CIHR-THRUST Fellowship. NR 59 TC 5 Z9 5 U1 3 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 21 PY 2013 VL 47 IS 10 BP 5057 EP 5065 DI 10.1021/es305001n PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 154WY UT WOS:000319708600013 PM 23621086 ER PT J AU Begg, JD Zavarin, M Zhao, PH Tumey, SJ Powell, B Kersting, AB AF Begg, James D. Zavarin, Mavrik Zhao, Pihong Tumey, Scott J. Powell, Brian Kersting, Annie B. TI Pu(V) and Pu(IV) Sorption to Montmorillonite SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID NEVADA TEST-SITE; MECHANISTIC DESCRIPTION; NEPTUNIUM(V) SORPTION; NA-MONTMORILLONITE; OXIDATION-STATE; NATURAL-WATERS; ZN SORPTION; PLUTONIUM; ADSORPTION; REDUCTION AB Plutonium (Pu) adsorption to and desorption from mineral phases plays a key role in controlling the environmental mobility of Pu. Here we assess whether the adsorption behavior of Pu at concentrations used in typical laboratory studies (>= 10(-10) [Pu] <= 10(-6) M) are representative of adsorption behavior at concentrations measured in natural subsurface waters (generally <10(-12) M). Pu(V) sorption to Na-montmorillonite was examined over a wide range of initial Pu concentrations (10(-8)-10(-18) M). Pu(V) adsorption after 30 days was linear over the wide range of concentrations studied, indicating that Pu sorption behavior from laboratory studies at higher concentrations can be extrapolated to sorption behavior at low, environmentally relevant concentrations. Pu(IV) sorption to montmorillonite was studied at initial concentrations of 10(-6)-10(-11) M and was much faster than Pu(V) sorption over the 30 day equilibration period. However, after one year of equilibration, the extent of Pu(V) adsorption was similar to that observed for Pu(IV) after 30 days. The continued uptake of Pu(V) is attributed to a slow, surface-mediated reduction of Pu(V) to Pu(IV). Comparison between rates of adsorption of Pu(V) to montmorillonite and a range of other minerals (hematite, goethite, magnetite, groutite, corundum, diaspore, and quartz) found that minerals containing significant Fe and Mn (hematite, goethite, magnetite, and groutite) adsorbed Pu(V) faster than those which did not, highlighting the potential importance of minerals with redox couples in increasing the rate of Pu(V) removal from solution. C1 [Begg, James D.; Zavarin, Mavrik; Zhao, Pihong; Tumey, Scott J.; Kersting, Annie B.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA 94550 USA. [Powell, Brian] Clemson Univ, Anderson, SC 29625 USA. RP Begg, JD (reprint author), Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA 94550 USA. EM begg2@llnl.gov RI Powell, Brian /C-7640-2011 OI Powell, Brian /0000-0003-0423-0180 FU Subsurface Biogeochemical Research Program of the U.S. Department of Energy's Office of Biological and Environmental Research; LLNL [DE-AC52-07NA27344] FX We would like to thank Rachel Lindvall for help with ICP-MS analysis and the anonymous reviewers for their constructive criticism which greatly improved this manuscript. This work was supported by the Subsurface Biogeochemical Research Program of the U.S. Department of Energy's Office of Biological and Environmental Research. Prepared by LLNL under Contract DE-AC52-07NA27344. NR 53 TC 23 Z9 23 U1 9 U2 88 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 21 PY 2013 VL 47 IS 10 BP 5146 EP 5153 DI 10.1021/es305257s PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 154WY UT WOS:000319708600023 PM 23614502 ER PT J AU Lu, NX Bevard, T Massoudieh, A Zhang, CY Dohnalkova, AC Zilles, JL Nguyen, TH AF Lu, Nanxi Bevard, Tara Massoudieh, Arash Zhang, Changyong Dohnalkova, Alice C. Zilles, Julie L. Nguyen, Thanh H. TI Flagella-Mediated Differences in Deposition Dynamics for Azotobacter vinelandii in Porous Media SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID COLLOID FILTRATION THEORY; CRYPTOSPORIDIUM-PARVUM OOCYSTS; CLEAN-BED FILTRATION; PHYSICOCHEMICAL FILTRATION; CONTAMINANT TRANSPORT; COLLISION EFFICIENCY; COLLECTOR EFFICIENCY; PARTICLE DEPOSITION; BACTERIAL TRANSPORT; MICROBIAL TRANSPORT AB A multiscale approach was designed to study the effects of flagella on deposition dynamics of Azotobacter vinelandii in porous media, independent of motility. In a radial stagnation point flow cell (RSPF), the deposition rate of a flagellated strain with limited motility, DJ77, was higher than that of a nonflagellated (Fla(-)) strain on quartz. In contrast, Fla(-) strain deposition exceeded that of DJ77 in two-dimensional silicon microfluidic models (micromodels) and in columns packed with glass beads. Both micromodel and column experiments showed decreasing deposition over time, suggesting that approaching cells were blocked from deposition by previously deposited cells. Modeling results showed that blocking became effective for DJ77 strain at lower ionic strengths (1 mM and 10 mM), while for the Fla(-) strain, blocking was similar at all ionic strengths. In late stages of micromodel experiments, ripening effects were also observed, and these appeared earlier for the Fla(-) strain. In RSPF and column experiments, deposition of the flagellated strain was influenced by ionic strength, while ionic strength dependence was not observed for the Fla(-) strain. The observations in all three setups suggested flagella affect deposition dynamics and, in particular, result in greater sensitivity to ionic strength. C1 [Lu, Nanxi; Zilles, Julie L.; Nguyen, Thanh H.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Bevard, Tara; Massoudieh, Arash] Catholic Univ Amer, Dept Civil Engn, Washington, DC 20064 USA. [Zhang, Changyong; Dohnalkova, Alice C.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Nguyen, TH (reprint author), Univ Illinois, Dept Civil & Environm Engn, 205 N Mathews Ave, Urbana, IL 61801 USA. EM thn@illinois.edu RI Massoudieh, Arash/F-1856-2011; Zhang, Changyong/A-8012-2013; OI Massoudieh, Arash/0000-0003-0200-2141; Zilles, Julie/0000-0001-8684-4519 FU NSF [1066152] FX This work was supported by NSF Grant 1066152, and part of the research was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory, a scientific user facility of the U.S. Department of Energy's Office of Biological and Environmental Research and operated by the Pacific Northwest National Laboratory. NR 59 TC 6 Z9 6 U1 1 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 21 PY 2013 VL 47 IS 10 BP 5162 EP 5170 DI 10.1021/es3053398 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 154WY UT WOS:000319708600025 PM 23593962 ER PT J AU Fan, DM Anitori, RP Tebo, BM Tratnyek, PG Pacheco, JSL Kukkadapu, RK Engelhard, MH Bowden, ME Kovarik, L Arey, BW AF Fan, Dimin Anitori, Roberto P. Tebo, Bradley M. Tratnyek, Paul G. Pacheco, Juan S. Lezama Kukkadapu, Ravi K. Engelhard, Mark H. Bowden, Mark E. Kovarik, Libor Arey, Bruce W. TI Reductive Sequestration of Pertechnetate ((TcO4-)-Tc-99) by Nano Zerovalent Iron (nZVI) Transformed by Abiotic Sulfide SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; ZERO-VALENT IRON; PERMEABLE REACTIVE BARRIERS; HYDROGEN-SULFIDE; DISORDERED MACKINAWITE; FE/FES NANOPARTICLES; CRYSTAL-STRUCTURE; REDOX PRODUCTS; METALLIC IRON; TECHNETIUM AB Under anoxic conditions, soluble pertechnetate ((TcO4-)-Tc-99) can be reduced to less soluble TcO2 center dot nH(2)O, but the oxide is highly susceptible to reoxidation. Here we investigate an alternative strategy for remediation of Tc-contaminated groundwater whereby sequestration as Tc sulfide is favored by sulfidic conditions stimulated by nano zerovalent iron (nZVI). nZVI was pre-exposed to increasing concentrations of sulfide in simulated Hanford groundwater for 24 h to mimic the onset of aquifer biotic sulfate reduction. Solid-phase characterizations of the sulfidated nZVI confirmed the formation of nanocrystalline FeS phases, but higher S/Fe ratios (>0.112) did not result in the formation of significantly more FeS. The kinetics of Tc sequestration by these materials showed faster Tc removal rates with increasing S/Fe between 0 and 0.056, but decreasing Tc removal rates with S/Fe > 0.224. The more favorable Tc removal kinetics at low S/Fe could be due to a higher affinity of TcO4- for FeS than iron oxides, and electron microscopy confirmed that the majority of the Tc was associated with FeS phases. The inhibition of Tc removal at high S/Fe appears to have been caused by excess HS-. X-ray absorption spectroscopy revealed that as S/Fe increased, the pathway for Tc(IV) formation shifted from TcO2 center dot nH(2)O to Tc sulfide phases. The most substantial change of Tc speciation occurred at low S/Fe, coinciding with the rapid increase in Tc removal rate. This agreement further confirms the importance of FeS in Tc sequestration. C1 [Fan, Dimin; Anitori, Roberto P.; Tebo, Bradley M.; Tratnyek, Paul G.] Oregon Hlth & Sci Univ, Div Environm & Biomol Syst, Beaverton, OR 97006 USA. [Pacheco, Juan S. Lezama] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Kukkadapu, Ravi K.; Engelhard, Mark H.; Bowden, Mark E.; Kovarik, Libor; Arey, Bruce W.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Tratnyek, PG (reprint author), Oregon Hlth & Sci Univ, Div Environm & Biomol Syst, 20000 NW Walker Rd, Beaverton, OR 97006 USA. EM tratnyek@ebs.ogi.edu RI Kovarik, Libor/L-7139-2016; Tebo, Bradley/A-8432-2017; fan, dimin/D-3200-2017; OI Tebo, Bradley/0000-0002-6301-4325; Engelhard, Mark/0000-0002-5543-0812 FU U.S. Department of Energy [DE-SC0001376]; Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory FX This material is based on work supported by the Subsurface Biogeochemical Research Program of the U.S. Department of Energy, Award DE-SC0001376. This report has not been subject to review by the DOE and therefore does not necessarily reflect agency views and no official endorsements should be inferred. Mossbauer, XPS, mu XRD, SEM, and TEM/EDS were performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. XAS was carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. We thank Alice Dohnalkova and Charles Resch for EM sample preparation, Sung-Woo Lee for preliminary XAS data collection and discussion, Ninian Blackburn for fitting preliminary XAS data, Danielle Jansik and James Szecsody for general discussions, and Wayne Lukens for providing XAS spectra for Tc model compounds and advice regarding the XAS fitting. NR 67 TC 31 Z9 32 U1 13 U2 114 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 21 PY 2013 VL 47 IS 10 BP 5302 EP 5310 DI 10.1021/es304829z PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 154WY UT WOS:000319708600042 PM 23611018 ER PT J AU Sidheswaran, M Chen, WH Chang, A Miller, R Cohn, S Sullivan, D Fisk, WJ Kumagai, K Destaillats, H AF Sidheswaran, Meera Chen, Wenhao Chang, Agatha Miller, Robert Cohn, Sebastian Sullivan, Douglas Fisk, William J. Kumagai, Kazukiyo Destaillats, Hugo TI Formaldehyde Emissions from Ventilation Filters Under Different Relative Humidity Conditions SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SECONDARY POLLUTANTS; OXIDATION PROCESSES; INDOOR-ENVIRONMENT; AIR FILTERS; OZONE; SURFACES; REMOVAL; QUALITY AB Formaldehyde emissions from fiberglass and polyester filters used in building heating, ventilation, and air conditioning (HVAC) systems were measured in bench-scale tests using 10 and 17 cm(2) coupons over 24 to 720 h periods. Experiments were performed at room temperature and four different relative humidity settings (20, 50, 65, and 80% RH). Two different air flow velocities across the filters were explored: 0.013 and 0.5 m/s. Fiberglass filters emitted between 20 and 1000 times more formaldehyde than polyester filters under similar RH and airflow conditions. Emissions increased markedly with increasing humidity, up to 10 mg/h-m(2) at 80% RH. Formaldehyde emissions from fiberglass filters coated with tackifiers (impaction oils) were lower than those from uncoated fiberglass media, suggesting that hydrolysis of other polymeric constituents of the filter matrix, such as adhesives or binders was likely the main formaldehyde source. These laboratory results were further validated by performing a small field study in an unoccupied office. At 80% RH, indoor formaldehyde concentrations increased by 48-64%, from 9-12 mu g/m(3) to 12-20 mu g/m(3), when synthetic filters were replaced with fiberglass filtration media in the HVAC units. Better understanding of the reaction mechanisms and assessing their overall contributions to indoor formaldehyde levels will allow for efficient control of this pollution source. C1 [Sidheswaran, Meera; Cohn, Sebastian; Sullivan, Douglas; Fisk, William J.; Kumagai, Kazukiyo; Destaillats, Hugo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Indoor Environm Grp, Berkeley, CA 94720 USA. [Chen, Wenhao; Chang, Agatha; Miller, Robert; Kumagai, Kazukiyo] Calif Dept Publ Hlth, Indoor Air Qual Sect, Richmond, CA USA. [Chang, Agatha] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. RP Chen, WH (reprint author), Calif Dept Publ Hlth, Indoor Air Qual Sect, Richmond, CA USA. EM Wenhao.Chen@cdph.ca.gov; HDestaillats@lbl.gov FU US Department of Energy laboratory [DE-AC02-05CH11231]; National Institute for Occupational Safety and Health (NIOSH) [5R21 OH008891-02]; California Energy Commission, Public Interest Energy Research Program, Energy Related Environmental Research Program [500-09-049] FX The authors thank Marion Russell and Randy Maddalena for experimental assistance, Lara Gundel, and the anonymous reviewers for their helpful suggestions. LBNL is a US Department of Energy laboratory, operating under Contract DE-AC02-05CH11231. Funding from the National Institute for Occupational Safety and Health (NIOSH, award 5R21 OH008891-02) and the California Energy Commission, Public Interest Energy Research Program, Energy Related Environmental Research Program (award number 500-09-049) is gratefully acknowledged. NR 28 TC 11 Z9 11 U1 1 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 21 PY 2013 VL 47 IS 10 BP 5336 EP 5343 DI 10.1021/es400290p PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 154WY UT WOS:000319708600046 PM 23597095 ER PT J AU Dholabhai, PP Yu, HG AF Dholabhai, Pratik P. Yu, Hua-Gen TI Electronic structure and quantum dynamics of photoinitiated dissociation of O-2 on rutile TiO2 nanocluster SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; EFFECTIVE CORE POTENTIALS; MOLECULAR-OXYGEN; TIO2(110) SURFACE; AB-INITIO; EXCITATION-ENERGIES; REDUCED TIO2(110); ADSORPTION; PHOTOCATALYSIS; VACANCY AB The adsorption and photoinitiated dissociation of molecular oxygen on reduced rutile TiO2 nanocluster have been studied using a hybrid density functional theory (DFT)/time-dependent DFT approach and a time-dependent wavepacket dynamics method. Results show that the most favorable state for O-2 at the bridging row O-vacancy site of TiO2 is O-2(2-) with an orientation parallel to the surface. We find that its dissociation in the electronic ground state involves a spin forbidden intersystem crossing, and therefore has a large barrier along the reaction pathway. However, time-dependent wavepacket calculations reveal that the photoinitiated O-2 dissociation on TiO2 is very fast via a direct mechanism on the excited states. The lifetime of excited O-2 molecules is predicted to be about 266 fs. Non-adiabatic effects among the singlet electronic states are found to play an important role in the O-2 dissociation whereas the spin-orbit effect is negligible. In addition, adsorption of two O-2 molecules at an O-vacancy site shows that the second O-2 molecule can stabilize the system by about 0.22 eV. (C) 2013 AIP Publishing LLC. C1 [Dholabhai, Pratik P.; Yu, Hua-Gen] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Dholabhai, PP (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM pdholabhai@lanl.gov RI Dholabhai, Pratik/A-2366-2015; Yu, Hua-Gen/N-7339-2015 FU Brookhaven National Laboratory [DE-AC02-98CH10886]; (U.S.) Department of Energy (DOE) [DE-AC02-05CH11231]; Division of Chemical Sciences, Office of Basic Energy Sciences FX This work was performed at the Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886, and used resources of the National Energy Research Scientific Computing Center (NERSC) under Contract No. DE-AC02-05CH11231, with the (U.S.) Department of Energy (DOE) and supported by its Division of Chemical Sciences, Office of Basic Energy Sciences. We wish to thank Dr. Gregory E. Hall for critical reading of the paper. NR 78 TC 2 Z9 2 U1 2 U2 46 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194705 DI 10.1063/1.4805000 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600028 PM 23697428 ER PT J AU Kamarchik, E Jasper, AW AF Kamarchik, Eugene Jasper, Ahren W. TI Anharmonic state counts and partition functions for molecules via classical phase space integrals in curvilinear coordinates SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID THERMAL UNIMOLECULAR REACTIONS; POTENTIAL-ENERGY SURFACE; VIBRATIONAL ENERGIES; QUANTUM CALCULATIONS; LOW-PRESSURES; LEVEL SUMS; DENSITIES; ACCURATE; HYDROCARBONS; DYNAMICS AB An algorithm is presented for calculating fully anharmonic vibrational state counts, state densities, and partition functions for molecules using Monte Carlo integration of classical phase space. The algorithm includes numerical evaluations of the elements of the Jacobian and is general enough to allow for sampling in arbitrary curvilinear or rectilinear coordinate systems. Invariance to the choice of coordinate system is demonstrated for vibrational state densities of methane, where we find comparable sampling efficiency when using curvilinear z-matrix and rectilinear Cartesian normal mode coordinates. In agreement with past work, we find that anharmonicity increases the vibrational state density of methane by a factor of similar to 2 at its dissociation threshold. For the vinyl radical, we find a significant (similar to 10x) improvement in sampling efficiency when using curvilinear z-matrix coordinates relative to Cartesian normal mode coordinates. We attribute this improved efficiency, in part, to a more natural curvilinear coordinate description of the double well associated with the H2C-C-H wagging motion. The anharmonicity correction for the vinyl radical state density is similar to 1.4 at its dissociation threshold. Finally, we demonstrate that with trivial parallelizations of the Monte Carlo step, tractable calculations can be made for the vinyl radical using direct ab initio potential energy surface evaluations and a composite QCISD(T)/MP2 method. (C) 2013 AIP Publishing LLC. C1 [Kamarchik, Eugene; Jasper, Ahren W.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Kamarchik, E (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM ekamarc@sandia.gov; ajasper@sandia.gov RI Jasper, Ahren/A-5292-2011 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC04-94-AL85000] FX Financial support from the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (Grant No. DE-AC04-94-AL85000) is gratefully acknowledged. NR 49 TC 8 Z9 8 U1 0 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194109 DI 10.1063/1.4804420 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600011 PM 23697411 ER PT J AU Rizzi, F Jones, RE Debusschere, BJ Knio, OM AF Rizzi, F. Jones, R. E. Debusschere, B. J. Knio, O. M. TI Uncertainty quantification in MD simulations of concentration driven ionic flow through a silica nanopore. I. Sensitivity to physical parameters of the pore SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; GRAND-CANONICAL ENSEMBLE; MONTE-CARLO SIMULATIONS; FORCE-FIELD PARAMETERS; LENNARD-JONES FLUIDS; AQUEOUS-SOLUTIONS; POTENTIAL FUNCTIONS; BAYESIAN-INFERENCE; CONTROLLED WATER; ADAPTIVE MCMC AB In this article, uncertainty quantification is applied to molecular dynamics (MD) simulations of concentration driven ionic flow through a silica nanopore. We consider a silica pore model connecting two reservoirs containing a solution of sodium (Na+) and chloride (Cl-) ions in water. An ad hoc concentration control algorithm is developed to simulate a concentration driven counter flow of ions through the pore, with the ionic flux being the main observable extracted from the MD system. We explore the sensitivity of the system to two physical parameters of the pore, namely, the pore diameter and the gating charge. First we conduct a quantitative analysis of the impact of the pore diameter on the ionic flux, and interpret the results in terms of the interplay between size effects and ion mobility. Second, we analyze the effect of gating charge by treating the charge density over the pore surface as an uncertain parameter in a forward propagation study. Polynomial chaos expansions and Bayesian inference are exploited to isolate the effect of intrinsic noise and quantify the impact of parametric uncertainty on the MD predictions. We highlight the challenges arising from the heterogeneous nature of the system, given the several components involved, and from the substantial effect of the intrinsic thermal noise. (C) 2013 AIP Publishing LLC. C1 [Rizzi, F.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. [Jones, R. E.; Debusschere, B. J.] Sandia Natl Labs, Livermore, CA 94550 USA. [Knio, O. M.] Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. RP Rizzi, F (reprint author), Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. EM omar.knio@duke.edu FU U.S. Department of Energy Office of Science through the Applied Mathematics program in the Office of Advanced Scientific Computing Research (ASCR); Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy Office of Science through the Applied Mathematics program in the Office of Advanced Scientific Computing Research (ASCR) and the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 82 TC 12 Z9 13 U1 0 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194104 DI 10.1063/1.4804666 PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600006 PM 23697406 ER PT J AU Rizzi, F Jones, RE Debusschere, BJ Knio, OM AF Rizzi, F. Jones, R. E. Debusschere, B. J. Knio, O. M. TI Uncertainty quantification in MD simulations of concentration driven ionic flow through a silica nanopore. II. Uncertain potential parameters SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID STATISTICAL-MECHANICAL THEORY; STOCHASTIC PROJECTION METHOD; MONTE-CARLO ALGORITHMS; IRREVERSIBLE-PROCESSES; FORCE-FIELD; COMPUTER-SIMULATIONS; RECIPROCAL RELATIONS; MOLECULAR-DYNAMICS; BAYESIAN-INFERENCE; FINITE-ELEMENTS AB This article extends the uncertainty quantification analysis introduced in Paper I for molecular dynamics (MD) simulations of concentration driven ionic flow through a silica nanopore. Attention is now focused on characterizing, for a fixed pore diameter of D = 21 angstrom, the sensitivity of the system to the Lennard-Jones energy parameters, Na-epsilon(+) and Cl-epsilon(-), defining the depth of the potential well for the two ions Na+ and Cl-, respectively. A forward propagation analysis is applied to map the uncertainty in these parameters to the MD predictions of the ionic fluxes. Polynomial chaos expansions and Bayesian inference are exploited to isolate the effect of the intrinsic noise, stemming from thermal fluctuations of the atoms, and properly quantify the impact of parametric uncertainty on the target MD predictions. A Bayes factor analysis is then used to determine the most suitable regression model to represent the MD noisy data. The study shows that the response surface of the Na+ conductance can be effectively inferred despite the substantial noise level, whereas the noise partially hides the underlying trend in the Cl- conductance data over the studied range. Finally, the dependence of the conductances on the uncertain potential parameters is analyzed in terms of correlations with key bulk transport coefficients, namely, viscosity and collective diffusivities, computed using Green-Kubo time correlations. (C) 2013 AIP Publishing LLC. C1 [Rizzi, F.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. [Jones, R. E.; Debusschere, B. J.] Sandia Natl Labs, Livermore, CA 94550 USA. [Knio, O. M.] Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. RP Rizzi, F (reprint author), Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. EM omar.knio@duke.edu FU U.S. Department of Energy Office of Science through the Applied Mathematics program in the Office of Advanced Scientific Computing Research (ASCR); Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy Office of Science through the Applied Mathematics program in the Office of Advanced Scientific Computing Research (ASCR) and the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 47 TC 10 Z9 10 U1 1 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194105 DI 10.1063/1.4804669 PG 16 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600007 PM 23697407 ER PT J AU Roach, DJ Dou, SC Colby, RH Mueller, KT AF Roach, David J. Dou, Shichen Colby, Ralph H. Mueller, Karl T. TI Solid state nuclear magnetic resonance investigation of polymer backbone dynamics in poly(ethylene oxide) based lithium and sodium polyether-ester-sulfonate ionomers SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SINGLE-ION CONDUCTORS; C-13 NMR-SPECTROSCOPY; CROSS-POLARIZATION; CHAIN DYNAMICS; CP/MAS NMR; ELECTROLYTES; BLENDS; MOTION; POLY(VINYLETHYLENE); POLY(VINYLPHENOL) AB Polymer backbone dynamics of single ion conducting poly(ethylene oxide) (PEO)-based ionomer samples with low glass transition temperatures (T-g) have been investigated using solid-state nuclear magnetic resonance. Experiments detecting C-13 with H-1 decoupling under magic angle spinning (MAS) conditions identified the different components of the polymer backbone (PEO spacer and isophthalate groups) and their relative mobilities for a suite of lithium- and sodium-containing ionomer samples with varying cation contents. Variable temperature (203-373 K) H-1-C-13 cross-polarization MAS (CP-MAS) experiments also provided qualitative assessment of the differences in the motions of the polymer backbone components as a function of cation content and identity. Each of the main backbone components exhibit distinct motions, following the trends expected for motional characteristics based on earlier Quasi Elastic Neutron Scattering and H-1 spin-lattice relaxation rate measurements. Previous H-1 and Li-7 spin-lattice relaxation measurements focused on both the polymer backbone and cation motion on the nanosecond timescale. The studies presented here assess the slower timescale motion of the polymer backbone allowing for a more comprehensive understanding of the polymer dynamics. The temperature dependences of C-13 linewidths were used to both qualitatively and quantitatively examine the effects of cation content and identity on PEO spacer mobility. Variable contact time H-1-C-13 CP-MAS experiments were used to further assess the motions of the polymer backbone on the microsecond timescale. The motion of the PEO spacer, reported via the rate of magnetization transfer from H-1 to C-13 nuclei, becomes similar for T greater than or similar to 1.1 T-g in all ionic samples, indicating that at similar elevated reduced temperatures the motions of the polymer backbones on the microsecond timescale become insensitive to ion interactions. These results present an improved picture, beyond those of previous findings, for the dependence of backbone dynamics on cation density (and here, cation identity as well) in these amorphous PEO-based ionomer systems. (C) 2013 AIP Publishing LLC. C1 [Roach, David J.; Mueller, Karl T.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Dou, Shichen; Colby, Ralph H.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Mueller, Karl T.] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Mueller, KT (reprint author), Penn State Univ, Dept Chem, University Pk, PA 16802 USA. EM ktm2@psu.edu RI Mueller, Karl/A-3637-2010 FU Department of Energy, Office of Basic Energy Sciences [DEFG02-07ER46409] FX This work is supported by the Department of Energy, Office of Basic Energy Sciences, under Grant No. DEFG02-07ER46409. The authors thank Greg Tudryn for dialysis of ionomer samples. We also thank Alan Benesi, Karen Winey, Janna Maranas, James Runt, and Nikki Lafemina for helpful discussions. NR 34 TC 7 Z9 7 U1 0 U2 60 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194907 DI 10.1063/1.4804654 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600041 PM 23697441 ER PT J AU White, CE Kearley, GJ Provis, JL Riley, DP AF White, Claire E. Kearley, Gordon J. Provis, John L. Riley, Daniel P. TI Structure of kaolinite and influence of stacking faults: Reconciling theory and experiment using inelastic neutron scattering analysis SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HIGHLY ORDERED KAOLINITE; TOTAL-ENERGY CALCULATIONS; POWDER DIFFRACTION DATA; WAVE BASIS-SET; RAMAN-SPECTROSCOPY; CRYSTAL-STRUCTURE; GROUP MINERALS; RIETVELD REFINEMENT; MOLECULAR-DYNAMICS; POTASSIUM-ACETATE AB The structure of kaolinite at the atomic level, including the effect of stacking faults, is investigated using inelastic neutron scattering (INS) spectroscopy and density functional theory (DFT) calculations. The vibrational dynamics of the standard crystal structure of kaolinite, calculated using DFT (VASP) with normal mode analysis, gives good agreement with the experimental INS data except for distinct discrepancies, especially for the low frequency modes (200 - 400 cm(-1)). By generating several types of stacking faults (shifts in the a, b plane for one kaolinite layer relative to the adjacent layer), it is seen that these low frequency modes are affected, specifically through the emergence of longer hydrogen bonds (O-H center dot center dot center dot O) in one of the models corresponding to a stacking fault of -0.3151a - 0.3151b. The small residual disagreement between observed and calculated INS is assigned to quantum effects (which are not taken into account in the DFT calculations), in the form of translational tunneling of the proton in the hydrogen bonds, which lead to a softening of the low frequency modes. DFT-based molecular dynamics simulations show that anharmonicity does not play an important role in the structural dynamics of kaolinite. (C) 2013 AIP Publishing LLC. C1 [White, Claire E.] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [White, Claire E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [White, Claire E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [White, Claire E.; Provis, John L.] Univ Melbourne, Dept Chem & Biomol Engn, Parkville, Vic 3052, Australia. [Kearley, Gordon J.] Australian Nucl Sci & Technol Org, Bragg Inst, Lucas Heights, NSW, Australia. [Provis, John L.] Univ Sheffield, Dept Mat Sci & Engn, Sheffield, S Yorkshire, England. [Riley, Daniel P.] Australian Nucl Sci & Technol Org, Inst Mat Engn, Lucas Heights, NSW, Australia. [Riley, Daniel P.] Univ Melbourne, Dept Mech Engn, Parkville, Vic 3052, Australia. RP White, CE (reprint author), Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, POB 1663, Los Alamos, NM 87545 USA. EM whitece@princeton.edu RI White, Claire/A-1722-2011; OI White, Claire/0000-0002-4800-7960; Provis, John/0000-0003-3372-8922 FU Los Alamos National Laboratory; (U.S.) Department of Energy (DOE) [DE-AC52-06NA25396]; (U. S.) Department of Energy through the LANL/LDRD Program; Australian Research Council (ARC); Australian Research Council (ARC) (Particulate Fluids Processing Centre, a Special Research Centre of the ARC); Centre for Sustainable Resource Processing via the Geopolymer Alliance; ANSTO Access FX The authors would like to thank Dr. Stewart Parker and Dr. Timmy Ramirez-Cuesta for assistance with sample loading, data acquisition, and data reduction on TOSCA at ISIS, Rutherford Appleton Laboratory, UK, and Dr. Neil J. Henson for assistance and valuable discussions regarding VASP. The authors acknowledge the use of Los Alamos National Laboratory Institutional Computing resources for the calculations performed in this work. The participation of C. E. W. in this work was supported by Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under (U.S.) Department of Energy (DOE) Contract No. DE-AC52-06NA25396. Furthermore, C. E. W. gratefully acknowledges the support of the (U. S.) Department of Energy through the LANL/LDRD Program. This work was funded in part by the Australian Research Council (ARC) (including some funding via the Particulate Fluids Processing Centre, a Special Research Centre of the ARC), and in part by a studentship paid to Claire White by the Centre for Sustainable Resource Processing via the Geopolymer Alliance. Travel funding for the experiments at ISIS was provided through the ANSTO Access to Major Research Facilities Program. NR 48 TC 5 Z9 5 U1 3 U2 58 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194501 DI 10.1063/1.4804306 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600022 PM 23697422 ER PT J AU Whitmer, JK Joshi, AA Roberts, TF de Pablo, JJ AF Whitmer, Jonathan K. Joshi, Abhijeet A. Roberts, Tyler F. de Pablo, Juan J. TI Liquid-crystal mediated nanoparticle interactions and gel formation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID GAY-BERNE FLUID; MOLECULAR-DYNAMICS SIMULATIONS; CELLULAR SOLID BEHAVIOR; ISOTROPIC-PHASE; COLLOIDAL DISPERSIONS; TOPOLOGICAL DEFECTS; NETWORK FORMATION; NEMATIC COLLOIDS; MEAN FORCE; PARTICLES AB Colloidal particles embedded within nematic liquid crystals exhibit strong anisotropic interactions arising from preferential orientation of nematogens near the particle surface. Such interactions are conducive to forming branched, gel-like aggregates. Anchoring effects also induce interactions between colloids dispersed in the isotropic liquid phase, through the interactions of the pre-nematic wetting layers. Here we utilize computer simulation using coarse-grained mesogens to perform a molecular-level calculation of the potential of mean force between two embedded nanoparticles as a function of anchoring for a set of solvent conditions straddling the isotropic-nematic transition. We observe that strong, nontrivial interactions can be induced between particles dispersed in mesogenic solvent, and explore how such interactions might be utilized to induce a gel state in the isotropic and nematic phases. (C) 2013 AIP Publishing LLC. C1 [Whitmer, Jonathan K.; Joshi, Abhijeet A.; Roberts, Tyler F.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [de Pablo, Juan J.] Argonne Natl Lab, Argonne, IL 60349 USA. RP Whitmer, JK (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM depablo@uchicago.edu FU Department of Energy, Basic Energy Sciences, Biomaterials Program [DE-SC0004025]; University of Wisconsin Materials Research and Engineering Center (UW-MRSEC) under National Science Foundation [DMR-1121288]; NHGRI [T32HG002760] FX This work was supported by the Department of Energy, Basic Energy Sciences, Biomaterials Program under Grant No. DE-SC0004025. The codes employed in this work were developed with support from the University of Wisconsin Materials Research and Engineering Center (UW-MRSEC) under National Science Foundation Grant No. DMR-1121288. J.K.W. and T.F.R. were partially supported by a NHGRI training grant to the Genomic Sciences Training Program, T32HG002760. We gratefully acknowledge the computing resources provided on "Fusion," a 320-node computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 79 TC 6 Z9 6 U1 6 U2 77 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2013 VL 138 IS 19 AR 194903 DI 10.1063/1.4802774 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AY UT WOS:000319291600037 PM 23697437 ER PT J AU Ogunyankin, MO Huber, DL Sasaki, DY Longo, ML AF Ogunyankin, Maria O. Huber, Dale L. Sasaki, Darryl Y. Longo, Marjorie L. TI Nanoscale Patterning of Membrane-Bound Proteins Formed through Curvature-Induced Partitioning of Phase-Specific Receptor Lipids SO LANGMUIR LA English DT Article ID SUPPORTED BILAYERS; MODEL MEMBRANES; DOMAIN; COORDINATION; MANIPULATION; MORPHOLOGY; MONOLAYERS; INTERFACE; LIGHT AB This work describes a technique for forming high-density arrays and patterns of membrane-bound proteins through binding to a curvature-organized compositional pattern of metal-chelating lipids (Cu2+ -DOIDA or Cu2+ -DSIDA). In this bottom-up approach, the underlying support is an e-beam formed, square lattice pattern of hemispheres. This curvature pattern sorts Cu2+ -DOIDA to the 200 nm hemispherical lattice sites of a 600 nm x 600 nm unit cell in L-d - L-o phase separated lipid multibilayers. Binding of histidine-tagged green fluorescent protein (His-GFP) creates a high density array of His-GFP-bound pixels localized to the square lattice sites. In comparison, the negative pixel pattern is created by sorting Cu2+-DSIDA in L-d - L-beta' phase separated lipid multibilayers to the flat grid between the lattice sites followed by binding to His-GFP. Lattice defects in the His-GFP pattern lead to interesting features such as pattern circularity. We also observe defect-free arrays of His-GFP that demonstrate perfect arrays can be formed by this method suggesting the possibility of using this approach for the localization of various active molecules to form protein, DNA, or optically active molecular arrays. C1 [Ogunyankin, Maria O.; Longo, Marjorie L.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Huber, Dale L.] Sandia Natl Labs, Albuquerque, NM 87111 USA. [Sasaki, Darryl Y.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Sasaki, DY (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM dysasak@sandia.gov; mllongo@ucdavis.edu RI Huber, Dale/A-6006-2008 OI Huber, Dale/0000-0001-6872-8469 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering. 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 36 TC 5 Z9 5 U1 2 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAY 21 PY 2013 VL 29 IS 20 BP 6109 EP 6115 DI 10.1021/la401011d PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 154WW UT WOS:000319708400021 PM 23642033 ER PT J AU Ichikawa, T Moller, P Sierk, AJ AF Ichikawa, Takatoshi Moeller, Peter Sierk, Arnold J. TI Character and prevalence of third minima in actinide fission barriers SO PHYSICAL REVIEW C LA English DT Article ID ROTATIONAL BANDS; NUCLEI; DEFORMATION AB The double-humped structure of many actinide fission barriers is well established both experimentally and theoretically. There is also evidence, both experimental and theoretical, that some actinide nuclei have barriers with a third minimum, outside the second, fission-isomeric minimum. We perform a large-scale, systematic calculation of actinide fission barriers to identify which actinide nuclei exhibit third minima. We find that only a relatively few nuclei accessible to experiment exhibit third minima in their barriers: approximately nuclei with proton number Z in the range 88 <= Z <= 94 and nucleon number A in the range 230 <= A <= 236. We find that the third minimum is less than 1 MeV deep for light Th and U isotopes. This is consistent with some previous experimental and theoretical results, but it differs from some others. We discuss possible origins of these incompatible results and what are the most realistic predictions of where third minima are observable. C1 [Ichikawa, Takatoshi] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. [Moeller, Peter; Sierk, Arnold J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Ichikawa, T (reprint author), Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. OI Moller, Peter/0000-0002-5848-3565 FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396, DE-FG02-06ER41407]; MEXT's HPCI Strategic Program FX This work was carried out 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 and by travel grants for PM to JUSTIPEN under Grant No. DE-FG02-06ER41407 (University of Tennessee). Part of this research has been funded by MEXT's HPCI Strategic Program. NR 21 TC 11 Z9 11 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 21 PY 2013 VL 87 IS 5 AR 054326 DI 10.1103/PhysRevC.87.054326 PG 4 WC Physics, Nuclear SC Physics GA 148XQ UT WOS:000319282600002 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Aguilo, E Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hammer, J Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Pernicka, M Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Waltenberger, W Walzel, G Widl, E Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Selvaggi, M Staykova, Z Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Suarez, RG Kalogeropoulos, A Maes, M Olbrechts, A Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Clerbaux, B De Lentdecker, G Dero, V Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Reis, T Thomas, L Vander Marcken, G Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Cimmino, A Costantini, S Garcia, G Grunewald, M Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Strobbe, N Thyssen, F Tytgat, M Verwilligen, P Walsh, S Yazgan, E Zaganidis, N Basegmez, S Bruno, G Castello, R Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Schul, N Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Damiao, DD Martins, T Pol, ME Souza, MHG Alda, WL Carvalho, W Custodio, A Da Costa, EM Martins, CD De Souza, SF Figueiredo, DM Mundim, L Nogima, H Oguri, V Da Silva, WLP Santoro, A Jorge, LS Sznajder, A Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, F Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Zang, J Zhang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, W Liu, S Mao, Y Qian, SJ Teng, H Wang, D Zhang, L Zou, W Avila, C Gomez, JP Moreno, BG Oliveros, AFO Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Morovic, S Attikis, A Galanti, M Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Assran, Y Elgammal, S Kamel, AE Khalil, S Mahmoud, MA Radi, A Kadastik, M Muntel, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Heikkinen, A Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Ungaro, D Wendland, L Banzuzi, K Karjalainen, A Korpela, A Tuuva, T Besancon, M Choudhury, S Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Millischer, L Nayak, A Rander, J Rosowsky, A Shreyber, I Titov, M Baffioni, S Beaudette, F Benhabib, L Bianchini, L Bluj, M Broutin, C Busson, P Charlot, C Daci, N Dahms, T Dobrzynski, L de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Naranjo, IN Nguyen, M Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Bodin, D Brom, JM Cardaci, M Chabert, EC Collard, C Conte, E Drouhin, F Ferro, C Fontaine, JC Gele, D Goerlach, U Juillot, P Le Bihan, AC Van Hove, P Fassi, F Mercier, D Beauceron, S Beaupere, N Bondu, O Boudoul, G Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Perries, S Sgandurra, L Sordini, V Tschudi, Y Verdier, P Viret, S Tsamalaidze, Z Anagnostou, G Autermann, C Beranek, S Edelhoff, M Feld, L Heracleous, N Hindrichs, O Jussen, R Klein, K Merz, J Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Wittmer, B Zhukov, V Ata, M Caudron, J Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Guth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Weber, M Bontenackels, M Cherepanov, V Erdogan, Y Flugge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Lingemann, J Nowack, A Perchalla, L Pooth, O Sauerland, P Stahl, A Martin, MA Behr, J Behrenhoff, W Behrens, U Bergholz, M Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Castro, E Costanza, F Dammann, D Pardos, CD Eckerlin, G Eckstein, D Flucke, G Geiser, A Glushkov, I Gunnellini, P Habib, S Hauk, J Hellwig, G Jung, H Kasemann, M Katsas, P Kleinwort, C Kluge, H Knutsson, A Kramer, M Krucker, D Kuznetsova, E Lange, W Lohmann, W Lutz, B Mankel, R Marfin, I 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CA CMS Collaboration TI Search for fractionally charged particles in pp collisions at root s=7 TeV SO PHYSICAL REVIEW D LA English DT Article AB A search is presented for free heavy long-lived fractionally charged particles produced in pp collisions at root s = 7 TeV. The data sample was recorded by the CMS detector at the LHC and corresponds to an integrated luminosity of 5.0 fb(-1). Candidate fractionally charged particles are identified by selecting tracks with associated low charge measurements in the silicon tracking detector. Observations are found to be consistent with expectations for background processes. The results of the search are used to set upper limits on the cross section for pair production of fractionally charged, massive spin-1/2 particles that are neutral under SU(3)(C) and SU(2)(L). We exclude at 95% confidence level such particles with electric charge +/- 2e/3 with masses below 310 GeV, and those with charge +/- e/3 with masses below 140 GeV. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Aguilo, E.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. M.; Hammer, J.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knuenz, V.; Krammer, M.; Kraetschmer, I.; Liko, D.; Mikulec, I.; Pernicka, M.; Rahbaran, B.; Rohringer, C.; Rohringer, H.; Schoefbeck, R.; Strauss, J.; Taurok, A.; Waltenberger, W.; Walzel, G.; Widl, E.; Wulz, C. -E.] Inst Hochenergiephys OeAW, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.] Natl Ctr Particle & High Energy Phys, Minsk, Byelarus. [Bansal, M.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Luyckx, S.; Mucibello, L.; Ochesanu, S.; Roland, B.; Rougny, R.; Selvaggi, M.; Staykova, Z.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.] Univ Antwerp, B-2020 Antwerp, Belgium. [Blekman, F.; Blyweert, S.; D'Hondt, J.; Suarez, R. Gonzalez; Kalogeropoulos, A.; Maes, M.; Olbrechts, A.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.] Vrije Univ Brussel, Brussels, Belgium. [Clerbaux, B.; De Lentdecker, G.; Dero, V.; Gay, A. P. R.; Hreus, T.; Leonard, A.; Marage, P. E.; Mohammadi, A.; Reis, T.; Thomas, L.; Vander Marcken, G.; Vander Velde, C.; Vanlaer, P.; Wang, J.] Univ Libre Brussels, Brussels, Belgium. [Adler, V.; Beernaert, K.; Cimmino, A.; Costantini, S.; Garcia, G.; Grunewald, M.; Klein, B.; Lellouch, J.; Marinov, A.; Mccartin, J.; Rios, A. A. Ocampo; Ryckbosch, D.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Verwilligen, P.; Walsh, S.; Yazgan, E.; Zaganidis, N.] Univ Ghent, B-9000 Ghent, Belgium. [Basegmez, S.; Bruno, G.; Castello, R.; Ceard, L.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Lemaitre, V.; Liao, J.; Militaru, O.; Nuttens, C.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Schul, N.; Garcia, J. M. Vizan] Catholic Univ Louvain, B-1348 Louvain, Belgium. [Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.] Univ Mons, B-7000 Mons, Belgium. [Alves, G. A.; Correa Martins Junior, M.; De Jesus Damiao, D.; Martins, T.; Pol, M. E.; Souza, M. H. G.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Alda Junior, W. L.; Carvalho, W.; Custodio, A.; Da Costa, E. M.; De Oliveira Martins, C.; Fonseca De Souza, S.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Oguri, V.; Prado Da Silva, W. L.; Santoro, A.; Soares Jorge, L.; Sznajder, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Anjos, T. S.; Bernardes, C. A.; Dias, F. A.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Lagana, C.; Marinho, F.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Tcholakov, V.; Trayanov, R.; Vutova, M.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Dimitrov, A.; Hadjiiska, R.; Kozhuharov, V.; Litov, L.; Pavlov, B.; Petkov, P.] Univ Sofia, BU-1126 Sofia, Bulgaria. [Wang, J.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Meng, X.; Tao, J.; Wang, X.; Wang, Z.; Xiao, H.; Xu, M.; Zang, J.; Zhang, Z.] Inst High Energy Phys, Beijing 100039, Peoples R China. [Asawatangtrakuldee, C.; Ban, Y.; Guo, Y.; Li, W.; Liu, S.; Mao, Y.; Qian, S. J.; Teng, H.; Wang, D.; Zhang, L.; Zou, W.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Avila, C.; Gomez, J. P.; Moreno, B. Gomez; Oliveros, A. F. Osorio; Sanabria, J. C.] Univ Los Andes, Bogota, Colombia. [Godinovic, N.; Lelas, D.; Plestina, R.; Polic, D.; Puljak, I.] Tech Univ Split, Split, Croatia. [Antunovic, Z.; Kovac, M.] Univ Split, Split, Croatia. [Brigljevic, V.; Duric, S.; Kadija, K.; Luetic, J.; Morovic, S.] Rudjer Boskovic Inst, Zagreb, Croatia. [Attikis, A.; Galanti, M.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.] Univ Cyprus, Nicosia, Cyprus. [Finger, M.; Finger, M., Jr.] Charles Univ Prague, Prague, Czech Republic. [Assran, Y.; Elgammal, S.; Kamel, A. Ellithi; Khalil, S.; Mahmoud, M. A.; Radi, A.] Egyptian Network High Energy Phys, Acad Sci Res & Technol Arab Republ Egypt, Cairo, Egypt. [Giammanco, A.; Kadastik, M.; Muentel, M.; Raidal, M.; Rebane, L.; Tiko, A.] NICPB, Tallinn, Estonia. [Eerola, P.; Fedi, G.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Harkonen, J.; Heikkinen, A.; Karimaki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Maenpaa, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Ungaro, D.; Wendland, L.] Helsinki Inst Phys, Helsinki, Finland. [Banzuzi, K.; Karjalainen, A.; Korpela, A.; Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Besancon, M.; Choudhury, S.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Millischer, L.; Nayak, A.; Rander, J.; Rosowsky, A.; Shreyber, I.; Titov, M.] CEA Saclay, DSM IRFU, F-91191 Gif Sur Yvette, France. [Plestina, R.; Baffioni, S.; Beaudette, F.; Benhabib, L.; Bianchini, L.; Bluj, M.; Broutin, C.; Busson, P.; Charlot, C.; Daci, N.; Dahms, T.; Dobrzynski, L.; de Cassagnac, R. Granier; Haguenauer, M.; Mine, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Paganini, P.; Sabes, D.; Salerno, R.; Sirois, Y.; Veelken, C.; Zabi, A.] Ecole Polytech, CNRS, Lab Leprince Ringuet, IN2P3, F-91128 Palaiseau, France. [Agram, J. -L.; Andrea, J.; Bloch, D.; Bodin, D.; Brom, J. -M.; Cardaci, M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Ferro, C.; Fontaine, J. -C.; Gele, D.; Goerlach, U.; Juillot, P.; Le Bihan, A. -C.; Van Hove, P.] Univ Haute Alsace Mulhouse, Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, CNRS IN2P3, Strasbourg, France. [Fassi, F.; Mercier, D.] Ctr Calcul, Inst Natl Phys Nucl & Phys Particules, CNRS IN2P3, Villeurbanne, France. [Beauceron, S.; Beaupere, N.; Bondu, O.; Boudoul, G.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sgandurra, L.; Sordini, V.; Tschudi, Y.; Verdier, P.; Viret, S.] Univ Lyon 1, CNRS, IN2P3, Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. [Tsamalaidze, Z.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, GE-380086 Tbilisi, Rep of Georgia. [Anagnostou, G.; Autermann, C.; Beranek, S.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Jussen, R.; Klein, K.; Merz, J.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany. [Ata, M.; Caudron, J.; Dietz-Laursonn, E.; Duchardt, D.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Weber, M.; Erdmann, W.] Rhein Westfal TH Aachen, Phys Inst A3, Aachen, Germany. [Bontenackels, M.; Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Perchalla, L.; Pooth, O.; Sauerland, P.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B3, Aachen, Germany. [Martin, M. Aldaya; Behr, J.; Behrenhoff, W.; Behrens, U.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Castro, E.; Costanza, F.; Dammann, D.; Pardos, C. Diez; Eckerlin, G.; Eckstein, D.; Flucke, G.; Geiser, A.; Glushkov, I.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Knutsson, A.; Kraemer, M.; Kruecker, D.; Kuznetsova, E.; Lange, W.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Marienfeld, M.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Olzem, J.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Raspereza, A.; Cipriano, P. M. Ribeiro; Riedl, C.; Ron, E.; Rosin, M.; Salfeld-Nebgen, J.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Spiridonov, A.; Stein, M.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Blobel, V.; Draeger, J.; Enderle, H.; Erfle, J.; Gebbert, U.; Goerner, M.; Hermanns, T.; Hoeing, R. S.; Kaschube, K.; Kaussen, G.; Kirschenmann, H.; Klanner, R.; Lange, J.; Mura, B.; Nowak, F.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schroeder, M.; Schum, T.; Seidel, M.; Sola, V.; Stadie, H.; Steinbrueck, G.; Thomsen, J.; Vanelderen, L.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Berger, J.; Boeser, C.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hackstein, C.; Hartmann, F.; Hauth, T.; Heinrich, M.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Komaragiri, J. R.; Pardo, P. Lobelle; Martschei, D.; Mueller, S.; Mueller, Th.; Niegel, M.; Nuernberg, A.; Oberst, O.; Oehler, A.; Ott, J.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Ratnikova, N.; Roecker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Troendle, D.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Zeise, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Manolakos, I.; Markou, A.; Markou, C.; Mavrommatis, C.; Ntomari, E.] Inst Nucl Phys Demokritos, Aghia Paraskevi, Greece. [Gouskos, L.; Mertzimekis, T. J.; Panagiotou, A.; Saoulidou, N.; Sphicas, P.] Univ Athens, Athens, Greece. [Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Patras, V.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Krajczar, K.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. [Horvath, D.; Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, Debrecen, Hungary. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Nishu, N.; Saini, L. K.; Sharma, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Sarkar, S.; Sharan, M.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Choudhury, R. K.; Dutta, D.; Kailas, S.; Kumar, V.; Mehta, P.; Mohanty, A. K.; Pant, L. M.; Shukla, P.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Aziz, T.; Ganguly, S.; Guchait, M.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res, EHEP, Bombay 400005, Maharashtra, India. [Banerjee, S.; Guchait, M.; Dugad, S.] Tata Inst Fundamental Res, HECR, Bombay 400005, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Hashemi, M.; Hesari, H.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Lusito, L.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Zito, G.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Lusito, L.; Marangelli, B.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Selvaggi, G.; Singh, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Siroli, G. P.; Travaglini, R.; Rovelli, C.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.; Cavallo, N.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.] Univ Florence, Florence, Italy. [Fabbri, F.; Benussi, L.; Bianco, S.; Colafranceschi, S.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Fabbricatore, P.; Musenich, R.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Sala, S.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Ghezzi, A.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Abdulsalam, A.; Buontempo, S.; Montoya, C. A. Carrillo; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [De Cosa, A.; Dogangun, O.; Iorio, A. O. M.; Merola, M.] Univ Naples Federico II, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Gasparini, F.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento Trento, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Taroni, S.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Taroni, S.] Univ Perugia, I-06100 Perugia, Italy. [Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Fiori, F.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; Foa, L.; Ligabue, F.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Fanelli, C.; Grassi, M.; Longo, E.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Sigamani, M.; Soffi, L.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Fanelli, C.; Grassi, M.; Longo, E.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Cartiglia, N.; Costa, M.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Pereira, A. Vilela] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Costa, M.; Migliore, E.; Monaco, V.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Heo, S. G.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Kim, D. H.; Kim, G. N.; Kong, D. J.; Park, H.; Ro, S. R.; Son, D. C.; Son, T.; Kamon, T.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, K. S.; Moon, D. H.; Park, S. K.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Cho, Y.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Juodagalvis, A.] Vilnius Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Magana Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Bell, A. J.; Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Ansari, M. H.; Asghar, M. I.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; Gokieli, R.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Smirnov, V.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, An.; Vishnevskiy, D.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Kossov, M.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Popov, A.; Sarycheva, L.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] State Res Ctr Russian Federat, Inst High Energy Phys, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] CIEMAT, E-28040 Madrid, Spain. [Albajar, C.; Codispoti, G.; De Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Piedra Gomez, J.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Jorda, C.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Genchev, V.; Iaydjiev, P.; Puljak, I.; Sharma, A.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; D'Enterria, D.; Dabrowski, A.; De Roeck, A.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Frisch, B.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Govoni, P.; Gowdy, S.; Guida, R.; Hansen, M.; Harris, P.; Hartl, C.; Harvey, J.; Hegner, B.; Hinzmann, A.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Kousouris, K.; Lecoq, P.; Lee, Y. -J.; Lenzi, P.; Lourenco, C.; Magini, N.; Maki, T.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mozer, M. U.; Mulders, M.; Musella, P.; Nesvold, E.; Orimoto, T.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimia, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rovelli, C.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.; Adiguzel, A.; Adair, A.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Sibille, J.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Baeni, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eugster, J.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Mohr, N.; Moortgat, F.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, H. A.; Wehrli, L.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Rikova, M. Ivova; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Tupputi, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Chang, Y. H.; Chen, K. H.; Kuo, C. M.; Li, S. W.; Lin, W.; Liu, Z. K.; Lu, Y. J.; Mekterovic, D.; Singh, A. P.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Chang, Y. H.; Bartalini, P.; Chang, P.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wan, X.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Srimanobhas, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Karaman, T.; Karapinar, G.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, L. N.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Cankocak, K.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.] Natl Sci Ctr, Kharkov Inst Phys & Technol, Kharkov, Ukraine. [Bostock, F.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Belyaev, A.; Worm, S. D.; Newbold, D. M.; Basso, L.; Bell, K. W.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Ball, G.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Papageorgiou, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Ryan, M. J.; Seez, C.; Sharp, P.; Sparrow, A.; Stoye, M.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Hatakeyama, K.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; St John, J.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Bhattacharya, S.; Alimena, J.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Nguyen, D.; Segala, M.; Sinthuprasith, T.; Speer, T.; Tsang, K. V.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Dolen, J.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Mall, O.; Miceli, T.; Pellett, D.; Ricci-tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Sierra, R. Vasquez; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Weber, M.; Andreev, V.; Felcini, M.; Cline, D.; Cousins, R.; Duris, J.; Erhan, S.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Plager, C.; Rakness, G.; Schlein, P.; Traczyk, P.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Liu, H.; Babb, J.; Clare, R.; Dinardo, M. E.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Jeng, G. Y.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Golf, F.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; Incandela, J.; Justus, C.; Kalavase, P.; Koay, S. A.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Mccoll, N.; Pavlunin, V.; Rebassoo, F.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Apresyan, A.; Bornheim, A.; Chen, Y.; Di Marco, E.; Duarte, J.; Gataullin, M.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Akgun, B.; Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Heltsley, B.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bloch, I.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Green, D.; Gutsche, O.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kilminster, B.; Klima, B.; Kunori, S.; Kwan, S.; Leonidopoulos, C.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yumiceva, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Gartner, J.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Park, M.; Remington, R.; Rinkevicius, A.; Sellers, P.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Vodopiyanov, I.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Lacroix, F.; Malek, M.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] Univ Illinois, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Duru, F.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Norbeck, E.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Rappoccio, S.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Iii, R. P. Kenny; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Tinti, G.; Wood, J. S.; Zhukova, V.] Univ Kansas, Lawrence, KS 66045 USA. [Khalil, S.; Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Boutemeur, M.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Peterman, A.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.; Twedt, E.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Hahn, K. A.; Kim, Y.; Klute, M.; Krajczar, K.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.] MIT, Cambridge, MA 02139 USA. [Cooper, S. I.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Butt, J.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malbouisson, H.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.] SUNY Buffalo, Buffalo, NY 14260 USA. 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Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Safdi, B.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Barnes, V. E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Laasanen, A. T.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Guragain, S.; Parashar, N.] Purdue Univ Calumet, Hammond, IN USA. [Li, W.; Adair, A.; Boulahouache, C.; Ecklund, K. M.; Geurts, F. J. M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Chung, Y. 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MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NKTH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Korea); WCU (Korea); LAS (Lithuania); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MSTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); TUBITAK (Turkey); TAEK (Turkey); STFC (United Kingdom); DOE (USA); NSF (USA) FX We thank Nathaniel Craig for performing checks of the signal model considered in this analysis. We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC machine. We thank the technical and administrative staff at CERN and other CMS institutes, and acknowledge support from the following: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MES (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NKTH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Korea); LAS (Lithuania); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); MON, RosAtom, RAS and RFBR (Russia); MSTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); TUBITAK and TAEK (Turkey); STFC (United Kingdom); DOE and NSF (USA). NR 18 TC 7 Z9 7 U1 2 U2 101 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 MAY 21 PY 2013 VL 87 IS 9 AR 092008 DI 10.1103/PhysRevD.87.092008 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 148XZ UT WOS:000319283500002 ER PT J AU Chen, SW Guo, H Seu, KA Dumesnil, K Roy, S Sinha, SK AF Chen, S. -W. Guo, H. Seu, K. A. Dumesnil, K. Roy, S. Sinha, S. K. TI Jamming Behavior of Domains in a Spiral Antiferromagnetic System SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERCOOLED LIQUIDS; MAGNETIC-STRUCTURE; GLASS-TRANSITION; DYNAMICS; SCATTERING; SUPERLATTICES; DYSPROSIUM; MATTER; FILMS; HO AB Using resonant magnetic x-ray photon correlation spectroscopy, we show that the domains of a spiral antiferromagnet enter a jammed state at the onset of long-range order. We find that the slow thermal fluctuations of the domain walls exhibit a compressed exponential relaxation with an exponent of 1.5 found in a wide variety of solidlike jammed systems and can be qualitatively explained in terms of stress release in a stressed network. As the temperature decreases, the energy barrier for fluctuations becomes large enough to arrest further domain wall fluctuations, and the domains freeze into a spatial configuration within 10 K of the Neel temperature. The relaxation times can be fitted with the Vogel-Fulcher law as observed in polymers, glasses, and colloids, thereby indicating that the dynamics of domain walls in an ordered antiferromagnet exhibit some of the universal features associated with jamming behavior. C1 [Chen, S. -W.; Guo, H.; Sinha, S. K.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Seu, K. A.; Roy, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Dumesnil, K.] Univ Lorraine, Inst Jean Lamour, UMR CNRS 7198, F-54500 Vandoeuvre Les Nancy, France. RP Roy, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM SRoy@lbl.gov OI DUMESNIL, Karine/0000-0002-2304-4490 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DEAC02-05CH11231]; Basic Energy Sciences, U.S. Department of Energy [DE-SC0003678] FX The work at LBNL including experiment at ALS was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DEAC02-05CH11231. Work at UCSD was supported by Basic Energy Sciences, U.S. Department of Energy under Grant No. DE-SC0003678. NR 33 TC 16 Z9 16 U1 3 U2 39 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2013 VL 110 IS 21 AR 217201 DI 10.1103/PhysRevLett.110.217201 PG 5 WC Physics, Multidisciplinary SC Physics GA 148VX UT WOS:000319277300033 PM 23745918 ER PT J AU Gumberidze, A Thorn, DB Fontes, CJ Najjari, B Zhang, HL Surzhykov, A Voitkiv, A Fritzsche, S Banas, D Beyer, H Chen, W DuBois, RD Geyer, S Grisenti, RE Hagmann, S Hegewald, M Hess, S Kozhuharov, C Martin, R Orban, I Petridis, N Reuschl, R Simon, A Spillmann, U Trassinelli, M Trotsenko, S Weber, G Winters, DFA Winters, N Yu, D Stohlker, T AF Gumberidze, A. Thorn, D. B. Fontes, C. J. Najjari, B. Zhang, H. L. Surzhykov, A. Voitkiv, A. Fritzsche, S. Banas, D. Beyer, H. Chen, W. DuBois, R. D. Geyer, S. Grisenti, R. E. Hagmann, S. Hegewald, M. Hess, S. Kozhuharov, C. Maertin, R. Orban, I. Petridis, N. Reuschl, R. Simon, A. Spillmann, U. Trassinelli, M. Trotsenko, S. Weber, G. Winters, D. F. A. Winters, N. Yu, D. Stoehlker, Th. TI Electron- and Proton-Impact Excitation of Hydrogenlike Uranium in Relativistic Collisions SO PHYSICAL REVIEW LETTERS LA English DT Article ID GENERALIZED BREIT INTERACTION; K-SHELL EXCITATION; IONS; IONIZATION; HE; TARGET; HEAVY AB The K shell excitation of H-like uranium (U91+) in relativistic collisions with different gaseous targets has been studied at the experimental storage ring at GSI Darmstadt. By performing measurements with different targets as well as with different collision energies, we were able to observe for the first time the effect of electron-impact excitation (EIE) process in the heaviest hydrogenlike ion. The large fine-structure splitting in H-like uranium allowed us to unambiguously resolve excitation into different L shell levels. State-of-the-art calculations performed within the relativistic framework which include excitation mechanisms due to both protons (nucleus) and electrons are in good agreement with the experimental findings. Moreover, our experimental data clearly demonstrate the importance of including the generalized Breit interaction in the treatment of the EIE process. C1 [Gumberidze, A.; Thorn, D. B.; DuBois, R. D.; Petridis, N.; Reuschl, R.] GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, D-64291 Darmstadt, Germany. [Gumberidze, A.; Thorn, D. B.; DuBois, R. D.; Petridis, N.; Reuschl, R.] GSI Helmholtzzentrum Schwerionenforsch, Div Res, D-64291 Darmstadt, Germany. [Gumberidze, A.; Thorn, D. B.; Fritzsche, S.] FIAS Frankfurt Inst Adv Studies, D-60438 Frankfurt, Germany. [Fontes, C. J.; Zhang, H. L.] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. [Najjari, B.] Inst Pluridisciplinaire Hubert Curien, Grp RaMsEs, F-67037 Strasbourg 2, France. [Surzhykov, A.; Fritzsche, S.; Beyer, H.; Chen, W.; Geyer, S.; Grisenti, R. E.; Hagmann, S.; Hegewald, M.; Hess, S.; Kozhuharov, C.; Maertin, R.; Petridis, N.; Spillmann, U.; Trotsenko, S.; Weber, G.; Winters, D. F. A.; Winters, N.; Yu, D.; Stoehlker, Th.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Surzhykov, A.; Winters, D. F. A.; Winters, N.] Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. [Voitkiv, A.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Fritzsche, S.] Univ Oulu, Dept Phys, Oulu 90014, Finland. [Banas, D.] Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25406 Kielce, Poland. [Beyer, H.; Maertin, R.; Trotsenko, S.; Weber, G.; Stoehlker, Th.] Helmholtz Inst Jena, D-07743 Jena, Germany. [DuBois, R. D.] Missouri Univ Sci & Technol, Rolla, MO 65409 USA. [Geyer, S.; Grisenti, R. E.; Hagmann, S.; Hegewald, M.; Hess, S.; Petridis, N.] Goethe Univ Frankfurt, Inst Kernphys, D-60486 Frankfurt, Germany. [Orban, I.] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Reuschl, R.; Trassinelli, M.] CNRS, Inst NanoSci Paris, UMR7588, F-75015 Paris, France. [Reuschl, R.; Trassinelli, M.] UMPC Paris 6, F-75015 Paris, France. [Simon, A.] Jagiellonian Univ, Inst Phys, PL-30059 Krakow, Poland. [Yu, D.] Inst Modern Phys, Lanzhou 730000, Peoples R China. [Stoehlker, Th.] Univ Jena, IOQ, D-07743 Jena, Germany. RP Gumberidze, A (reprint author), GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, D-64291 Darmstadt, Germany. RI Banas, Dariusz/F-5025-2011; Trassinelli, Martino/M-5326-2016 OI Banas, Dariusz/0000-0003-1566-5446; Trassinelli, Martino/0000-0003-4414-1801 FU Helmholtz Alliance Program of the Helmholtz Association [HA216/EMMI]; Helmholtz Gemeinschaft; GSI [VH-NG-421]; EMMI; MNiSW [N N202 463539]; Helmholtz Gemeinschaft [VH-NG-331] FX This work was supported by the Helmholtz Alliance Program of the Helmholtz Association, Contract No. HA216/EMMI "Extremes of Density and Temperature: Cosmic Matter in the Laboratory.'' A. S. acknowledges support from the Helmholtz Gemeinschaft and GSI under Project No. VH-NG-421 and S. F. those of the FiDiPro program of the Finnish Academy. A. V. acknowledges support from EMMI. D. B. acknowledges support from MNiSW under Grant No. N N202 463539. R. E. G. acknowledges funding by the Helmholtz Gemeinschaft under Grant No. VH-NG-331. NR 30 TC 21 Z9 21 U1 0 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2013 VL 110 IS 21 AR 213201 DI 10.1103/PhysRevLett.110.213201 PG 5 WC Physics, Multidisciplinary SC Physics GA 148VX UT WOS:000319277300011 PM 23745869 ER PT J AU Klepper, CC Isler, RC Hillairet, J Martin, EH Colas, L Ekedahl, A Goniche, M Harris, JH Hillis, DL Panayotis, S Pegourie, B Lotte, P Colledani, G Martin, V AF Klepper, C. C. Isler, R. C. Hillairet, J. Martin, E. H. Colas, L. Ekedahl, A. Goniche, M. Harris, J. H. Hillis, D. L. Panayotis, S. Pegourie, B. Lotte, Ph. Colledani, G. Martin, V. CA Tore Supra Lower Hybrid Syst Tech TI Dynamic Stark Spectroscopic Measurements of Microwave Electric Fields Inside the Plasma Near a High-Power Antenna SO PHYSICAL REVIEW LETTERS LA English DT Article ID TORE-SUPRA; FREQUENCY; WAVES; LINES AB Fully dynamic Stark effect visible spectroscopy was used for the first time to directly measure the local rf electric field in the boundary plasma near a high-power antenna in high-performance, magnetically confined, fusion energy experiment. The measurement was performed in the superconducting tokamak Tore Supra, in the near field of a 1-3 MW, lower-hybrid, 3.7 GHz wave-launch antenna, and combined with modeling of neutral atom transport to estimate the local rf electric field amplitude (as low as 1-2 kV/cm) and direction in this region. The measurement was then shown to be consistent with the predicted values from a 2D full-wave propagation model. Notably the measurement confirmed that the electric field direction deviates substantially from the direction in which it is launched by the waveguides as it penetrates only a few cm radially inward into the plasma from the waveguides, consistent with the model. C1 [Klepper, C. C.; Isler, R. C.; Martin, E. H.; Harris, J. H.; Hillis, D. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Klepper, C. C.; Hillairet, J.; Colas, L.; Ekedahl, A.; Goniche, M.; Panayotis, S.; Pegourie, B.; Lotte, Ph.; Colledani, G.; Martin, V.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Martin, E. H.] N Carolina State Univ, Raleigh, NC 27695 USA. RP Klepper, CC (reprint author), CEA, IRFM, SCCP Bat 513, F-13108 St Paul Les Durance, France. EM kleppercc@ornl.gov RI Schneider, Mireille/B-7821-2010; Decker, Joan/B-7779-2010; Klepper, C.Christopher/I-9904-2016; OI Decker, Joan/0000-0003-0220-2653; Klepper, C.Christopher/0000-0001-9107-8337; Isler, Ralph/0000-0002-5368-7200 FU U.S. DOE [DE-AC05-00OR22725]; UT-Battelle, LLC.; European Communities FX This work was supported in part by the U.S. DOE under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC., and in part by the European Communities under the contract of Association between EURATOM and CEA and within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 16 TC 5 Z9 5 U1 1 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2013 VL 110 IS 21 AR 215005 DI 10.1103/PhysRevLett.110.215005 PG 5 WC Physics, Multidisciplinary SC Physics GA 148VX UT WOS:000319277300024 PM 23901403 ER PT J AU Chaudhury, S Abdulhameed, MDM Singh, N Tawa, GJ D'haeseleer, PM Zemla, AT Navid, A Zhou, CE Franklin, MC Cheung, J Rudolph, MJ Love, J Graf, JF Rozak, DA Dankmeyer, JL Amemiya, K Daefler, S Wallqvist, A AF Chaudhury, Sidhartha Abdulhameed, Mohamed Diwan M. Singh, Narender Tawa, Gregory J. D'haeseleer, Patrik M. Zemla, Adam T. Navid, Ali Zhou, Carol E. Franklin, Matthew C. Cheung, Jonah Rudolph, Michael J. Love, James Graf, John F. Rozak, David A. Dankmeyer, Jennifer L. Amemiya, Kei Daefler, Simon Wallqvist, Anders TI Rapid Countermeasure Discovery against Francisella tularensis Based on a Metabolic Network Reconstruction SO PLOS ONE LA English DT Article ID MYCOBACTERIUM-TUBERCULOSIS; ESCHERICHIA-COLI; DRUG TARGETS; PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; CHORISMATE SYNTHASE; ACCURATE DOCKING; SYSTEMS BIOLOGY; IN-SILICO; INHIBITORS; DATABASE AB In the future, we may be faced with the need to provide treatment for an emergent biological threat against which existing vaccines and drugs have limited efficacy or availability. To prepare for this eventuality, our objective was to use a metabolic network-based approach to rapidly identify potential drug targets and prospectively screen and validate novel small-molecule antimicrobials. Our target organism was the fully virulent Francisella tularensis subspecies tularensis Schu S4 strain, a highly infectious intracellular pathogen that is the causative agent of tularemia and is classified as a category A biological agent by the Centers for Disease Control and Prevention. We proceeded with a staggered computational and experimental workflow that used a strain-specific metabolic network model, homology modeling and X-ray crystallography of protein targets, and ligand- and structure-based drug design. Selected compounds were subsequently filtered based on physiological-based pharmacokinetic modeling, and we selected a final set of 40 compounds for experimental validation of antimicrobial activity. We began screening these compounds in whole bacterial cell-based assays in biosafety level 3 facilities in the 20th week of the study and completed the screens within 12 weeks. Six compounds showed significant growth inhibition of F. tularensis, and we determined their respective minimum inhibitory concentrations and mammalian cell cytotoxicities. The most promising compound had a low molecular weight, was non-toxic, and abolished bacterial growth at 13 mu M, with putative activity against pantetheine-phosphate adenylyltransferase, an enzyme involved in the biosynthesis of coenzyme A, encoded by gene coaD. The novel antimicrobial compounds identified in this study serve as starting points for lead optimization, animal testing, and drug development against tularemia. Our integrated in silico/in vitro approach had an overall 15% success rate in terms of active versus tested compounds over an elapsed time period of 32 weeks, from pathogen strain identification to selection and validation of novel antimicrobial compounds. C1 [Chaudhury, Sidhartha; Abdulhameed, Mohamed Diwan M.; Singh, Narender; Tawa, Gregory J.; Wallqvist, Anders] USA, Dept Def Biotechnol, High Performance Comp Software Applicat Inst, Telemed & Adv Technol Res Ctr,Med Res & Mat Comma, Ft Detrick, MD USA. [D'haeseleer, Patrik M.; Zemla, Adam T.; Navid, Ali; Zhou, Carol E.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Franklin, Matthew C.; Cheung, Jonah; Rudolph, Michael J.; Love, James] New York Struct Biol Ctr, New York, NY USA. [Graf, John F.] GE Co, GE Global Res, Diagnost & Biomed Technol, Computat Biol & Biostat Lab, Niskayuna, NY USA. [Rozak, David A.; Dankmeyer, Jennifer L.; Amemiya, Kei] USA, Bacteriol Div, Med Res Inst Infect Dis, Ft Detrick, MD USA. [Daefler, Simon] Mt Sinai Sch Med, New York, NY USA. RP Wallqvist, A (reprint author), USA, Dept Def Biotechnol, High Performance Comp Software Applicat Inst, Telemed & Adv Technol Res Ctr,Med Res & Mat Comma, Ft Detrick, MD USA. EM awallqvist@bhsai.org RI AbdulHameed, Mohamed Diwan M/O-3088-2015; OI AbdulHameed, Mohamed Diwan M/0000-0003-1483-4084; wallqvist, anders/0000-0002-9775-7469 FU Defense Threat Reduction Agency [TMTI0004.09.BH.T, HDTRA1-08-C-0052, TMTI10049.09.RD.T, W911SR-11-C-0014] FX This work was supported by the Defense Threat Reduction Agency through projects TMTI0004.09.BH.T, HDTRA1-08-C-0052, TMTI10049.09.RD.T, and W911SR-11-C-0014. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 70 TC 2 Z9 2 U1 1 U2 16 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 21 PY 2013 VL 8 IS 5 AR e63369 DI 10.1371/journal.pone.0063369 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 149OK UT WOS:000319330200030 PM 23704901 ER PT J AU Spring, FA Griffiths, RE Mankelow, TJ Agnew, C Parsons, SF Chasis, JA Anstee, DJ AF Spring, Frances A. Griffiths, Rebecca E. Mankelow, Tosti J. Agnew, Christopher Parsons, Stephen F. Chasis, Joel A. Anstee, David J. TI Tetraspanins CD81 and CD82 Facilitate alpha 4 beta 1-Mediated Adhesion of Human Erythroblasts to Vascular Cell Adhesion Molecule-1 SO PLOS ONE LA English DT Article ID LATE ACTIVATION ANTIGEN-4; BLOOD-GROUP ANTIGENS; HUMAN BONE-MARROW; ERYTHROID-DIFFERENTIATION; HEMATOPOIETIC PROGENITORS; INTEGRIN ALPHA(4)BETA(1); STROMAL MACROPHAGES; ALPHA-4 INTEGRINS; IN-VIVO; FIBRONECTIN AB The proliferation and terminal differentiation of erythroid progenitors occurs in human bone marrow within erythroblastic islands, specialised structures consisting of a central macrophage surrounded by developing erythroid cells. Many cell-cell and cell-matrix adhesive interactions maintain and regulate the co-ordinated daily production of reticulocytes. Erythroid cells express only one integrin, alpha 4 beta 1, throughout differentiation, and its interactions with both macrophage Vascular Cell Adhesion Molecule-1 and with extracellular matrix fibronectin are critical for erythropoiesis. We observed that proerythroblasts expressed a broad tetraspanin phenotype, and investigated whether any tetraspanin could modulate integrin function. A specific association between alpha 4 beta 1 and CD81, CD82 and CD151 was demonstrated by confocal microscopy and co-immune precipitation. We observed that antibodies to CD81 and CD82 augmented adhesion of proerythroblasts to Vascular Cell Adhesion Molecule-1 but not to the fibronectin spliceoforms FnIII(12-IIICS-15) and FnIII(12-15). In contrast, different anti-CD151 antibodies augmented or inhibited adhesion of proerythroblasts to Vascular Cell Adhesion Molecule-1 and the fibronectin spliceoform FnIII(12-IIICS-15) but not to FnIII12-15. These results strongly suggest that tetraspanins have a functional role in terminal erythropoiesis by modulating interactions of erythroblast a4b1 with both macrophages and extracellular matrix. C1 [Spring, Frances A.; Griffiths, Rebecca E.; Mankelow, Tosti J.; Parsons, Stephen F.; Anstee, David J.] Bristol Inst Transfus Sci, Bristol, Avon, England. [Agnew, Christopher] Univ Bristol, Dept Biochem, Bristol, Avon, England. [Chasis, Joel A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Spring, FA (reprint author), Bristol Inst Transfus Sci, Bristol, Avon, England. EM frances.spring@nhsbt.nhs.uk RI Griffiths, Rebecca/C-6127-2017 OI Griffiths, Rebecca/0000-0001-7461-0635 FU National Institute for Health Research; Department of Health (England); Biological and Biotechnology Research Council [BB/7007256]; National Institutes of Health grant [DK32094] FX This work was funded by grants from three United Kingdom (UK) grant funding bodies, the National Institute for Health Research (http://www.ccf.nihr.ac.uk/PGfAR/Pages/Home.aspx; FAS, DJA), the Department of Health (England) (http://www.dh.gov.uk/health/category/research; REG, TJM, SFP) and the Biological and Biotechnology Research Council (http://www.bbsrc.ac.uk/home/home.aspx; grant BB/7007256, CA). National Institutes of Health grant DK32094 (http://grants.nih.gov/grants/oer.htm) funded JAC. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 66 TC 8 Z9 9 U1 0 U2 2 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 21 PY 2013 VL 8 IS 5 AR UNSP e62654 DI 10.1371/journal.pone.0062654 PG 15 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 149OK UT WOS:000319330200011 PM 23704882 ER PT J AU Dahal, A Coy-Diaz, H Addou, R Lallo, J Sutter, E Batzill, M AF Dahal, Arjun Coy-Diaz, Horacio Addou, Rafik Lallo, James Sutter, Eli Batzill, Matthias TI Preparation and characterization of Ni(111)/graphene/Y2O3(111) heterostructures SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID GRAPHENE FILMS; EPITAXIAL GRAPHENE; ATOMIC-STRUCTURE; LARGE-AREA; DEPOSITION; MONOLAYER; SURFACE; GROWTH; CARBON; NICKEL AB Integration of graphene with other materials by direct growth, i.e., not using mechanical transfer procedures, is investigated on the example of metal/graphene/dielectric heterostructures. Such structures may become useful in spintronics applications using graphene as a spin-filter. Here, we systematically discuss the optimization of synthesis procedures for every layer of the heterostructure and characterize the material by imaging and diffraction methods. 300nm thick contiguous (111) Ni-films are grown by physical vapor deposition on YSZ(111) or Al2O3(0001) substrates. Subsequently, chemical vapor deposition growth of graphene in ultra-high vacuum (UHV) is compared to tube-furnace synthesis. Only under UHV conditions, monolayer graphene in registry with Ni(111) has been obtained. In the tube furnace, mono-and bilayer graphene is obtained at growth temperatures of similar to 800 degrees C, while at 900 degrees C, non-uniform thick graphene multilayers are formed. Y2O3 films grown by reactive molecular beam epitaxy in UHV covers the graphene/Ni(111) surface uniformly. Annealing to 500 degrees C results in crystallization of the yttria with a (111) surface orientation. (C) 2013 AIP Publishing LLC. C1 [Dahal, Arjun; Coy-Diaz, Horacio; Addou, Rafik; Lallo, James; Batzill, Matthias] Univ S Florida, Dept Phys, Tampa, FL 33620 USA. [Sutter, Eli] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Batzill, M (reprint author), Univ S Florida, Dept Phys, Tampa, FL 33620 USA. EM mbatzill@usf.edu RI Addou, Rafik/C-8992-2013; Dahal, Arjun/E-3117-2013; Batzill, Matthias/J-4297-2014; OI Addou, Rafik/0000-0002-5454-0315; Batzill, Matthias/0000-0001-8984-8427; Dahal, Arjun/0000-0003-0530-919X FU U.S. Department of Energy [DE-AC02-98CH10886]; National Science Foundation [NSF-DMR 1204924] FX We would like to thank Kim Kisslinger for technical support. This work was performed in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, under the auspices of the U.S. Department of Energy, under Contract No. DE-AC02-98CH10886. Financial support from the National Science Foundation under Award No. NSF-DMR 1204924 is acknowledged. NR 34 TC 11 Z9 11 U1 2 U2 54 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 21 PY 2013 VL 113 IS 19 AR 194305 DI 10.1063/1.4805042 PG 8 WC Physics, Applied SC Physics GA 149CI UT WOS:000319295200049 ER PT J AU Nlebedim, IC Vinitha, M Praveen, PJ Das, D Jiles, DC AF Nlebedim, I. C. Vinitha, M. Praveen, P. J. Das, D. Jiles, D. C. TI Temperature dependence of the structural, magnetic, and magnetostrictive properties of zinc-substituted cobalt ferrite SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ACTUATOR APPLICATIONS; ANISOTROPY; SENSOR AB This study presents the effects of substitution of Zn2+ for Co2+ at low concentrations and the effects of temperature variations on the structural, magnetic, and magnetostrictive properties of cobalt ferrite. Although the Zn-substituted cobalt ferrite samples, Co1-xZnxFe2O4 (x = 0.02, 0.04, 0.06, 0.09, and 0.17) did not show observable changes in crystal structure, the magnetic and magnetostrictive properties were strongly affected. The variation in magnetic susceptibility with composition can be related to the variations in magnetization, coercive field and magnetocrystalline anisotropy. The changes in coercive field were found to be primarily due to the variations in the magnetocrystalline anisotropy. The effect of magnetocrystalline anisotropy on magnetization was stronger at lower cation concentration than at higher concentrations. The decrease in magnetization around 150K is attributed to the high magnetocrystalline anisotropy at low temperatures which prevented the maximum applied field of 4 MA/m from causing the saturation of magnetization in the samples. Because the magnetocrystalline anisotropy was determined with the magnetization data using the Law of Approach to saturation magnetization, the reliability of the result was found to decrease with decrease in temperature. Peak-to-peak magnetostriction amplitude and the strain sensitivity decreased with increase in Zn substitution. (C) 2013 AIP Publishing LLC. C1 [Nlebedim, I. C.; Jiles, D. C.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Nlebedim, I. C.; Jiles, D. C.] Iowa State Univ, Elect & Comp Engn Dept, Ames, IA 50011 USA. [Vinitha, M.; Praveen, P. J.; Das, D.] Univ Hyderabad, Sch Engn Sci & Technol, Hyderabad 500046, Andhra Pradesh, India. RP Nlebedim, IC (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. FU Department of Energy-Basic Energy Sciences, Materials Science, and Engineering Division [DE-AC02-07CH11358]; Science and Engineering Research Board (SERB), Department of Science and Technology (DST) [SR/S3/ME/0012/2011] FX Research at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences, Materials Science, and Engineering Division under Contract No: DE-AC02-07CH11358.; Research carried out at the School of Engineering Sciences and Technology (SEST) at the University of Hyderabad is partially supported by the Science and Engineering Research Board (SERB), Department of Science and Technology (DST) through the Grant No. SR/S3/ME/0012/2011. NR 26 TC 16 Z9 16 U1 8 U2 37 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 21 PY 2013 VL 113 IS 19 AR 193904 DI 10.1063/1.4804963 PG 7 WC Physics, Applied SC Physics GA 149CI UT WOS:000319295200035 ER PT J AU Marcham, MK Shelford, LR Cavill, SA Keatley, PS Yu, W Shafer, P Neudert, A Childress, JR Katine, JA Arenholz, E Telling, ND van der Laan, G Hicken, RJ AF Marcham, M. K. Shelford, L. R. Cavill, S. A. Keatley, P. S. Yu, W. Shafer, P. Neudert, A. Childress, J. R. Katine, J. A. Arenholz, E. Telling, N. D. van der Laan, G. Hicken, R. J. TI Phase-resolved x-ray ferromagnetic resonance measurements of spin pumping in spin valve structures SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIZATION DYNAMICS; NANOSTRUCTURES AB Element-specific phase-resolved x-ray ferromagnetic resonance (FMR) was used to study spin pumping within Co50Fe50(3)/Cu(6)/Ni80Fe20(5) (thicknesses in nanometers) spin valve structures with large areas, so that edge effects typical of nanopillars used in standard magnetotransport experiments could be neglected. The phase of precession of the Co50Fe50 fixed layer was recorded as FMR was induced in the Ni80Fe20 free layer. The field dependence of the fixed layer phase contains a clear signature of spin transfer torque (STT) coupling due to spin pumping. Fitting the phase delay yields the spin-mixing conductance, the quantity that controls all spin transfer phenomena. The STT coupling is destroyed by insertion of Ta into the middle of the Cu layer. C1 [Marcham, M. K.; Keatley, P. S.; Yu, W.; Hicken, R. J.] Univ Exeter, Sch Phys & Astron, Exeter EX4 4QL, Devon, England. [Shelford, L. R.; Cavill, S. A.; van der Laan, G.] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Shafer, P.; Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Neudert, A.] Helmholtz Zentrum Dresden Rossendorf eV, Inst Ion Beam Phys & Mat Res, D-01314 Dresden, Germany. [Childress, J. R.; Katine, J. A.] HGST, San Jose Res Ctr, San Jose, CA 95135 USA. [Telling, N. D.] Keele Univ, Inst Sci & Technol Med, Guy Hilton Res Ctr, Stoke On Trent ST4 7QB, Staffs, England. RP Marcham, MK (reprint author), Univ Exeter, Sch Phys & Astron, Stocker Rd, Exeter EX4 4QL, Devon, England. EM R.J.Hicken@exeter.ac.uk RI Neudert, Andreas/H-1798-2012; Cavill, Stuart/C-5002-2015; van der Laan, Gerrit/Q-1662-2015; OI Cavill, Stuart/0000-0002-1359-4958; van der Laan, Gerrit/0000-0001-6852-2495; Keatley, Paul/0000-0002-7679-6418 FU EPSRC [EP/F021755/1] FX The authors gratefully acknowledge the financial support of EPSRC Grant No. EP/F021755/1. Part of this work was carried out on beamline I06 at Diamond Light Source. NR 21 TC 12 Z9 12 U1 0 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 21 PY 2013 VL 87 IS 18 AR 180403 DI 10.1103/PhysRevB.87.180403 PG 4 WC Physics, Condensed Matter SC Physics GA 148XA UT WOS:000319280600001 ER PT J AU Pawelczak, IA Ouedraogo, SA Glenn, AM Wurtz, RE Nakae, LF AF Pawelczak, I. A. Ouedraogo, S. A. Glenn, A. M. Wurtz, R. E. Nakae, L. F. TI Studies of neutron-gamma pulse shape discrimination in EJ-309 liquid scintillator using charge integration method SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Liquid scintillator; EJ-309; Pulse shape discrimination; Fast-neutron detection AB Pulse shape discrimination capability based on the charge integration has been investigated for liquid scintillator EJ-309. The effectiveness of neutron-gamma discrimination in 4-in. diameter and 3-in. thick EJ-309 cells coupled with 3-in. photomultiplier tubes has been carefully studied in the laboratory environment and compared to the commonly used EJ-301 liquid scintillator formulation. Influences of distortions in pulse shape caused by 13.7-m long cables necessary for some remote operations have been examined. The parameter space for an effective neutron-gamma discrimination for these assays, such as position and width of a gate used for integration of the delayed light, has been explored. (c) 2013 Published by Elsevier B.V. C1 [Pawelczak, I. A.; Ouedraogo, S. A.; Glenn, A. M.; Wurtz, R. E.; Nakae, L. F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Pawelczak, IA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM pawelczak1@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 13 TC 15 Z9 15 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 21 EP 26 DI 10.1016/j.nima.2013.01.028 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300004 ER PT J AU Gregorich, KE AF Gregorich, K. E. TI Simulation of recoil trajectories in gas-filled magnetic separators SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Gas-filled separator; Trajectory simulation; Heavy ions ID CHANGING CROSS-SECTIONS; IONS; ATOMS AB A computer code has been developed to simulate the production of heavy element compound nucleus recoils and their trajectories through gas-filled magnetic separators. The simulation is carried out in three steps: positions and trajectories of heavy element recoils in the target layer, propagation through remaining target material, and trajectories through the gas-filled separator. Separators with quite different magnetic configurations are modeled: the Berkeley gas-filled separator (BGS) and two magnetic configurations for the TransActinide separator and chemistry apparatus (TASCA). While computing trajectories through the gas-filled separator, special attention is paid to the charge exchange/equilibration and scattering in the gas. New features of these simulations include mixed He/H-2/N-2 gas operation and a gas density (pressure) effect. Numerical procedures used in the simulations are explained in detail. Results of the simulations are presented, showing the gas mixtures/pressures that result in the highest efficiency for collecting compound nucleus recoils at the focal plane of the gas-filled separator. Comparison between simulation and experimental results are presented for average recoil ion charge in various gases, focal plane image size, and magnetic rigidity dispersion. Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Gregorich, KE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, MS 88R0192,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM KEGregorich@lbl.gov FU Office of High Energy and Nuclear Physics, Nuclear Physics Division, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Financial support was provided Office of High Energy and Nuclear Physics, Nuclear Physics Division, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract DE-AC02-05CH11231. The author also thanks the TASCA group (with special thanks to A. Semchenkov) for providing geometry, field maps and experimental data for the TASCA separator. NR 20 TC 16 Z9 16 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 47 EP 59 DI 10.1016/j.nima.2013.01.020 PG 13 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300007 ER PT J AU Wisniewski, EE Velazquez, D Yusof, Z Spentzouris, L Terry, J Sarkar, TJ Harkay, K AF Wisniewski, Eric E. Velazquez, Daniel Yusof, Zikri Spentzouris, Linda Terry, Jeff Sarkar, Tapash J. Harkay, Katherine TI Kelvin probe studies of cesium telluride photocathode for AWA photoinjector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Photocathodes; Electron sources; Work function; Photodetectors ID WORK-FUNCTIONS; SPECTROSCOPY AB Cesium telluride is an important photocathode as an electron source for particle accelerators. It has a relatively high quantum efficiency (> 1%), is sufficiently robust in a photoinjector, and has a long lifetime. This photocathode is grown in-house for a new Argonne Wakefield Accelerator (AWA) beamline to produce high charge per bunth (approximate to 50 nC) in a long bunch train. Here, we present a study of the work function of cesium telluride photocathode using the Kelvin probe technique. The study includes an investigation of the correlation between the quantum efficiency and the work function, the effect of photocathode aging, the effect of UV exposure on the work function, and the evolution of the work function during and after photocathode rejuvenation via heating. (c) 2013 Elsevier B.V. All rights reserved. C1 [Wisniewski, Eric E.; Velazquez, Daniel; Yusof, Zikri] Argonne Natl Lab, Div High Energy Phys, Lemont, IL 60439 USA. [Wisniewski, Eric E.; Velazquez, Daniel; Yusof, Zikri; Spentzouris, Linda; Terry, Jeff] IIT, Dept Phys, Chicago, IL 60616 USA. [Sarkar, Tapash J.] Rice Univ, Houston, TX 77005 USA. [Harkay, Katherine] Argonne Natl Lab, Accelerator Sci Div, Lemont, IL 60439 USA. RP Wisniewski, EE (reprint author), Argonne Natl Lab, Div High Energy Phys, 9700 S Cass, Lemont, IL 60439 USA. EM ewisniew@anl.gov; zyusof@hawk.iit.edu FU U.S. Department of Energy Office of Science [DE-AC02-06CH11357]; National Science Foundation [0969989]; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX We thank Richard Rosenberg, Wei Gai, and acknowledge valuable discussion with Karoly Nemeth and Anton Tremsin. This work was funded by the U.S. Department of Energy Office of Science under Contract number DE-AC02-06CH11357 and the National Science Foundation under Grant number 0969989. The submitted manuscript has been created 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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in the said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 19 TC 2 Z9 2 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 60 EP 64 DI 10.1016/j.nima.2013.01.045 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300008 ER PT J AU Aartsen, MG Abbasi, R Abdou, Y Ackermann, M Adams, J Aguilar, JA Ahlers, M Altmann, D Auffenberg, J Bai, X Baker, M Barwick, SW Baum, V Bay, R Beatty, JJ Bechet, S Tjus, JB Becker, KH Bell, M Benabderrahmane, ML BenZvi, S Berdermann, J Berghaus, P Berley, D Bernardini, E Bernhard, A Bertrand, D Besson, DZ Binder, G Bindig, D Bissok, M Blaufuss, E Blumenthal, J Boersma, DJ Bohaichuk, S Bohm, C Bose, D Boser, S Botner, O Brayeur, L Brown, AM Bruijn, R Brunner, J Buitink, S Carson, M Casey, J Casier, M Chirkin, D Christy, B Clark, K Clevermann, F Cohen, S Cowen, DF Silva, AHC Danninger, M Daughhetee, J Davis, JC De Clercq, C De Ridder, S Desiati, P de With, M DeYoung, T Diaz-Velez, JC Dunkman, M Eagan, R Eberhardt, B Eisch, J Ellsworth, RW Euler, S Evenson, PA Fadiran, O Fazely, AR Fedynitch, A Feintzeig, J Feusels, T Filimonov, K Finley, C Fischer-Wasels, T Flis, S Franckowiak, A Franke, R Frantzen, K Fuchs, T Gaisser, TK Gallagher, J Gerhardt, L Gladstone, L Glusenkamp, T Goldschmidt, A Golup, G Goodman, JA Gora, D Grant, D Gross, A Gurtner, M Ha, C Ismail, AH Hallgren, A Halzen, F Hanson, K Heereman, D Heimann, P Heinen, D Helbing, K Hellauer, R Hickford, S Hill, GC Hoffman, KD Hoffmann, R Homeier, A Hoshina, K Huelsnitz, W Hulth, PO Hultqvist, K Hussain, S Ishihara, A Jacobi, E Jacobsen, J Japaridze, GS Jero, K Jlelati, O Kaminsky, B Kappes, A Karg, T Karle, A Kelley, JL Kiryluk, J Kislat, F Klas, J Klein, SR Kohne, JH Kohnen, G Kolanoski, H Kopke, L Kopper, C Kopper, S Koskinen, DJ Kowalski, M Krasberg, M Kroll, G Kunnen, J Kurahashi, N Kuwabara, T Labare, M Landsman, H Larson, MJ Lesiak-Bzdak, M Leute, J Lunemann, J Madsen, J Maruyama, R Mase, K Matis, HS McNally, F Meagher, K Merck, M Meszaros, P Meures, T Miarecki, S Middell, E Milke, N Miller, J Mohrmann, L Montaruli, T Morse, R Nahnhauer, R Naumann, U Niederhausen, H Nowicki, SC Nygren, DR Obertacke, A Odrowski, S Olivas, A Olivo, M O'Murchadha, A Paul, L Pepper, JA de los Heros, CP Pfendner, C Pieloth, D Pirk, N Posselt, J Price, PB Przybylski, GT Radel, L Rawlins, K Redl, P Resconi, E Rhode, W Ribordy, M Richman, M Riedel, B Rodrigues, JP Rott, C Ruhe, T Ruzybayev, B Ryckbosch, D Saba, SM Salameh, T Sander, HG Santander, M Sarkar, S Schatto, K Scheel, M Scheriau, F Schmidt, T Schmitz, M Schoenen, S Schoneberg, S Schonherr, L Schonwald, A Schukraft, A Schulte, L Schulz, O Seckel, D Seo, SH Sestayo, Y Seunarine, S Sheremata, C Smith, MWE Soiron, M Soldin, D Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stasik, A Stezelberger, T Stokstad, RG Stossl, A Strahler, EA Strom, R Sullivan, GW Taavola, H Taboada, I Tamburro, A Ter-Antonyan, S Tilav, S Toale, PA Toscano, S Usner, M van der Drift, D van Eijndhoven, N Van Overloop, A van Santen, J Vehring, M Voge, M Vraeghe, M Walck, C Waldenmaier, T Wallraff, M Wasserman, R Weaver, C Wellons, M Wendt, C Westerhoff, S Whitehorn, N Wiebe, K Wiebusch, CH Williams, DR Wissing, H Wolf, M Wood, TR Xu, C Xu, DL Xu, XW Yanez, JP Yodh, G Yoshida, S Zarzhitsky, P Ziemann, J Zierke, S Zilles, A Zoll, M AF Aartsen, M. G. Abbasi, R. Abdou, Y. Ackermann, M. Adams, J. Aguilar, J. A. Ahlers, M. Altmann, D. Auffenberg, J. Bai, X. Baker, M. Barwick, S. W. Baum, V. Bay, R. Beatty, J. J. Bechet, S. Tjus, J. Becker Becker, K-H. Bell, M. Benabderrahmane, M. L. BenZvi, S. Berdermann, J. Berghaus, P. Berley, D. Bernardini, E. Bernhard, A. Bertrand, D. Besson, D. Z. Binder, G. Bindig, D. Bissok, M. Blaufuss, E. Blumenthal, J. Boersma, D. J. Bohaichuk, S. Bohm, C. Bose, D. Boeser, S. Botner, O. Brayeur, L. Brown, A. M. Bruijn, R. Brunner, J. Buitink, S. Carson, M. Casey, J. Casier, M. Chirkin, D. Christy, B. Clark, K. Clevermann, F. Cohen, S. Cowen, D. F. Silva, A. H. Cruz Danninger, M. Daughhetee, J. Davis, J. C. De Clercq, C. De Ridder, S. Desiati, P. de With, M. DeYoung, T. Diaz-Velez, J. C. Dunkman, M. Eagan, R. Eberhardt, B. Eisch, J. Ellsworth, R. W. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Fedynitch, A. Feintzeig, J. Feusels, T. Filimonov, K. Finley, C. Fischer-Wasels, T. Flis, S. Franckowiak, A. Franke, R. Frantzen, K. Fuchs, T. Gaisser, T. K. Gallagher, J. Gerhardt, L. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Golup, G. Goodman, J. A. Gora, D. Grant, D. Gross, A. Gurtner, M. Ha, C. Ismail, A. Haj Hallgren, A. Halzen, F. Hanson, K. Heereman, D. Heimann, P. Heinen, D. Helbing, K. Hellauer, R. Hickford, S. Hill, G. C. Hoffman, K. D. Hoffmann, R. Homeier, A. Hoshina, K. Huelsnitz, W. Hulth, P. O. Hultqvist, K. Hussain, S. Ishihara, A. Jacobi, E. Jacobsen, J. Japaridze, G. S. Jero, K. Jlelati, O. Kaminsky, B. Kappes, A. Karg, T. Karle, A. Kelley, J. L. Kiryluk, J. Kislat, F. Klaes, J. Klein, S. R. Koehne, J-H. Kohnen, G. Kolanoski, H. Koepke, L. Kopper, C. Kopper, S. Koskinen, D. J. Kowalski, M. Krasberg, M. Kroll, G. Kunnen, J. Kurahashi, N. Kuwabara, T. Labare, M. Landsman, H. Larson, M. J. Lesiak-Bzdak, M. Leute, J. Luenemann, J. Madsen, J. Maruyama, R. Mase, K. Matis, H. S. McNally, F. Meagher, K. Merck, M. Meszaros, P. Meures, T. Miarecki, S. Middell, E. Milke, N. Miller, J. Mohrmann, L. Montaruli, T. Morse, R. Nahnhauer, R. Naumann, U. Niederhausen, H. Nowicki, S. C. Nygren, D. R. Obertacke, A. Odrowski, S. Olivas, A. Olivo, M. O'Murchadha, A. Paul, L. Pepper, J. A. de los Heros, C. Perez Pfendner, C. Pieloth, D. Pirk, N. Posselt, J. Price, P. B. Przybylski, G. T. Raedel, L. Rawlins, K. Redl, P. Resconi, E. Rhode, W. Ribordy, M. Richman, M. Riedel, B. Rodrigues, J. P. Rott, C. Ruhe, T. Ruzybayev, B. Ryckbosch, D. Saba, S. M. Salameh, T. Sander, H-G. Santander, M. Sarkar, S. Schatto, K. Scheel, M. Scheriau, F. Schmidt, T. Schmitz, M. Schoenen, S. Schoeneberg, S. Schoenherr, L. Schoenwald, A. Schukraft, A. Schulte, L. Schulz, O. Seckel, D. Seo, S. H. Sestayo, Y. Seunarine, S. Sheremata, C. Smith, M. W. E. Soiron, M. Soldin, D. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stasik, A. Stezelberger, T. Stokstad, R. G. Stoessl, A. Strahler, E. A. Stroem, R. Sullivan, G. W. Taavola, H. Taboada, I. Tamburro, A. Ter-Antonyan, S. Tilav, S. Toale, P. A. Toscano, S. Usner, M. van der Drift, D. van Eijndhoven, N. Van Overloop, A. van Santen, J. Vehring, M. Voge, M. Vraeghe, M. Walck, C. Waldenmaier, T. Wallraff, M. Wasserman, R. Weaver, Ch. Wellons, M. Wendt, C. Westerhoff, S. Whitehorn, N. Wiebe, K. Wiebusch, C. H. Williams, D. R. Wissing, H. Wolf, M. Wood, T. R. Xu, C. Xu, D. L. Xu, X. W. Yanez, J. P. Yodh, G. Yoshida, S. Zarzhitsky, P. Ziemann, J. Zierke, S. Zilles, A. Zoll, M. TI Measurement of South Pole ice transparency with the IceCube LED calibration system SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE IceCube; South Pole ice; Optical properties; Photon propagation ID PERFORMANCE; ABSORPTION; SCATTERING AB The IceCube Neutrino Observatory, approximately 1 km(3) in size, is now complete with 86 strings deployed in the Antarctic ice. IceCube detects the Cherenkov radiation emitted by charged particles passing through or created in the ice. To realize the full potential of the detector, the properties of light propagation in the ice in and around the detector must be well understood. This report presents a new method of fitting the model of light propagation in the ice to a data set of in situ light source events collected with IceCube. The resulting set of derived parameters, namely the measured values of scattering and absorption coefficients vs. depth, is presented and a comparison of IceCube data with simulations based on the new model is shown. Published by Elsevier B.V. C1 [Bissok, M.; Blumenthal, J.; Euler, S.; Heimann, P.; Heinen, D.; Paul, L.; Raedel, L.; Scheel, M.; Schoenen, S.; Schoenherr, L.; Schukraft, A.; Soiron, M.; Vehring, M.; Wallraff, M.; Wiebusch, C. H.; Zierke, S.; Zilles, A.] Rhein Westfal TH Aachen, Phys Inst 3, D-52056 Aachen, Germany. [Aartsen, M. G.; Hill, G. C.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. [Rawlins, K.] Univ Alaska Anchorage, Dept Phys & Astron, Anchorage, AK 99508 USA. [Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Casey, J.; Daughhetee, J.; Taboada, I.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Casey, J.; Daughhetee, J.; Taboada, I.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Fazely, A. R.; Ter-Antonyan, S.; Xu, X. W.] Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Bay, R.; Binder, G.; Filimonov, K.; Gerhardt, L.; Ha, C.; Klein, S. R.; Miarecki, S.; Price, P. B.; van der Drift, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Binder, G.; Gerhardt, L.; Goldschmidt, A.; Ha, C.; Klein, S. R.; Matis, H. S.; Miarecki, S.; Nygren, D. R.; Przybylski, G. T.; Stezelberger, T.; Stokstad, R. G.; van der Drift, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Altmann, D.; de With, M.; Kappes, A.; Kolanoski, H.; Waldenmaier, T.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Tjus, J. Becker; Fedynitch, A.; Olivo, M.; Saba, S. M.; Schoeneberg, S.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. [Boeser, S.; Franckowiak, A.; Homeier, A.; Kowalski, M.; Schulte, L.; Stasik, A.; Usner, M.; Voge, M.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Bechet, S.; Bertrand, D.; Hanson, K.; Heereman, D.; Meures, T.; O'Murchadha, A.] Univ Libre Brussels, Fac Sci, B-1050 Brussels, Belgium. [Bose, D.; Brayeur, L.; Buitink, S.; Casier, M.; De Clercq, C.; Golup, G.; Kunnen, J.; Labare, M.; Miller, J.; Strahler, E. A.; van Eijndhoven, N.] Vrije Univ Brussel, Dienst ELEM, B-1050 Brussels, Belgium. [Ishihara, A.; Mase, K.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Adams, J.; Brown, A. M.; Hickford, S.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. [Berley, D.; Blaufuss, E.; Christy, B.; Ellsworth, R. W.; Goodman, J. A.; Hellauer, R.; Hoffman, K. D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Richman, M.; Schmidt, T.; Sullivan, G. W.; Wissing, H.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, C.; Rott, C.; Stamatikos, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, C.; Rott, C.; Stamatikos, M.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Beatty, J. J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Clevermann, F.; Frantzen, K.; Fuchs, T.; Koehne, J-H.; Milke, N.; Pieloth, D.; Rhode, W.; Ruhe, T.; Scheriau, F.; Schmitz, M.; Ziemann, J.] TU Dortmund Univ, Dept Phys, D-44221 Dortmund, Germany. [Bohaichuk, S.; Grant, D.; Nowicki, S. C.; Sheremata, C.; Wood, T. R.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. [Aguilar, J. A.; Montaruli, T.] Univ Geneva, Dept Phys Nucl & Corpusculaire, CH-1211 Geneva, Switzerland. [Abdou, Y.; Carson, M.; De Ridder, S.; Feusels, T.; Ismail, A. Haj; Jlelati, O.; Ryckbosch, D.; Van Overloop, A.; Vraeghe, M.] Univ Ghent, Dept Phys & Astron, B-9000 Ghent, Belgium. [Barwick, S. W.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Bruijn, R.; Cohen, S.; Ribordy, M.] Ecole Polytech Fed Lausanne, High Energy Phys Lab, CH-1015 Lausanne, Switzerland. [Besson, D. Z.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Abbasi, R.; Ahlers, M.; Auffenberg, J.; Baker, M.; BenZvi, S.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kelley, J. L.; Kopper, C.; Krasberg, M.; Kurahashi, N.; Landsman, H.; Maruyama, R.; McNally, F.; Merck, M.; Morse, R.; Riedel, B.; Rodrigues, J. P.; Santander, M.; Toscano, S.; van Santen, J.; Weaver, Ch.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Abbasi, R.; Ahlers, M.; Auffenberg, J.; Baker, M.; BenZvi, S.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kelley, J. L.; Kopper, C.; Krasberg, M.; Kurahashi, N.; Landsman, H.; Maruyama, R.; McNally, F.; Merck, M.; Morse, R.; Riedel, B.; Rodrigues, J. P.; Santander, M.; Toscano, S.; van Santen, J.; Weaver, Ch.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Wisconsin IceCube Particle Astrophys Ctr, Madison, WI 53706 USA. [Baum, V.; Eberhardt, B.; Koepke, L.; Kroll, G.; Luenemann, J.; Sander, H-G.; Schatto, K.; Wiebe, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Bernhard, A.; Gross, A.; Leute, J.; Odrowski, S.; Resconi, E.; Schulz, O.; Sestayo, Y.] Tech Univ Munich, D-85748 Garching, Germany. [Bai, X.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.; Xu, C.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bai, X.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.; Xu, C.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Madsen, J.; Seunarine, S.; Spiczak, G. M.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Bohm, C.; Danninger, M.; Finley, C.; Flis, S.; Hulth, P. O.; Hultqvist, K.; Seo, S. H.; Walck, C.; Wolf, M.; Zoll, M.] Stockholm Univ, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Bohm, C.; Danninger, M.; Finley, C.; Flis, S.; Hulth, P. O.; Hultqvist, K.; Seo, S. H.; Walck, C.; Wolf, M.; Zoll, M.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Kiryluk, J.; Lesiak-Bzdak, M.; Niederhausen, H.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Larson, M. J.; Pepper, J. A.; Toale, P. A.; Williams, D. R.; Xu, D. L.; Zarzhitsky, P.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Cowen, D. F.; Meszaros, P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Bell, M.; Clark, K.; Cowen, D. F.; DeYoung, T.; Dunkman, M.; Eagan, R.; Koskinen, D. J.; Meszaros, P.; Salameh, T.; Smith, M. W. E.; Wasserman, R.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Boersma, D. J.; Botner, O.; Hallgren, A.; de los Heros, C. Perez; Stroem, R.; Taavola, H.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Becker, K-H.; Bindig, D.; Fischer-Wasels, T.; Gurtner, M.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Posselt, J.; Soldin, D.] Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Ackermann, M.; Benabderrahmane, M. L.; Berdermann, J.; Berghaus, P.; Bernardini, E.; Brunner, J.; Silva, A. H. Cruz; Franke, R.; Gluesenkamp, T.; Gora, D.; Jacobi, E.; Kaminsky, B.; Karg, T.; Kislat, F.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Pirk, N.; Schoenwald, A.; Spiering, C.; Stoessl, A.; Yanez, J. P.] DESY, D-15735 Garching, Germany. [Montaruli, T.] Sezione Ist Nazl Fis Nucl, Dipartimento Fis, I-70126 Bari, Italy. RP Chirkin, D (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM dima@icecube.wisc.edu RI Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Taavola, Henric/B-4497-2011; Tjus, Julia/G-8145-2012; Wiebusch, Christopher/G-6490-2012; Auffenberg, Jan/D-3954-2014; Brunner, Juergen/G-3540-2015 OI Carson, Michael/0000-0003-0400-7819; Perez de los Heros, Carlos/0000-0002-2084-5866; Koskinen, David/0000-0002-0514-5917; Benabderrahmane, Mohamed Lotfi/0000-0003-4410-5886; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X; Beatty, James/0000-0003-0481-4952; Rott, Carsten/0000-0002-6958-6033; Taavola, Henric/0000-0002-2604-2810; Wiebusch, Christopher/0000-0002-6418-3008; Auffenberg, Jan/0000-0002-1185-9094; Ter-Antonyan, Samvel/0000-0002-5788-1369; Schukraft, Anne/0000-0002-9112-5479; Brunner, Juergen/0000-0002-5052-7236 FU U.S. National Science Foundation-Office of Polar Programs; U.S. National Science Foundation-Physics Division; University of Wisconsin Alumni Research Foundation; Grid Laboratory Of Wisconsin (GLOW) grid infrastructure at the University of Wisconsin, Madison; Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI) grid computing resources; National Science and Engineering Research Council of Canada; Swedish Research Council, Sweden; Swedish Polar Research Secretariat, Sweden; Swedish National Infrastructure for Computing (SNIC), Sweden; Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Germany; Deutsche Forschungsgemeinschaft (DFG), Germany; Helmholtz Alliance for Astroparticle Physics (HAP), Germany; Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO); FWO Odysseus programme; Flanders Institute to encourage scientific and technological research in industry (IWT); Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Japan Society for Promotion of Science (JSPS); Swiss National Science Foundation (SNSF), Switzerland FX We acknowledge the support from the following agencies: U.S. National Science Foundation-Office of Polar Programs, U.S. National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation, the Grid Laboratory Of Wisconsin (GLOW) grid infrastructure at the University of Wisconsin, Madison, the Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy, and National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; National Science and Engineering Research Council of Canada; Swedish Research Council, Swedish Polar Research Secretariat, Swedish National Infrastructure for Computing (SNIC), and Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), Helmholtz Alliance for Astroparticle Physics (HAP), Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO), FWO Odysseus programme, Flanders Institute to encourage scientific and technological research in industry (IWT), Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Japan Society for Promotion of Science (JSPS); the Swiss National Science Foundation (SNSF), Switzerland. NR 20 TC 44 Z9 44 U1 0 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 73 EP 89 DI 10.1016/j.nima.2013.01.054 PG 17 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300010 ER PT J AU Buzatu, A Warburton, A Krumnack, N Yao, WM AF Buzatu, Adrian Warburton, Andreas Krumnack, Nils Yao, Wei-Ming TI A novel in situ trigger combination method SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Trigger; Data acquisition; Trigger parametrization; Higgs boson; Collider experiment; CDF AB Searches for rare physics processes using particle detectors in high-luminosity colliding hadronic beam environments require the use of multi-level trigger systems to reject colossal background rates in real time. In analyses like the search for the Higgs boson, there is a need to maximize the signal acceptance by combining multiple different trigger chains when forming the offline data sample. In such statistically limited searches, datasets are often amassed over periods of several years, during which the trigger characteristics evolve and system performance can vary significantly. Reliable production cross-section measurements and upper limits must take into account a detailed understanding of the effective trigger inefficiency for every selected candidate event. We present as an example the complex situation of three trigger chains, based on missing energy and jet energy, that were combined in the context of the search for the Higgs (H) boson produced in association with a W boson at the Collider Detector at Fermilab (CDF). We briefly review the existing techniques for combining triggers, namely the inclusion, division, and exclusion methods. We introduce and describe a novel fourth in situ method whereby, for each candidate event, only the trigger chain with the highest a priori probability of selecting the event is considered. We compare the inclusion and novel in situ methods for signal event yields in the CDF WH search. This new combination method, by virtue of its scalability to large numbers of differing trigger chains and insensitivity to correlations between triggers, will benefit future long-running collider experiments, including those currently operating on the Large Hadron Collider. (C) 2013 Elsevier B.V. All rights reserved. C1 [Buzatu, Adrian; Warburton, Andreas] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Krumnack, Nils] Baylor Univ, Waco, TX 76798 USA. [Yao, Wei-Ming] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Buzatu, A (reprint author), Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. EM adrian.buzatu@mail.mcgill.ca; andreas.warburton@mcgill.ca; nils@fnal.gov; wmyao@lbl.gov RI Warburton, Andreas/N-8028-2013 OI Warburton, Andreas/0000-0002-2298-7315 FU Natural Sciences and Engineering Research Council of Canada; Universities Research Association, Inc. (USA); U.S. ATLAS Operations Program; U.S. Department of Energy FX The authors would like to acknowledge the invaluable support provided by the CDF collaboration and the staff from Fermi lab and their home institutions. Special thanks are due to P. Wilson of Fermi lab for comments on the manuscript. A. Buzatu and A. Warburton were supported by the Natural Sciences and Engineering Research Council of Canada and the Universities Research Association, Inc. (USA). The contributions of N. Krumnack and W. Yao were supported by the U.S. Department of Energy. N. Krumnack is currently supported by the U.S. ATLAS Operations Program. NR 6 TC 2 Z9 2 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 111 EP 120 DI 10.1016/j.nima.2013.01.034 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300015 ER PT J AU Grabas, H Obaid, R Oberla, E Frisch, H Genat, JF Northrop, R Tang, FK McGinnis, D Adams, B Wetstein, M AF Grabas, Herve Obaid, Razib Oberla, Eric Frisch, Henry Genat, Jean-Francois Northrop, Richard Tang, Fukun McGinnis, David Adams, Bernhard Wetstein, Matthew TI RF strip-line anodes for Psec large-area MCP-based photodetectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Photodetector; Anode; Microstrip; Microchannel plate; Analog bandwidth; Large-area detector ID MICROCHANNEL PLATE DETECTORS; ATOMIC LAYER DEPOSITION; READOUT; FILMS AB We have designed and tested economical large-area RF strip-line anodes made by silk-screening silver onto inexpensive plate glass, for use in microchannel plate photodetectors to provide measurements of time, position, integrated charge, and pulse waveform shapes. The 229-mm-long anodes are modular, and can be attached in series for economy in electronics channel-count. Measurements of the anode impedance, bandwidth and cross-talk due to inter-strip coupling are presented. The analog bandwidth, a key determinant of timing resolution, decreases from 1.6 GHz to 0.4 GHz as the anode length increases from 289 mm to 916 mm. (C) 2013 Elsevier B.V. All rights reserved. C1 [Grabas, Herve; Obaid, Razib; Oberla, Eric; Frisch, Henry; Genat, Jean-Francois; Northrop, Richard; Tang, Fukun] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [McGinnis, David] European Spoliat Source, Lund, Sweden. [Adams, Bernhard; Wetstein, Matthew] Argonne Natl Lab, Argonne, IL 60439 USA. RP Frisch, H (reprint author), Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. EM frisch@hep.uchicago.edu FU US Department of Energy, Office of Science, Office of Basic Energy Sciences; Office of High Energy Physics [DE-AC02-06CH11357]; University of Chicago by the National Science Foundation [PHY-1066014] FX The activities at Argonne National Laboratory were supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences and Office of High Energy Physics under contract DE-AC02-06CH11357, and at the University of Chicago by the National Science Foundation under Grant PHY-1066014. NR 31 TC 10 Z9 10 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 124 EP 131 DI 10.1016/j.nima.2013.01.055 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300017 ER PT J AU Bardayan, DW Ahn, S Blackmon, JC Burkhart, AJ Chae, KY Cizewski, JA Elson, J Hardy, S Kozub, RL Linhardt, L Manning, B Matos, M Pain, SD Sobotka, LG Smith, MS AF Bardayan, D. W. Ahn, S. Blackmon, J. C. Burkhart, A. J. Chae, K. Y. Cizewski, J. A. Elson, J. Hardy, S. Kozub, R. L. Linhardt, L. Manning, B. Matos, M. Pain, S. D. Sobotka, L. G. Smith, M. S. TI Construction and commissioning of the SuperORRUBA detector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Silicon detectors; Transfer reactions; Exotic beams ID RADIOACTIVE BEAMS; PHYSICS; ARRAY AB The SuperORRUBA (Oak Ridge Rutgers University Barrel Array) of double-sided silicon strip detectors has been constructed at the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge National Laboratory (ORNL). The array will primarily be used to study single-nucleon transfer reactions in inverse kinematics at exotic beam facilities. The detector exhibits good intrinsic energy resolution (similar to 25 key) and large solid-angle coverage over the polar angular range 55-125 degrees. The detector is now in routine use and has been used for several measurements at the HRIBF. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bardayan, D. W.; Chae, K. Y.; Pain, S. D.; Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Ahn, S.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Blackmon, J. C.; Linhardt, L.; Matos, M.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Burkhart, A. J.; Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Cizewski, J. A.; Manning, B.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Elson, J.; Sobotka, L. G.] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Hardy, S.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. RP Bardayan, DW (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM bardayandw@ornl.gov RI Pain, Steven/E-1188-2011 OI Pain, Steven/0000-0003-3081-688X FU U.S. Department of Energy (DOE) Office of Nuclear Physics [DE-AC05-00OR22725, DE-FG02-96ER40955, DE-FG02-96ER40983, DE-SC0001174, DE-FG02-87ER-40316]; National Nuclear Security Administration under the Stewardship Science Academic Alliance program through DOE [DE-FG52-08NA28552]; National Science Foundation FX The authors wish to thank K.L. Jones, W.A. Peters, and R.L. Varner for useful discussions. This work was supported in part by the U.S. Department of Energy (DOE) Office of Nuclear Physics under Contract Nos. DE-AC05-00OR22725 (ORNL), DE-FG02-96ER40955 (TTU), DE-FG02-96ER40983 and DE-SC0001174 (UT), DE-FG02-87ER-40316 (WU), the National Nuclear Security Administration under the Stewardship Science Academic Alliance program through DOE Cooperative Agreement No. DE-FG52-08NA28552 (Rutgers), and by the National Science Foundation (Rutgers). NR 28 TC 10 Z9 10 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 160 EP 165 DI 10.1016/j.nima.2013.01.035 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300021 ER PT J AU Lavelle, CM Liu, CY Stone, MB AF Lavelle, C. M. Liu, C-Y. Stone, M. B. TI Toward a new polyethylene scattering law determined using inelastic neutron scattering SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE MCNP; Neutron transport; Inelastic neutron scattering; Density of states; NJOY; Polyethylene ID PARTIALLY CRYSTALLINE POLYETHYLENE; FREQUENCY MOLECULAR-MODES; DEBYE-WALLER FACTOR; CROSS-SECTION; SOLID DEUTERIUM; MULTIPLE-SCATTERING; RESOLUTION FUNCTION; THERMAL MODERATOR; PERFORMANCE; SPECTRUM AB Monte Carlo neutron transport codes such as MCNP rely on accurate data for nuclear physics cross-ections to produce accurate results. At low energy, this takes the form of scattering laws based on the dynamic structure factor, S(Q,E). High density polyethylene (HDPE) is frequently employed as a neutron moderator at both high and low temperatures, however the only cross-sections available are for ambient temperatures (similar to 300 K), and the evaluation has not been updated in quite some time. In this paper we describe inelastic neutron scattering measurements on HDPE at 5 and 294 K which are used to improve the scattering law for HDPE. We review some of the past HDPE scattering laws, describe the experimental methods, and compare computations using these models to the measured S(Q,E). The total cross-section is compared to available data, and the treatment of the carbon secondary scatterer as a free gas is assessed. We also discuss the use of the measurement itself as a scattering law via the one phonon approximation. We show that a scattering law computed using a more detailed model for the Generalized Density of States (GDOS) compares more favorably to this experiment, suggesting that inelastic neutron scattering can play an important role in both the development and validation of new scattering laws for Monte Carlo work. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lavelle, C. M.; Liu, C-Y.] Indiana Univ, Dept Phys, Bloomington, IN 47408 USA. [Stone, M. B.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Lavelle, CM (reprint author), Johns Hopkins Univ, Appl Phys Lab, Baltimore, MD 21218 USA. EM chris.lavelle@jhuapl.edu RI Stone, Matthew/G-3275-2011; BL18, ARCS/A-3000-2012; OI Stone, Matthew/0000-0001-7884-9715; Lavelle, Christopher/0000-0001-8802-4434 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy FX The Research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. NR 70 TC 3 Z9 3 U1 2 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 21 PY 2013 VL 711 BP 166 EP 179 DI 10.1016/j.nima.2013.01.048 PG 14 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 135WL UT WOS:000318321300022 ER PT J AU Keskinbora, K Grevent, C Bechtel, M Weigand, M Goering, E Nadzeyka, A Peto, L Rehbein, S Schneider, G Follath, R Vila-Comamala, J Yan, HF Schutz, G AF Keskinbora, Kahraman Grevent, Corinne Bechtel, Michael Weigand, Markus Goering, Eberhard Nadzeyka, Achim Peto, Lloyd Rehbein, Stefan Schneider, Gerd Follath, Rolf Vila-Comamala, Joan Yan, Hanfei Schuetz, Gisela TI Ion beam lithography for Fresnel zone plates in X-ray microscopy SO OPTICS EXPRESS LA English DT Article ID RESOLVING POWER; HIGH-RESOLUTION; HIGH-EFFICIENCY; FABRICATION; EXPLORATION; SCIENCE; LASER AB Fresnel Zone Plates (FZP) are to date very successful focusing optics for X-rays. Established methods of fabrication are rather complex and based on electron beam lithography (EBL). Here, we show that ion beam lithography (IBL) may advantageously simplify their preparation. A FZP operable from the extreme UV to the limit of the hard X-ray was prepared and tested from 450 eV to 1500 eV. The trapezoidal profile of the FZP favorably activates its 2nd order focus. The FZP with an outermost zone width of 100 nm allows the visualization of features down to 61, 31 and 21 nm in the 1st, 2nd and 3rd order focus respectively. Measured efficiencies in the 1st and 2nd order of diffraction reach the theoretical predictions. (C) 2013 Optical Society of America C1 [Keskinbora, Kahraman; Grevent, Corinne; Bechtel, Michael; Weigand, Markus; Goering, Eberhard; Schuetz, Gisela] Max Planck Inst Intelligent Syst, D-70569 Stuttgart, Germany. [Nadzeyka, Achim; Peto, Lloyd] Raith GmbH, D-44263 Dortmund, Germany. [Rehbein, Stefan; Schneider, Gerd; Follath, Rolf] HZB Bessy II, D-12489 Berlin, Germany. [Vila-Comamala, Joan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Yan, Hanfei] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Keskinbora, K (reprint author), Max Planck Inst Intelligent Syst, Heisenbergstr 3, D-70569 Stuttgart, Germany. EM grevent@is.mpg.de RI Yan, Hanfei/F-7993-2011; Vila-Comamala, Joan/E-2106-2017 OI Yan, Hanfei/0000-0001-6824-0367; FU Department of Energy, Office of Basic Energy Sciences [DE-AC-02-98CH10886] FX The Authors thank Ulrike Eigenthaler and Dr. Michael Hirscher (Max-Planck-Institute for Intelligent Systems) for their support with the DualBeam, as well as Bernd Ludescher (Max-Planck- Institute for Intelligent Systems) for the gold layer preparation. In addition we want to thank Dr. Hermann Stoll (Max-Planck-Institute for Intelligent Systems), Janos Kirz and Tolek Tyliszczak (Advanced Light Source, Lawrence Berkeley National Laboratory) for the fruitful discussions. H. Yan would like to acknowledge the support by the Department of Energy, Office of Basic Energy Sciences under contract DE-AC-02-98CH10886. NR 48 TC 17 Z9 18 U1 0 U2 19 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 20 PY 2013 VL 21 IS 10 BP 11747 EP 11756 DI 10.1364/OE.21.011747 PG 10 WC Optics SC Optics GA 149RU UT WOS:000319339600012 PM 23736396 ER PT J AU Jones, AM DeRose, CT Lentine, AL Trotter, DC Starbuck, AL Norwood, RA AF Jones, Adam M. DeRose, Christopher T. Lentine, Anthony L. Trotter, Douglas C. Starbuck, Andrew L. Norwood, Robert A. TI Ultra-low crosstalk, CMOS compatible waveguide crossings for densely integrated photonic interconnection networks SO OPTICS EXPRESS LA English DT Article ID FRONT MATCHING METHOD; SILICON; CIRCUITS; TALK; INTERSECTIONS; LIGHT AB We explore the design space for optimizing CMOS compatible waveguide crossings on a silicon photonics platform. This paper presents simulated and experimental excess loss and crosstalk suppression data for vertically integrated silicon nitride over silicon-on-insulator waveguide crossings. Experimental results show crosstalk suppression exceeding. 49/-44 dB with simulation results as low as. 65/-60 dB for the TE/TM mode in a waveguide crossing with a 410 nm vertical gap. (C) 2013 Optical Society of America C1 [Jones, Adam M.; DeRose, Christopher T.; Lentine, Anthony L.; Trotter, Douglas C.; Starbuck, Andrew L.] Sandia Natl Labs, Appl Photon Microsyst, Albuquerque, NM 87123 USA. [Jones, Adam M.; Norwood, Robert A.] Univ Arizona, Coll Opt Sci, Tucson, AZ 85721 USA. RP Jones, AM (reprint author), Sandia Natl Labs, Appl Photon Microsyst, Albuquerque, NM 87123 USA. EM adajone@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; CIAN ERC [EEC-0812072] FX Sandia National Laboratories is a multi-program lab managed and operated by Sandia Corp., 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. R. A. Norwood acknowledges the support of the CIAN ERC under grant # EEC-0812072. NR 32 TC 24 Z9 24 U1 0 U2 19 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 20 PY 2013 VL 21 IS 10 BP 12002 EP 12013 DI 10.1364/OE.21.012002 PG 12 WC Optics SC Optics GA 149RU UT WOS:000319339600038 PM 23736422 ER PT J AU Lereu, AL Farahi, RH Tetard, L Enoch, S Thundat, T Passian, A AF Lereu, A. L. Farahi, R. H. Tetard, L. Enoch, S. Thundat, T. Passian, A. TI Plasmon assisted thermal modulation in nanoparticles SO OPTICS EXPRESS LA English DT Article ID MULTIPLE-PHOTON ENERGIES; THIN METAL-FILMS; OPTICAL-ABSORPTION; HEAT-TRANSFER; RAMAN-SPECTROSCOPY; NANOSTRUCTURES; GOLD; NANOSCALE; DYNAMICS; CANCER AB Single-particle interactions hold the promise of nanometer-scale devices in areas such as data communications and storage, nanolithography, waveguides, renewable energy and therapeutics. We propose that the collective electronic properties possessed by noble metal nanoparticles may be exploited for device actuation via the unapparent mechanism of plasmon-assisted heat generation and flux. The temperature dependence of the dielectric function and the thermal transport properties of the particles play the central role in the feasibility of the thermally-actuated system, however the behavior of these thermoplasmonic processes is unclear. We experimentally and computationally analyzed modulation via thermoplasmonic processes on a test system of gold (Au) nano-islands. Modulation and energy transport in discontinuous domains exhibited quantitatively different characteristics compared to thin films. The results have implications for all surface plasmon based nano-devices where inevitable small-scale thermal processes are present. (C) 2013 Optical Society of America C1 [Lereu, A. L.; Farahi, R. H.; Tetard, L.; Passian, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lereu, A. L.; Enoch, S.] Univ Aix Marseille, Inst Fresnel, CNRS, F-13013 Marseille, France. [Farahi, R. H.; Passian, A.] Univ Tennessee, Dept Chem & Bimol Engn, Knoxville, TN 37996 USA. [Thundat, T.] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2V4, Canada. [Passian, A.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. RP Lereu, AL (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM passianan@ornl.gov RI ENOCH, Stefan/K-4339-2016; Lereu, Aude/P-6414-2016 OI ENOCH, Stefan/0000-0003-0335-726X; Lereu, Aude/0000-0001-7390-7832 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; UT-Battelle, LLC, for the U.S. Department of Energy [DE-AC05-0096OR22725]; CNRS; Aix-Marseille Universite FX Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-0096OR22725. The Fresnel Institute authors acknowledge supports from the CNRS and Aix-Marseille Universite. NR 73 TC 10 Z9 10 U1 4 U2 48 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 20 PY 2013 VL 21 IS 10 BP 12145 EP 12158 DI 10.1364/OE.21.012145 PG 14 WC Optics SC Optics GA 149RU UT WOS:000319339600051 PM 23736435 ER PT J AU Kearney, SP Scoglietti, DJ Kliewer, CJ AF Kearney, Sean P. Scoglietti, Daniel J. Kliewer, Christopher J. TI Hybrid femtosecond/picosecond rotational coherent anti-Stokes Raman scattering temperature and concentration measurements using two different picosecond-duration probes SO OPTICS EXPRESS LA English DT Article ID GAS-PHASE THERMOMETRY; SINGLE-SHOT THERMOMETRY; DUAL-PUMP CARS; FLAMES; N-2; SUPPRESSION; SPECTROSCOPY; GENERATION; PRESSURE; AIR AB A hybrid fs/ps pure-rotational CARS scheme is characterized in furnace-heated air at temperatures from 290 to 800 K. Impulsive femtosecond excitation is used to prepare a rotational Raman coherence that is probed with a ps-duration beam generated from an initially broadband fs pulse that is bandwidth limited using air-spaced Fabry-Perot etalons. CARS spectra are generated using 1.5-and 7.0-ps duration probe beams with corresponding coarse and narrow spectral widths. The spectra are fitted using a simple phenomenological model for both shot-averaged and single-shot measurements of temperature and oxygen mole fraction. Our single-shot temperature measurements exhibit high levels of precision and accuracy when the spectrally coarse 1.5-ps probe beam is used, demonstrating that high spectral resolution is not required for thermometry. An initial assessment of concentration measurements in air is also provided, with best results obtained using the higher resolution 7.0-ps probe. This systematic assessment of the hybrid CARS technique demonstrates its utility for practical application in low-temperature gas-phase systems. (C)2013 Optical Society of America C1 [Kearney, Sean P.; Scoglietti, Daniel J.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. [Kliewer, Christopher J.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Kearney, SP (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM spkearn@sandia.gov RI Kliewer, Christopher/E-4070-2010 OI Kliewer, Christopher/0000-0002-2661-1753 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors recognize Terry Meyer and Joe Miller of Iowa State University for productive discussions on fs/ps CARS approaches. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 27 TC 14 Z9 14 U1 3 U2 40 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 20 PY 2013 VL 21 IS 10 BP 12327 EP 12339 DI 10.1364/OE.21.012327 PG 13 WC Optics SC Optics GA 149RU UT WOS:000319339600067 PM 23736451 ER PT J AU Loh, ND Starodub, D Lomb, L Hampton, CY Martin, AV Sierra, RG Barty, A Aquila, A Schulz, J Steinbrener, J Shoeman, RL Kassemeyer, S Bostedt, C Bozek, J Epp, SW Erk, B Hartmann, R Rolles, D Rudenko, A Rudek, B Foucar, L Kimmel, N Weidenspointner, G Hauser, G Holl, P Pedersoli, E Liang, MN Hunter, MS Gumprecht, L Coppola, N Wunderer, C Graafsma, H Maia, FRNC Ekeberg, T Hantke, M Fleckenstein, H Hirsemann, H Nass, K White, TA Tobias, HJ Farquar, GR Benner, WH Hau-Riege, S Reich, C Hartmann, A Soltau, H Marchesini, S Bajt, S Barthelmess, M Strueder, L Ullrich, J Bucksbaum, P Frank, M Schlichting, I Chapman, HN Bogan, MJ AF Loh, N. Duane Starodub, Dmitri Lomb, Lukas Hampton, Christina Y. Martin, Andrew V. Sierra, Raymond G. Barty, Anton Aquila, Andrew Schulz, Joachim Steinbrener, Jan Shoeman, Robert L. Kassemeyer, Stephan Bostedt, Christoph Bozek, John Epp, Sascha W. Erk, Benjamin Hartmann, Robert Rolles, Daniel Rudenko, Artem Rudek, Benedikt Foucar, Lutz Kimmel, Nils Weidenspointner, Georg Hauser, Guenter Holl, Peter Pedersoli, Emanuele Liang, Mengning Hunter, Mark S. Gumprecht, Lars Coppola, Nicola Wunderer, Cornelia Graafsma, Heinz Maia, Filipe R. N. C. Ekeberg, Tomas Hantke, Max Fleckenstein, Holger Hirsemann, Helmut Nass, Karol White, Thomas A. Tobias, Herbert J. Farquar, George R. Benner, W. Henry Hau-Riege, Stefan Reich, Christian Hartmann, Andreas Soltau, Heike Marchesini, Stefano Bajt, Sasa Barthelmess, Miriam Strueder, Lothar Ullrich, Joachim Bucksbaum, Philip Frank, Matthias Schlichting, Ilme Chapman, Henry N. Bogan, Michael J. TI Sensing the wavefront of x-ray free-electron lasers using aerosol spheres SO OPTICS EXPRESS LA English DT Article AB Characterizing intense, focused x-ray free electron laser (FEL) pulses is crucial for their use in diffractive imaging. We describe how the distribution of average phase tilts and intensities on hard x-ray pulses with peak intensities of 1021 W/m(2) can be retrieved from an ensemble of diffraction patterns produced by 70 nm-radius polystyrene spheres, in a manner that mimics wavefront sensors. Besides showing that an adaptive geometric correction may be necessary for diffraction data from randomly injected sample sources, our paper demonstrates the possibility of collecting statistics on structured pulses using only the diffraction patterns they generate and highlights the imperative to study its impact on single-particle diffractive imaging. (C) 2013 Optical Society of America C1 [Loh, N. Duane; Starodub, Dmitri; Hampton, Christina Y.; Sierra, Raymond G.; Bucksbaum, Philip; Bogan, Michael J.] PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Lomb, Lukas; Steinbrener, Jan; Shoeman, Robert L.; Kassemeyer, Stephan; Foucar, Lutz; Schlichting, Ilme] Max Planck Inst Med Res, D-69120 Heidelberg, Germany. [Martin, Andrew V.] Univ Melbourne, Sch Phys, ARC Ctr Excellence Coherent Xray Sci, Melbourne, Vic 3010, Australia. [Barty, Anton; Liang, Mengning; Gumprecht, Lars; Nass, Karol; White, Thomas A.; Chapman, Henry N.] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany. [Aquila, Andrew; Schulz, Joachim; Coppola, Nicola] European XFEL GmbH, D-22607 Hamburg, Germany. [Bostedt, Christoph; Bozek, John] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Epp, Sascha W.; Erk, Benjamin; Rolles, Daniel; Rudenko, Artem; Rudek, Benedikt; Foucar, Lutz] CFEL, Max Planck Adv Study Grp, D-22607 Hamburg, Germany. [Hartmann, Robert; Holl, Peter; Hartmann, Andreas] PNSensor GmbH, D-80803 Munich, Germany. [Kimmel, Nils; Weidenspointner, Georg; Hauser, Guenter; Strueder, Lothar] Max Planck Inst Halbleiterlabor, D-81739 Munich, Germany. [Weidenspointner, Georg; Hauser, Guenter] Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. [Pedersoli, Emanuele] Elettra Sincrotrone Trieste, I-34149 Trieste, Italy. [Hunter, Mark S.; Farquar, George R.; Benner, W. Henry; Hau-Riege, Stefan; Frank, Matthias] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Wunderer, Cornelia; Graafsma, Heinz; Hirsemann, Helmut; Bajt, Sasa; Barthelmess, Miriam] DESY, Photon Sci, D-22607 Hamburg, Germany. [Maia, Filipe R. N. C.; White, Thomas A.; Marchesini, Stefano] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ekeberg, Tomas; Hantke, Max] Uppsala Univ, Lab Mol Biophys, SE-75124 Uppsala, Sweden. [Tobias, Herbert J.] Cornell Univ, Div Nutr Sci, Ithaca, NY 14853 USA. [Ullrich, Joachim] Phys Tech Bundesanstalt, D-38116 Braunschweig, Germany. RP Loh, ND (reprint author), PULSE Inst, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM duaneloh@slac.stanford.edu RI Rudenko, Artem/C-7412-2009; Rocha Neves Couto Maia, Filipe/C-3146-2014; Bozek, John/E-9260-2010; Barty, Anton/K-5137-2014; Frank, Matthias/O-9055-2014; Schlichting, Ilme/I-1339-2013; Bajt, Sasa/G-2228-2010; Loh, Duane/I-7371-2013; Chapman, Henry/G-2153-2010; Rudek, Benedikt/A-5100-2017 OI graafsma, heinz/0000-0003-2304-667X; Epp, Sascha/0000-0001-6366-9113; MARTIN, ANDREW/0000-0003-3704-1829; Rudenko, Artem/0000-0002-9154-8463; Rocha Neves Couto Maia, Filipe/0000-0002-2141-438X; Bozek, John/0000-0001-7486-7238; Barty, Anton/0000-0003-4751-2727; Loh, Duane/0000-0002-8886-510X; Chapman, Henry/0000-0002-4655-1743; FU Human Frontier Science Program; Geosciences; AMOS program within the Chemical Sciences; Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. DOE; DOE through the SLAC Laboratory Directed Research and Development Program; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; CBST at UC [PHY 0120999] FX Experiments were carried out at the LCLS, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy (DOE), Office of Basic Energy Sciences. We acknowledge support by the following: Human Frontier Science Program (N.D.L., M.J.B.); AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. DOE (N.D.L., R.G. S., C.Y.H., D.S., and M.J.B.); DOE through the SLAC Laboratory Directed Research and Development Program and by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344; the Max Planck Society for funding the development and operation of the CAMP instrument within the ASG at CFEL; the Hamburg Ministry of Science and Research and Joachim Herz Stiftung as part of the Hamburg Initiative for Excellence in Research (LEXI); the Hamburg School for Structure and Dynamics in Infection; CBST at UC under Cooperative Agreement No. PHY 0120999. Lawrence Livermore National Laboratory (LLNL) is operated by Lawrence Livermore National Security (LLC) for the U.S. DOE, National Nuclear Security Administration under Contract DE-AC52-07NA27344. Work by LLNL has been supported, in part, by University of California Laboratory Fee grant 09-LR-05-118036-BARA. We thank the staff of the LCLS for their support in carrying out these experiments. We also acknowledge support from the Swedish Research Council, the European Research Council, Knut och Alice Wallenbergs Stiftelse, and the DFG Cluster of Excellence at the Munich Centre for Advanced Photonics. The Max Planck Advanced Study Group at CFEL acknowledges technical support by R. Andritschke, K. Gartner, O. Halker, S. Herrmann, A. Homke, Ch. Kaiser, K.-U. K " uhnel, W. Leitenberger, D. Miessner, D. Pietschner, M. Porro, R. Richter, G. Schaller, C. Schmidt, F. Schopper, C.-D. Schroter, Ch. Thamm, A. Walenta, A. Ziegler, and H. Gorke. N. D. Loh thanks G. J. Williams for his insights. NR 22 TC 8 Z9 9 U1 0 U2 32 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 20 PY 2013 VL 21 IS 10 BP 12385 EP 12394 DI 10.1364/OE.21.012385 PG 10 WC Optics SC Optics GA 149RU UT WOS:000319339600072 PM 23736456 ER PT J AU Messerly, MJ Pax, PH Dawson, JW Beach, RJ Heebner, JE AF Messerly, Michael J. Pax, Paul H. Dawson, Jay W. Beach, Raymond J. Heebner, John E. TI Field-flattened, ring-like propagation modes SO OPTICS EXPRESS LA English DT Article ID FIBERS; AREA; DESIGN; LASERS AB We present a method for designing optical fibers that support field-flattened, ring-like higher order modes, and show that the effective and group indices of its modes can be tuned by adjusting the widths of the guide's field-flattened layers or the average index of certain groups of layers. The approach provides a path to fibers that have simultaneously large mode areas and large separations between the propagation constants of their modes. (C)2013 Optical Society of America C1 [Messerly, Michael J.; Pax, Paul H.; Dawson, Jay W.; Beach, Raymond J.; Heebner, John E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Messerly, MJ (reprint author), Lawrence Livermore Natl Lab, L-491,POB 808, Livermore, CA 94551 USA. EM messerly2@LLNL.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 13 TC 4 Z9 4 U1 0 U2 11 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 20 PY 2013 VL 21 IS 10 BP 12683 EP 12698 DI 10.1364/OE.21.012683 PG 16 WC Optics SC Optics GA 149RU UT WOS:000319339600104 PM 23736488 ER PT J AU Alvine, KJ Bernacki, BE Bennett, WD Edwards, DJ Mendoza, A Suter, JD AF Alvine, K. J. Bernacki, B. E. Bennett, W. D. Edwards, D. J. Mendoza, A. Suter, J. D. TI Optical response of oriented and highly anisotropic subwavelength metallic nanostructure arrays SO APPLIED PHYSICS LETTERS LA English DT Article ID NEGATIVE-INDEX METAMATERIALS; IMPRINT LITHOGRAPHY; REFRACTIVE-INDEX; NANOPARTICLES; FREQUENCIES; LIGHT AB Here we describe the optical response of highly anisotropic subwavelength coatings with Au structures based on the open-ring-resonator and fabricated via nanoimprint lithography and metal sputtering. This approach allows fabrication of dense arrays of oriented nanostructures over large areas with a resonance in the visible wavelength range. Nanostructures are wire-like, with a nanoscale L-shaped cross section approximately 70 nm in width. The coatings exhibit a resonant transmission response that is highly angle and polarization dependent. Experimental results are presented along with complementary numerical modeling results predicting the resonance shift with corresponding changes in fabrication parameters. (C) 2013 AIP Publishing LLC. C1 [Alvine, K. J.; Bernacki, B. E.; Bennett, W. D.; Edwards, D. J.; Mendoza, A.; Suter, J. D.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Alvine, KJ (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM kyle.alvine@pnnl.gov OI Suter, Jonathan/0000-0001-5709-6988 FU DOE [DE-AC05-76RL01830]; DOE Energy Efficiency & Renewable Energy Buildings Technologies Office; PNNL; Department of Energy's Office of Biological and Environmental Research FX This research was performed at the Pacific Northwest National Laboratory (PNNL) managed under DOE Contract No. DE-AC05-76RL01830. The authors gratefully acknowledge support from the DOE Energy Efficiency & Renewable Energy Buildings Technologies Office. The authors also gratefully acknowledge the use of capability and equipment developed with Laboratory Directed Research and Development Program and UAFF Program funding of PNNL. A portion of the 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 PNNL. Assistance by S. E. Sanborn is gratefully acknowledged. NR 42 TC 3 Z9 3 U1 1 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 20 PY 2013 VL 102 IS 20 AR 201115 DI 10.1063/1.4807031 PG 5 WC Physics, Applied SC Physics GA 167GK UT WOS:000320619300015 ER PT J AU Ma, BH Hu, ZQ Liu, SS Tong, S Narayanan, M Koritala, RE Balachandran, U AF Ma, Beihai Hu, Zhongqiang Liu, Shanshan Tong, Sheng Narayanan, Manoj Koritala, Rachel E. Balachandran, Uthamalingam TI Temperature-dependent dielectric nonlinearity of relaxor ferroelectric Pb0.92La0.08Zr0.52Ti0.48O3 thin films SO APPLIED PHYSICS LETTERS LA English DT Article ID DOMAIN-WALL; PIEZOELECTRIC CERAMICS; PERMITTIVITY; BEHAVIOR; PB(ZR AB Rayleigh analysis has been used to investigate the temperature dependence of the dielectric response of relaxor ferroelectric Pb0.92La0.08Zr0.52Ti0.48O3 films grown on platinized silicon substrates by chemical solution deposition. The irreversible contribution to dielectric permittivity maximizes at 50 degrees C and decreases with further temperature increase; while the intrinsic/reversible contribution is weakly dependent on temperature. The relaxor ferroelectric transition temperature T-m increases from 160 degrees C to 172 degrees C when the frequency increases from 1 kHz to 100 kHz. The dielectric nonlinearity decreases with temperature: falling from 0.012 cm/kV at room temperature to 0.005 cm/kV at 225 degrees C in tests at 1 kHz. (C) 2013 AIP Publishing LLC. C1 [Ma, Beihai; Hu, Zhongqiang; Liu, Shanshan; Narayanan, Manoj; Balachandran, Uthamalingam] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Tong, Sheng; Koritala, Rachel E.] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA. RP Ma, BH (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bma@anl.gov RI Hu, Zhongqiang/I-2528-2012; Tong, Sheng/A-2129-2011; Ma, Beihai/I-1674-2013 OI Hu, Zhongqiang/0000-0002-7534-0427; Tong, Sheng/0000-0003-0355-7368; Ma, Beihai/0000-0003-3557-2773 FU U.S. Department of Energy, Vehicle Technologies Program [DE-AC02-06CH11357]; U.S. Department of Energy Office of Science Laboratory by UChicago Argonne, LLC [DE-AC02-06CH11357] FX This work was funded by the U.S. Department of Energy, Vehicle Technologies Program, under Contract No. DE-AC02-06CH11357. The electron microscopy was accomplished at the Electron Microscopy Center at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 28 TC 6 Z9 6 U1 4 U2 42 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 20 PY 2013 VL 102 IS 20 AR 202901 DI 10.1063/1.4807665 PG 5 WC Physics, Applied SC Physics GA 167GK UT WOS:000320619300059 ER PT J AU Masingboon, C Eknapakul, T Suwanwong, S Buaphet, P Nakajima, H Mo, SK Thongbai, P King, PDC Maensiri, S Meevasana, W AF Masingboon, C. Eknapakul, T. Suwanwong, S. Buaphet, P. Nakajima, H. Mo, S. -K. Thongbai, P. King, P. D. C. Maensiri, S. Meevasana, W. TI Anomalous change in dielectric constant of CaCu3Ti4O12 under violet-to-ultraviolet irradiation SO APPLIED PHYSICS LETTERS LA English DT Article ID COPPER-TITANATE; SRTIO3; CERAMICS; SURFACE; ORIGIN AB The influence of light illumination on the dielectric constant of CaCu3Ti4O12 (CCTO) polycrystals is studied in this work. When exposed to 405-nm laser light, a reversible enhancement in the room temperature capacitance as high as 22% was observed, suggesting application of light-sensitive capacitance devices. To uncover the microscopic mechanisms mediating this change, we performed electronic structure measurements, using photoemission spectroscopy, and measured the electrical conductivity of the CCTO samples under different conditions of light exposure and oxygen partial pressure. Together, these results suggest that the large capacitance enhancement is driven by oxygen vacancies induced by the irradiation. (C) 2013 AIP Publishing LLC. C1 [Masingboon, C.; Eknapakul, T.; Suwanwong, S.; Buaphet, P.; Maensiri, S.; Meevasana, W.] Suranaree Univ Technol, Sch Phys, Inst Sci, Nakhon Ratchasima 30000, Thailand. [Masingboon, C.] Kasetsart Univ, Fac Sci & Engn, Sakon Nakhon 47000, Thailand. [Nakajima, H.] Synchrotron Light Res Inst, Nakhon Ratchasima 30000, Thailand. [Mo, S. -K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Thongbai, P.] Khon Kaen Univ, Dept Phys, Khon Kaen 40000, Thailand. [King, P. D. C.] Univ St Andrews, SUPA, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. [King, P. D. C.] Cornell Nanoscale Sci, Kavli Inst, Ithaca, NY 14853 USA. [Maensiri, S.; Meevasana, W.] CHE, Thailand Ctr Excellence Phys, Bangkok 10400, Thailand. [Maensiri, S.; Meevasana, W.] Suranaree Univ Technol, NANOTEC SUT Ctr Excellence Adv Funct Nanomat, Nakhon Ratchasima 30000, Thailand. RP Meevasana, W (reprint author), Suranaree Univ Technol, Sch Phys, Inst Sci, Nakhon Ratchasima 30000, Thailand. EM worawat@g.sut.ac.th RI King, Philip/D-3809-2014; Mo, Sung-Kwan/F-3489-2013 OI King, Philip/0000-0002-6523-9034; Mo, Sung-Kwan/0000-0003-0711-8514 FU Higher Education Research Promotion and National Research University Project of Thailand; Office of the Higher Education Commission; Suranaree University of Technology; US DoE, Office of Basic Energy Science [DE-AC02-05CH11231] FX We acknowledge M. Unruan, R. Yimnirun, and R. Pattanakun for helpful discussions and assistance with the experiment. This work was supported by the Higher Education Research Promotion and National Research University Project of Thailand, Office of the Higher Education Commission and Suranaree University of Technology. S.K.M. acknowledges the support of ALS from US DoE, Office of Basic Energy Science under Contract No. DE-AC02-05CH11231. NR 35 TC 3 Z9 3 U1 1 U2 41 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 20 PY 2013 VL 102 IS 20 AR 202903 DI 10.1063/1.4807741 PG 5 WC Physics, Applied SC Physics GA 167GK UT WOS:000320619300061 ER PT J AU Nath, P Chandrana, CK Dunkerley, D Neal, JA Platts, D AF Nath, P. Chandrana, C. K. Dunkerley, D. Neal, J. A. Platts, D. TI The "Shim-a-ring" magnet: Configurable static magnetic fields using a ring magnet with a concentric ferromagnetic shim SO APPLIED PHYSICS LETTERS LA English DT Article ID SENSOR; DESIGN AB We introduce a permanent magnet assembly that can be configured to obtain uniform, gradient, or tunable field distribution. The design is composed of a single ring shaped permanent magnet and a concentric ferromagnetic shim. Magnetic field is configured by changing the shape of the air gap inside the ring magnet. Circular cross-section produces up to 0.54 T uniform field, whereas rectangular or triangular cross-sections result in gradient magnetic field distributions. Tunable field from a given ring magnet is obtained by changing the thickness of the ferromagnetic shim or the spacing between the shim and the permanent magnet. (C) 2013 AIP Publishing LLC. C1 [Nath, P.; Chandrana, C. K.; Dunkerley, D.; Neal, J. A.; Platts, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nath, P (reprint author), Los Alamos Natl Lab, P-21, Los Alamos, NM 87545 USA. EM pulakn@lanl.gov OI Platts, David/0000-0002-4788-1584 FU Los Alamos National Laboratory's Laboratory Directed Research and Development (LDRD) program [20110166ER] FX This work was supported by Los Alamos National Laboratory's Laboratory Directed Research and Development (LDRD) program (Project No. 20110166ER). NR 13 TC 4 Z9 6 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 20 PY 2013 VL 102 IS 20 AR 202409 DI 10.1063/1.4807778 PG 4 WC Physics, Applied SC Physics GA 167GK UT WOS:000320619300054 ER PT J AU Pershin, YV Slipko, VA Roy, D Sinitsyn, NA AF Pershin, Yuriy V. Slipko, Valeriy A. Roy, Dibyendu Sinitsyn, Nikolai A. TI Two-beam spin noise spectroscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID CONDUCTION ELECTRONS; SEMICONDUCTORS; RELAXATION AB We propose a method of two-beam spin noise spectroscopy to test the spin transport at equilibrium via analysis of correlations between time-shifted spin fluctuations at different space locations. This method allows one to determine the strength of spin-orbit interaction and spin relaxation time and separate spin noise of conducting electrons from the background noise of localized electrons. We formulate a theory of two-beam spin noise spectroscopy in semiconductor wires with Bychkov-Rashba spin-orbit interaction taking into account several possible spin relaxation channels and finite size of laser beams. Our theory predicts a peak shift with respect to the Larmor frequency to higher or lower frequencies depending on the strength of spin orbit interaction and distance between the beams. The two-beam spin noise spectroscopy could find applications in experimental studies of semiconductors, emergent materials, and many other systems. (C) 2013 AIP Publishing LLC. C1 [Pershin, Yuriy V.; Slipko, Valeriy A.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Pershin, Yuriy V.; Slipko, Valeriy A.] Univ S Carolina, USC Nanoctr, Columbia, SC 29208 USA. [Slipko, Valeriy A.] Kharkov Natl Univ, Dept Phys & Technol, UA-61077 Kharkov, Ukraine. [Roy, Dibyendu; Sinitsyn, Nikolai A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Roy, Dibyendu] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Pershin, YV (reprint author), Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. EM pershin@physics.sc.edu RI Roy, Dibyendu/D-3286-2013 OI Roy, Dibyendu/0000-0002-8966-8677 FU University of South Carolina ASPIRE [13070-12-29502]; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work has been partially supported by the University of South Carolina ASPIRE Grant No. 13070-12-29502. The work at LANL 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-AC52-06NA25396. NR 23 TC 12 Z9 12 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 20 PY 2013 VL 102 IS 20 AR 202405 DI 10.1063/1.4807011 PG 4 WC Physics, Applied SC Physics GA 167GK UT WOS:000320619300050 ER PT J AU Galicher, R Marois, C Zuckerman, B Macintosh, B AF Galicher, Raphael Marois, Christian Zuckerman, B. Macintosh, Bruce TI FOMALHAUT b: INDEPENDENT ANALYSIS OF THE HUBBLE SPACE TELESCOPE PUBLIC ARCHIVE DATA SO ASTROPHYSICAL JOURNAL LA English DT Article DE methods: data analysis; methods: observational; planetary systems; techniques: high angular resolution; techniques: image processing ID SIZE DISTRIBUTION; DEBRIS DISK; KUIPER-BELT; HR 8799; PLANET; IMAGES; DUST; SYSTEM; CAMERA; VEGA AB The nature and even the existence of a putative planet-mass companion ("Fomalhaut b") to Fomalhaut has been debated since 2008. In the present paper, we reanalyze the multi-epoch ACS/STIS/WFC3 Hubble Space Telescope (HST) optical/near-infrared images on which the discovery and some other claims were based. We confirm that the HST images do reveal an object in orbit around Fomalhaut, but the detailed results from our analysis differ in some ways from previous discussions. In particular, we do not confirm flux variability over a two-year interval at 0.6 mu m wavelength and we detect Fomalhaut b for the first time at the short wavelength of 0.43 mu m. We find that the HST image of Fomalhaut b at 0.8 mu m may be extended beyond the point-spread function. We cannot determine from our astrometry if Fomalhaut b will cross or not the dust ring. The optical through mid-infrared spectral energy distribution (SED) of Fomalhaut b cannot be explained as due to direct or scattered radiation from a massive planet. We consider two models to explain the SED: (1) a large circumplanetary disk around an unseen planet and (2) the aftermath of a collision during the past 50-150 yr of two Kuiper-Belt-like objects of radii similar to 50 km. C1 [Galicher, Raphael; Marois, Christian] Natl Res Council Canada, Dominion Astrophys Observ, Victoria, BC V9E 2E7, Canada. [Galicher, Raphael] Univ Montreal, Dept Phys, Montreal, PQ H3C 3J7, Canada. [Galicher, Raphael] Univ Paris Diderot, UPMC, CNRS, Observ Paris,LESIA, F-92210 Meudon, France. [Zuckerman, B.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Macintosh, Bruce] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Galicher, R (reprint author), Natl Res Council Canada, Dominion Astrophys Observ, 5071 W Saanich Rd, Victoria, BC V9E 2E7, Canada. EM raphael.galicher@obspm.fr FU NASA FX The authors are grateful to the ACS team, John Blakeslee, and Travis Barman for helpful discussions. The authors also thank Paul Kalas and James Graham for useful communications on their analysis, and the anonymous referee for useful suggestions. Partial financial support for this research came from a NASA grant to UCLA. NR 32 TC 25 Z9 25 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAY 20 PY 2013 VL 769 IS 1 AR 42 DI 10.1088/0004-637X/769/1/42 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 157NL UT WOS:000319904500042 ER PT J AU Viallet, M Meakin, C Arnett, D Mocak, M AF Viallet, Maxime Meakin, Casey Arnett, David Mocak, Miroslav TI TURBULENT CONVECTION IN STELLAR INTERIORS. III. MEAN-FIELD ANALYSIS AND STRATIFICATION EFFECTS SO ASTROPHYSICAL JOURNAL LA English DT Article DE convection; hydrodynamics; stars: evolution; stars: interiors; turbulence ID ARBITRARY ROTATION LAWS; COMPRESSIBLE CONVECTION; SOLAR CONVECTION; ANELASTIC APPROXIMATION; MATHEMATICAL TECHNIQUES; SURFACE CONVECTION; PULSATING STARS; PLUME DYNAMICS; KINETIC-ENERGY; MAIN-SEQUENCE AB We present three-dimensional implicit large eddy simulations of the turbulent convection in the envelope of a 5 M-circle dot red giant star and in the oxygen-burning shell of a 23 M-circle dot supernova progenitor. The numerical models are analyzed in the framework of one-dimensional Reynolds-Averaged Navier-Stokes equations. The effects of pressure fluctuations are more important in the red giant model, owing to larger stratification of the convective zone. We show how this impacts different terms in the mean-field equations. We clarify the driving sources of kinetic energy, and show that the rate of turbulent dissipation is comparable to the convective luminosity. Although our flows have low Mach numbers and are nearly adiabatic, our analysis is general and can be applied to photospheric convection as well. The robustness of our analysis of turbulent convection is supported by the insensitivity of the mean-field balances to linear mesh resolution. We find robust results for the turbulent convection zone and the stable layers in the oxygen-burning shell model, and robust results everywhere in the red giant model, but the mean fields are not well converged in the narrow boundary regions (which contain steep gradients) in the oxygen-burning shell model. This last result illustrates the importance of unresolved physics at the convective boundary, which governs the mixing there. C1 [Viallet, Maxime] Univ Exeter, Exeter EX4 4QL, Devon, England. [Viallet, Maxime] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Meakin, Casey; Mocak, Miroslav] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Meakin, Casey; Arnett, David] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Meakin, Casey] New Mexico Consortium, Los Alamos, NM 87544 USA. RP Viallet, M (reprint author), Univ Exeter, Stocker Rd, Exeter EX4 4QL, Devon, England. FU International Newton Fellowship from the Royal Society; NSF grant at the University of Arizona [1107445]; National Science Foundation grant [OCI-1053575] FX M.V. acknowledges support from an International Newton Fellowship from the Royal Society. C.M. and W.D.A. acknowledge support from NSF grant 1107445 at the University of Arizona. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575. NR 80 TC 38 Z9 38 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAY 20 PY 2013 VL 769 IS 1 AR 1 DI 10.1088/0004-637X/769/1/1 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 157NL UT WOS:000319904500001 ER PT J AU Wong, KC Zabludoff, AI Ammons, SM Keeton, CR Hogg, DW Gonzalez, AH AF Wong, Kenneth C. Zabludoff, Ann I. Ammons, S. Mark Keeton, Charles R. Hogg, David W. Gonzalez, Anthony H. TI A NEW APPROACH TO IDENTIFYING THE MOST POWERFUL GRAVITATIONAL LENSING TELESCOPES SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: clusters: general; gravitational lensing: strong ID DIGITAL SKY SURVEY; EARLY-TYPE GALAXIES; INITIAL MASS FUNCTION; LUMINOUS RED GALAXIES; BRIGHTEST CLUSTER GALAXIES; OSCILLATION SPECTROSCOPIC SURVEY; STAR-FORMING GALAXIES; LARGE-SCALE STRUCTURE; DARK-MATTER HALOS; K-BAND PROPERTIES AB The best gravitational lenses for detecting distant galaxies are those with the largest mass concentrations and the most advantageous configurations of that mass along the line of sight. Our new method for finding such gravitational telescopes uses optical data to identify projected concentrations of luminous red galaxies (LRGs). LRGs are biased tracers of the underlying mass distribution, so lines of sight with the highest total luminosity in LRGs are likely to contain the largest total mass. We apply this selection technique to the Sloan Digital Sky Survey and identify the 200 fields with the highest total LRG luminosities projected within a 3'.5 radius over the redshift range 0.1 <= z <= 0.7. The redshift and angular distributions of LRGs in these fields trace the concentrations of non-LRG galaxies. These fields are diverse; 22.5% contain one known galaxy cluster and 56.0% contain multiple known clusters previously identified in the literature. Thus, our results confirm that these LRGs trace massive structures and that our selection technique identifies fields with large total masses. These fields contain two to three times higher total LRG luminosities than most known strong-lensing clusters and will be among the best gravitational lensing fields for the purpose of detecting the highest redshift galaxies. C1 [Wong, Kenneth C.; Zabludoff, Ann I.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Ammons, S. Mark] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Keeton, Charles R.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Hogg, David W.] NYU, Ctr Cosmol & Particle Phys, Dept Phys, New York, NY 10003 USA. [Gonzalez, Anthony H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. RP Wong, KC (reprint author), Univ Arizona, Steward Observ, 933 North Cherry Ave, Tucson, AZ 85721 USA. OI Hogg, David/0000-0003-2866-9403 FU NSF [AST-0908280, AST-1211385]; NASA [ADAP-NNX10AD476, ADAP-NNX10AE88G]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Center for Cosmology and Particle Physics at New York University; National Aeronautics and Space Administration; Max Planck Institute for Astronomy FX We thank Decker French for her contributions to this project. We are particularly indebted to Daniel Eisenstein and Nikhil Padmanabhan for useful discussions regarding the LRG selection criteria. We also thank Leon Baruah, Michael Blanton, Marcello Cacciato, Shirley Ho, Daniel Marrone, Jeremiah Ostriker, Ashley Ross, Jeremy Tinker, and Adi Zitrin for helpful discussions and input. This work was supported by NSF grants AST-0908280 and AST-1211385 and NASA grants ADAP-NNX10AD476 and ADAP-NNX10AE88G. This work performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. A.I.Z. thanks the Max Planck Institute for Astronomy and the Center for Cosmology and Particle Physics at New York University for their hospitality and support during her stays there. This research has made use of the NASA/IPAC Extragalactic Database (NED), which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. NR 125 TC 5 Z9 5 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAY 20 PY 2013 VL 769 IS 1 AR 52 DI 10.1088/0004-637X/769/1/52 PG 29 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 157NL UT WOS:000319904500052 ER PT J AU Wylezalek, D Galametz, A Stern, D Vernet, J De Breuck, C Seymour, N Brodwin, M Eisenhardt, PRM Gonzalez, AH Hatch, N Jarvis, M Rettura, A Stanford, SA Stevens, JA AF Wylezalek, Dominika Galametz, Audrey Stern, Daniel Vernet, Joel De Breuck, Carlos Seymour, Nick Brodwin, Mark Eisenhardt, Peter R. M. Gonzalez, Anthony H. Hatch, Nina Jarvis, Matt Rettura, Alessandro Stanford, Spencer A. Stevens, Jason A. TI GALAXY CLUSTERS AROUND RADIO-LOUD ACTIVE GALACTIC NUCLEI AT 1.3 < z < 3.2 AS SEEN BY SPITZER SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; galaxies: clusters: general; galaxies: high-redshift; infrared: galaxies; techniques: photometric ID INFRARED ARRAY CAMERA; STELLAR POPULATION SYNTHESIS; H-ALPHA EMITTERS; SIMILAR-TO 2; HIGH-REDSHIFT; SPACE-TELESCOPE; X-RAY; MU-M; RED-SEQUENCE; SKY SURVEY AB Telescope snapshot program to investigate the environments of a large sample of obscured and unobscured luminous radio-loud active galactic nuclei (AGNs) at 1.2 < z < 3.2. These data, obtained for 387 fields, reach 3.6 and 4.5 mu m depths of [3.6] AB = 22.6 and [4.5] AB = 22.9 at the 95% completeness level, which is two to three times fainter than L* in this redshift range. By using the color cut [3.6] - [4.5] > -0.1 (AB), which efficiently selects high-redshift (z > 1.3) galaxies of all types, we identify galaxy cluster member candidates in the fields of the radio-loud AGN. The local density of these Infrared Array Camera (IRAC)-selected sources is compared to the density of similarly selected sources in blank fields. We find that 92% of the radio-loud AGN reside in environments richer than average. The majority (55%) of the radio-loud AGN fields are found to be overdense at a >= 2 sigma level; 10% are overdense at a >= 5 sigma level. A clear rise in surface density of IRAC-selected sources toward the position of the radio-loud AGN strongly supports an association of the majority of the IRAC-selected sources with the radio-loud AGN. Our results provide solid statistical evidence that radio-loud AGN are likely beacons for finding high-redshift galaxy (proto-) clusters. We investigate how environment depends on AGN type (unobscured radio-loud quasars versus obscured radio galaxies), radio luminosity and redshift, finding no correlation with either AGN type or radio luminosity. We find a decrease in density with redshift, consistent with galaxy evolution for this uniform, flux-limited survey. These results are consistent with expectations from the orientation-driven AGN unification model, at least for the high radio luminosity regimes considered in this sample. C1 [Wylezalek, Dominika; Stern, Daniel; Eisenhardt, Peter R. M.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Wylezalek, Dominika; Vernet, Joel; De Breuck, Carlos] European So Observ, D-85748 Garching, Germany. [Galametz, Audrey] INAF Osservatorio Roma, I-00040 Monte Porzio Catone, Italy. [Seymour, Nick] CASS, Epping, NSW 1710, Australia. [Brodwin, Mark] Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA. [Gonzalez, Anthony H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Hatch, Nina] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. [Jarvis, Matt] Univ Oxford, Dept Phys, Oxford OX1 3RH, England. [Jarvis, Matt; Stevens, Jason A.] Univ Hertfordshire, STRI, Ctr Astrophys Res, Hatfield AL10 9AB, Herts, England. [Jarvis, Matt] Univ Western Cape, Dept Phys, ZA-7535 Bellville, South Africa. [Rettura, Alessandro] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Stanford, Spencer A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, Spencer A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Wylezalek, D (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. OI Hatch, Nina/0000-0001-5600-0534; De Breuck, Carlos/0000-0002-6637-3315; Vernet, Joel/0000-0002-8639-8560; Seymour, Nicholas/0000-0003-3506-5536 FU ARC Future Fellowship; NASA FX We gratefully acknowledge James Falder and Conor Mancone who were involved in the initial CARLA proposals. N.S. is the recipient of an ARC Future Fellowship. This work is based on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. NR 74 TC 53 Z9 53 U1 0 U2 6 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 MAY 20 PY 2013 VL 769 IS 1 AR UNSP 79 DI 10.1088/0004-637X/769/1/79 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 157NL UT WOS:000319904500079 ER PT J AU Glatzel, P Schroeder, H Pushkar, Y Boron, T Mukherjee, S Christou, G Pecoraro, VL Messinger, J Yachandra, VK Bergmann, U Yano, J AF Glatzel, Pieter Schroeder, Henning Pushkar, Yulia Boron, Thaddeus, III Mukherjee, Shreya Christou, George Pecoraro, Vincent L. Messinger, Johannes Yachandra, Vittal K. Bergmann, Uwe Yano, Junko TI Electronic Structural Changes of Mn in the Oxygen-Evolving Complex of Photosystem II during the Catalytic Cycle SO INORGANIC CHEMISTRY LA English DT Article ID WATER OXIDATION; CENTERED OXIDATION; S-2 STATES; SPECTROSCOPY AB The oxygen-evolving complex (OEC) in photosystem II (PS II) was studied in the S-0 through S-3 states using 1s2p resonant inelastic X-ray scattering spectroscopy. The spectral changes of the OEC during the S-state transitions are subtle, indicating that the electrons are strongly delocalized throughout the cluster. The result suggests that, in addition to the Mn ions, ligands are also playing an important role in the redox reactions. A series of Mn-IV coordination complexes were compared, particularly with the PS II S-3 state spectrum to understand its oxidation state. We find strong variations of the electronic structure within the series of Mn-IV model systems. The spectrum of the S-3 state best resembles those of the Mn-IV complexes (Mn3Ca2)-Ca-IV and saplnMn(2)(IV)(OH)(2). The current result emphasizes that the assignment of formal oxidation states alone is not sufficient for understanding the detailed electronic structural changes that govern the catalytic reaction in the OEC. C1 [Glatzel, Pieter] European Synchrotron Radiat Facil, F-38000 Grenoble, France. [Schroeder, Henning; Pushkar, Yulia; Yachandra, Vittal K.; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Boron, Thaddeus, III; Pecoraro, Vincent L.] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. [Mukherjee, Shreya; Christou, George] Univ Florida, Dept Chem, Gainesville, FL 32605 USA. [Messinger, Johannes] Umea Univ, Kemiskt Biol Ctr, Inst Kemi, Umea, Sweden. [Bergmann, Uwe] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA. RP Glatzel, P (reprint author), European Synchrotron Radiat Facil, F-38000 Grenoble, France. EM pieter.glatzel@esrf.fr; vkyachandra@lbl.gov; bergmann@slac.stanford.edu; jyano@lbl.gov RI Christou, George /A-3072-2014; Glatzel, Pieter/E-9958-2010; pecoraro, vincent/B-7094-2008 OI Glatzel, Pieter/0000-0001-6532-8144; pecoraro, vincent/0000-0002-1540-5735 FU NIH [GM 55302]; DOE, Office of Science, Office of Basic Energy Sciences (OBES), Chemical Sciences, Geosciences, and Biosciences Division [DE-AC02-05CH11231] FX This work was supported by NIH Grant GM 55302 and the DOE, Director, Office of Science, Office of Basic Energy Sciences (OBES), Chemical Sciences, Geosciences, and Biosciences Division, under Contract DE-AC02-05CH11231. Parts of this research were carried out at ESRF, APS, and SSRL operated by Stanford University for DOE, OBES. We thank Dr. Sumit Bhaduri for providing model complexes. NR 15 TC 29 Z9 30 U1 3 U2 90 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD MAY 20 PY 2013 VL 52 IS 10 BP 5642 EP 5644 DI 10.1021/ic4005938 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 155BM UT WOS:000319720400007 PM 23647530 ER PT J AU Johnstone, EV Grant, DJ Poineau, F Fox, L Forster, PM Ma, LZ Gagliardi, L Czerwinski, KR Sattelberger, AP AF Johnstone, Erik V. Grant, Daniel J. Poineau, Frederic Fox, Laura Forster, Paul M. Ma, Longzou Gagliardi, Laura Czerwinski, Kenneth R. Sattelberger, Alfred P. TI A Trigonal-Prismatic Hexanuclear Technetium(II) Bromide Cluster: Solid-State Synthesis and Crystallographic and Electronic Structure SO INORGANIC CHEMISTRY LA English DT Article ID TRICHLORIDE; ELEMENTS; CRYSTALS; RADII; BONDS AB The compound Na{[Tc6Br12](2)Br} has been obtained from the decomposition of TcBr4 under vacuum in a Pyrex ampule at 450 degrees C. The stoichiometry of the compound has been confirmed by energy-dispersive X-ray spectroscopy and its structure determined by single-crystal X-ray diffraction. The compound contains a trigonal-prismatic hexanuclear [Tc6Br12] cluster. The cluster is composed of two triangular Tc3Br6 units linked by multiple Tc-Tc bonds. In the Tc3Br6 unit, the average Tc-Tc distance [2.6845(5) angstrom] is characteristic of Tc-Tc single bonds, while the average Tc-Tc distance between the two triangular units [2.1735(5) angstrom] is characteristic of Tc Tc triple bonds. The electronic structure of the [Tc6Br12] cluster was studied by first-principles calculations, which confirm the presence of single and triple Tc-Tc bonds in the cluster. C1 [Johnstone, Erik V.; Poineau, Frederic; Forster, Paul M.; Ma, Longzou; Czerwinski, Kenneth R.; Sattelberger, Alfred P.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Grant, Daniel J.; Fox, Laura; Gagliardi, Laura] Univ Minnesota, Dept Chem, Supercomp Inst, Minneapolis, MN 55455 USA. [Grant, Daniel J.; Fox, Laura; Gagliardi, Laura] Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Lemont, IL 60439 USA. RP Johnstone, EV (reprint author), Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. EM erikvjohnstone@gmail.com OI Forster, Paul/0000-0003-3319-4238 FU U.S. Department of Energy under a SISGR [47824B, DESC0005278, USDOE/DESC002183] FX The authors thank Julie Bertoia and Trevor Low for outstanding laboratory management and health physics support and Brittany Duncan for design contribution. Funding for this project was provided by the U.S. Department of Energy under a SISGR Contract 47824B and Award DESC0005278 and under Contract No. USDOE/DESC002183 (the computational study performed by D.J.G., L.F., and L.G.). NR 22 TC 4 Z9 4 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD MAY 20 PY 2013 VL 52 IS 10 BP 5660 EP 5662 DI 10.1021/ic400967k PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 155BM UT WOS:000319720400013 PM 23659536 ER PT J AU Roudebush, JH Andersen, NH Ramlau, R Garlea, VO Toft-Petersen, R Norby, P Schneider, R Hay, JN Cava, RJ AF Roudebush, J. H. Andersen, N. H. Ramlau, R. Garlea, V. O. Toft-Petersen, R. Norby, P. Schneider, R. Hay, J. N. Cava, R. J. TI Structure and Magnetic Properties of Cu3Ni2SbO6 and Cu3Co2SbO6 Delafossites with Honeycomb Lattices SO INORGANIC CHEMISTRY LA English DT Article AB The crystal structures of two Delafossites, Cu3Ni2SbO6 and Cu3Co2SbO6, are determined by high-resolution synchrotron powder X-ray diffraction. The Ni and Co are ordered with respect to Sb in the layer of edge sharing octahedra, forming magnetic layers with honeycomb geometry. High-resolution electron microscopy confirms ordering, and selected-area electron diffraction patterns identify examples of the stacking polytypes. Low temperature synthetic treatments result in disordered stacking of the layers, but heating just below their melting points results in nearly fully ordered stacking variants. The major variant in both cases is a monoclinic distortion of a 6-layer Delafossite polytype, but a significant amount of a 2-layer polytype is also present for the Ni case. The antiferromagnetic ordering with transitions, at 22.3 and 18.5 K for Ni and Co variants, respectively, is investigated by temperature and field dependent magnetization, as well as specific heat. The sharp magnetic transitions support the presence of well developed 2:1 ordering of the Co:Sb or Ni:Sb ions in the honeycomb layers. Neutron diffraction measurements at 4 K are used to determine the magnetic structures. For both the Ni and Co phases, the propagation vector is k = [100], and can be described as alternating ferromagnetic chains in the metal-oxide plane giving an overall antiferromagntic "zigzag" alignment. While orientation of the magnetic moments of the Co is along the b-axis, the Ni moments are in the ac plane, approximately parallel to the stacking direction. Bulk magnetization properties are discussed in terms of their magnetic structures. C1 [Roudebush, J. H.; Hay, J. N.; Cava, R. J.] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. [Andersen, N. H.] Tech Univ Denmark, Dept Phys, DK-4000 Roskilde, Denmark. [Ramlau, R.] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. [Garlea, V. O.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Toft-Petersen, R.] Helmholtz Zentrum Berlin Mat & Energy, D-14109 Berlin, Germany. [Norby, P.] Tech Univ Denmark, Mat Res Div, DK-4000 Roskilde, Denmark. [Schneider, R.] Karlsruhe Inst Technol, Lab Electron Microscopy, D-76128 Karlsruhe, Germany. RP Roudebush, JH (reprint author), Princeton Univ, Dept Chem, Washington Rd, Princeton, NJ 08544 USA. EM jhr@princeton.edu RI Andersen, Niels/A-3872-2012; Garlea, Vasile/A-4994-2016; Norby, Poul/B-9047-2014 OI Garlea, Vasile/0000-0002-5322-7271; Norby, Poul/0000-0002-2590-7050 FU Department of Energy, Division of Basic Energy Sciences [DOE DE-FG02-08ER46544]; Institute for Quantum Matter at Johns Hopkins University; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Velux Visiting Professor Program; Humboldt Foundation FX Research at Princeton University was supported through the Department of Energy, Division of Basic Energy Sciences, Grant DOE DE-FG02-08ER46544, through The Institute for Quantum Matter at Johns Hopkins University. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. The authors thank beamline scientists M. Suchomel, L. Ribaud, and B. Toby for the very high quality diffraction data. The research at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. R.J.C. gratefully acknowledges the support for his work at Riso DTU by the Velux Visiting Professor Program 2009-2010, and for his work at the MPI in Dresden by the Humboldt Foundation. NR 24 TC 16 Z9 16 U1 7 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD MAY 20 PY 2013 VL 52 IS 10 BP 6083 EP 6095 DI 10.1021/ic400415h PG 13 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 155BM UT WOS:000319720400058 PM 23627301 ER PT J AU Yeon, J Sefat, AS Tran, TT Halasyamani, PS zur Loye, HC AF Yeon, Jeongho Sefat, Athena S. Tran, T. Thao Halasyamani, P. Shiv zur Loye, Hans-Conrad TI Crystal Growth, Structure, Polarization, and Magnetic Properties of Cesium Vanadate, Cs2V3O8: A Structure Property Study SO INORGANIC CHEMISTRY LA English DT Article ID BOND-VALENCE PARAMETERS; WEAK FERROMAGNETISM; VANADIUM SELENITES; POLAR OXIDES; FRESNOITE; HYBRID; K2V3O8; FERROELECTRICITY; PYROELECTRICITY; BA2TISI2O8 AB Cesium vanadate, Cs2V3O8, a member of the fresnoite-type structure, was synthesized via a hydrothermal route and structurally characterized by single-crystal X-ray diffraction. Cs2V3O8 crystallizes in a noncentrosymmetric polar space group, P4bm, with crystal data of a = 8.9448(4) angstrom, c = 6.0032(3) angstrom, v = 480.31(4) angstrom(3), and Z = 2. The material exhibits a two-dimensional layered crystal structure consisting of corner-shared V5+O4 and V4+O5 polyhedra. The layers are separated by the cesium cations. The alignment of the individual polyhedra results in a macroscopic polarity for Cs2V3O8. Frequency-dependent polarization measurements indicate that the material is not ferroelectric. A pyroelectric coefficient of -2.0 mu C m(-2) K-1 was obtained from pyroelectric measurements taken as a function of the obtained from pyroelectric measurements taken as a function of the temperature. The magnetic susceptibility data were measured as a function of the temperature and yielded an effective magnetic moment of 1.78 mu(B) for the V4+ cation. Short-range magnetic ordering was observed around 7 K. The susceptibility data were fit to the Heisenberg square-lattice model supporting that the short-range magnetic interactions are antiferromagnetic and two-dimensional. IR and thermal properties were also characterized. C1 [Yeon, Jeongho; 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. [Tran, T. Thao; Halasyamani, P. Shiv] Univ Houston, Dept Chem, Houston, TX 77204 USA. RP zur Loye, HC (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. EM zurloye@mailbox.sc.edu RI Halasyamani, P. Shiv/A-8620-2009; Halasyamani, Shiv/J-3438-2014; Sefat, Athena/R-5457-2016; OI Halasyamani, Shiv/0000-0003-1787-1040; Sefat, Athena/0000-0002-5596-3504; zur Loye, Hans-Conrad/0000-0001-7351-9098 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0008664]; Welch Foundation [E-1457] FX Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0008664. P.S.H. and T.T.T. thank the Welch Foundation for support (Grant E-1457). We thank Dr. Mark D. Smith for the low-temperature unit cell data. We thank Dr. Neil Dilley and Dr. Shi Li at Quantum Design for collecting the magnetic susceptibility data. We also thank Dr. John E. Greedan for helpful discussions concerning the fit of the magnetic data to the two-dimensional Heisenberg model. NR 69 TC 17 Z9 17 U1 4 U2 67 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD MAY 20 PY 2013 VL 52 IS 10 BP 6179 EP 6186 DI 10.1021/ic400601n PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 155BM UT WOS:000319720400067 PM 23659551 ER PT J AU Virk, KS Hybertsen, MS Reichman, DR AF Virk, Kuljit S. Hybertsen, Mark S. Reichman, David R. TI Microscopic theory to quantify the competing kinetic processes in photoexcited surface-coupled quantum dots SO PHYSICAL REVIEW B LA English DT Article ID MANY-PARTICLE POINT; ELECTRONIC-STRUCTURE; OPTICAL-ABSORPTION; EDGE SINGULARITY; FERMI SEA; EXCITONS; SPECTRA; STATES; SIMULATION; DYNAMICS AB We present a self-contained theoretical and computational framework for dynamics following photoexcitation in quantum dots near planar interfaces. A microscopic Hamiltonian parametrized by first-principles calculations is merged with a reduced density matrix formalism that allows for the prediction of time-dependent charge and energy transfer processes between the quantum dot and the electrode. While treating charge and energy transfer processes on an equal footing, the nonperturbative effects of sudden charge transitions on the Fermi sea of the electrode are included. We illustrate the formalism with calculations of an InAs quantum dot coupled to the Shockley state on an Au[111] surface and use it to concretely discuss the wide range of kinetics possible in these systems and their implications for photovoltaic systems and tunnel junction devices. We discuss the utility of this framework for the analysis of recent experiments. C1 [Virk, Kuljit S.; Reichman, David R.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Hybertsen, Mark S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Virk, KS (reprint author), Columbia Univ, Dept Chem, 3000 Broadway, New York, NY 10027 USA. EM kv2212@columbia.edu; mhyberts@bnl.gov; drr2103@columubia.edu OI Hybertsen, Mark S/0000-0003-3596-9754 FU US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DE-SC0001085]; Center for Functional Nanomaterials, Brookhaven National Laboratory [DE-AC02-98CH10886]; Natural Sciences and Engineering Council of Canada FX This work is part of the Center for Re-Defining Photovoltaic Efficiency Through Molecule Scale Control, an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0001085, and the research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, Contract No. DE-AC02-98CH10886. K.S.V. also acknowledges partial support by the Natural Sciences and Engineering Council of Canada. NR 64 TC 0 Z9 0 U1 0 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 20 PY 2013 VL 87 IS 20 AR 205426 DI 10.1103/PhysRevB.87.205426 PG 25 WC Physics, Condensed Matter SC Physics GA 148NU UT WOS:000319252600009 ER PT J AU Gaur, V Mohanty, GB Aziz, T Adachi, I Aihara, H Asner, DM Aulchenko, V Aushev, T Bakich, AM Bala, A Belous, K Bhardwaj, V Bhuyan, B Bonvicini, G Bozek, A Bracko, M Browder, TE Chang, P Chekelian, V Chen, A Chen, P Cheon, BG Chistov, R Cho, K Chobanova, V Choi, SK Choi, Y Cinabro, D Dalseno, J Danilov, M Dolezal, Z Drasal, Z Drutskoy, A Dutta, D Dutta, K Eidelman, S Farhat, H Feindt, M Ferber, T Frey, A Gabyshev, N Ganguly, S Gillard, R Goh, YM Golob, B Haba, J Hayashii, H Horii, Y Hoshi, Y Hou, WS Hyun, HJ Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Julius, T Kah, DH Kang, JH Kawasaki, T Kiesling, C Kim, HJ Kim, JB Kim, JH Kim, KT Kim, MJ Kim, YJ Kinoshita, K Klucar, J Ko, BR Kodys, P Korpar, S Krizan, P Kumar, R Kumita, T Kwon, YJ Lange, JS Lee, SH Li, J Li, Y Libby, J Liu, C Liventsev, D Lukin, P Matvienko, D Miyabayashi, K Miyata, H Muramatsu, N Mussa, R Nakano, E Nakao, M Nayak, M Nedelkovska, E Nisar, NK Nishida, S Nitoh, O Ogawa, S Okuno, S Onuki, Y Ostrowicz, W Pakhlov, P Pakhlova, G Park, H Park, HK Pedlar, TK Pestotnik, R Petric, M Piilonen, LE Ritter, M Rohrken, M Rostomyan, A Sahoo, H Saito, T Sakai, Y Sandilya, S Santel, D Sanuki, T Sato, Y Savinov, V Schneider, O Schnell, G Schwanda, C Semmler, D Senyo, K Seon, O Sevior, ME Shapkin, M Shen, CP Shibata, TA Shiu, JG Sibidanov, A Simon, F Singh, JB Sinha, R Smerkol, P Sohn, YS Sokolov, A Solovieva, E Staric, M Steder, M Sumihama, M Sumiyoshi, T Tamponi, U Tatishvili, G Teramoto, Y Tsuboyama, T Uchida, M Uehara, S Uglov, T Unno, Y Uno, S Vahsen, SE Van Hulse, C Vanhoefer, P Varner, G Varvell, KE Vorobyev, V Wagner, MN Wang, CH Wang, P Wang, XL Watanabe, M Watanabe, Y Williams, KM Won, E Yabsley, BD Yamashita, Y Yashchenko, S Yusa, Y Zhilich, V Zupanc, A AF Gaur, V. Mohanty, G. B. Aziz, T. Adachi, I. Aihara, H. Asner, D. M. Aulchenko, V. Aushev, T. Bakich, A. M. Bala, A. Belous, K. Bhardwaj, V. Bhuyan, B. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Chang, P. Chekelian, V. Chen, A. Chen, P. Cheon, B. G. Chistov, R. Cho, K. Chobanova, V. Choi, S. -K. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dolezal, Z. Drasal, Z. Drutskoy, A. Dutta, D. Dutta, K. Eidelman, S. Farhat, H. Feindt, M. Ferber, T. Frey, A. Gabyshev, N. Ganguly, S. Gillard, R. Goh, Y. M. Golob, B. Haba, J. Hayashii, H. Horii, Y. Hoshi, Y. Hou, W. -S. Hyun, H. J. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Julius, T. Kah, D. H. Kang, J. H. Kawasaki, T. Kiesling, C. Kim, H. J. Kim, J. B. Kim, J. H. Kim, K. T. Kim, M. J. Kim, Y. J. Kinoshita, K. Klucar, J. Ko, B. R. Kodys, P. Korpar, S. Krizan, P. Kumar, R. Kumita, T. Kwon, Y. -J. Lange, J. S. Lee, S. -H. Li, J. Li, Y. Libby, J. Liu, C. Liventsev, D. Lukin, P. Matvienko, D. Miyabayashi, K. Miyata, H. Muramatsu, N. Mussa, R. Nakano, E. Nakao, M. Nayak, M. Nedelkovska, E. Nisar, N. K. Nishida, S. Nitoh, O. Ogawa, S. Okuno, S. Onuki, Y. Ostrowicz, W. Pakhlov, P. Pakhlova, G. Park, H. Park, H. K. Pedlar, T. K. Pestotnik, R. Petric, M. Piilonen, L. E. Ritter, M. Roehrken, M. Rostomyan, A. Sahoo, H. Saito, T. Sakai, Y. Sandilya, S. Santel, D. Sanuki, T. Sato, Y. Savinov, V. Schneider, O. Schnell, G. Schwanda, C. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shapkin, M. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Sibidanov, A. Simon, F. Singh, J. B. Sinha, R. Smerkol, P. Sohn, Y. -S. Sokolov, A. Solovieva, E. Staric, M. Steder, M. Sumihama, M. Sumiyoshi, T. Tamponi, U. Tatishvili, G. Teramoto, Y. Tsuboyama, T. Uchida, M. Uehara, S. Uglov, T. Unno, Y. Uno, S. Vahsen, S. E. Van Hulse, C. Vanhoefer, P. Varner, G. Varvell, K. E. Vorobyev, V. Wagner, M. N. Wang, C. H. Wang, P. Wang, X. L. Watanabe, M. Watanabe, Y. Williams, K. M. Won, E. Yabsley, B. D. Yamashita, Y. Yashchenko, S. Yusa, Y. Zhilich, V. Zupanc, A. CA Belle Collaboration TI Evidence for the decay B-0 -> K+K- pi(0) SO PHYSICAL REVIEW D LA English DT Article ID PACKAGE AB We report a search for charmless hadronic decays of neutral B mesons to the final state K+K-pi(0). The results are based on a 711 fb(-1) data sample that contains 772 x 10(6) B (B) over bar pairs, and was collected at the (sic)(4S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. We find the first evidence for this decay with a significance of 3.5 standard deviations and measure its branching fraction as B(B-0 -> K+K-pi(0)) = [2.17 +/- 0.60(stat) +/- 0.24(syst) x 10(-6). C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country, UPV EHU, Bilbao 48080, Spain. [Aulchenko, V.; Eidelman, S.; Gabyshev, N.; Lukin, P.; Matvienko, D.; Vorobyev, V.; Zhilich, V.] RAS, SB, Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Aulchenko, V.; Eidelman, S.; Gabyshev, N.; Lukin, P.; Matvienko, D.; Vorobyev, V.; Zhilich, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague, Czech Republic. [Kinoshita, K.; Santel, D.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Ferber, T.; Rostomyan, A.; Steder, M.; Yashchenko, S.] DESY, D-22607 Hamburg, Germany. [Lange, J. S.; Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Sumihama, M.] Gifu Univ, Gifu 5011193, Japan. [Frey, A.] Univ Gottingen, Inst Phys 2, D-37073 Gottingen, Germany. [Choi, S. -K.] Gyeongsang Natl Univ, Chinju 660701, South Korea. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Sahoo, H.; Vahsen, S. E.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Haba, J.; Itoh, R.; Iwasaki, Y.; Liventsev, D.; Nakao, M.; Nishida, S.; Sakai, Y.; Tsuboyama, T.; Uehara, S.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Schnell, G.] Ikerbasque, Bilbao 48011, Spain. [Bhuyan, B.; Dutta, D.; Dutta, K.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Libby, J.; Nayak, M.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Wang, P.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Belous, K.; Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Sinha, R.] Inst Math Sci, Madras 600113, Tamil Nadu, India. [Mussa, R.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Aushev, T.; Chistov, R.; Danilov, M.; Drutskoy, A.; Pakhlov, P.; Pakhlova, G.; Solovieva, E.; Uglov, T.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Bracko, M.; Golob, B.; Klucar, J.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Smerkol, P.; Staric, M.] Jozef Stefan Inst, Ljubljana 1000, Slovenia. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Feindt, M.; Roehrken, M.; Zupanc, A.] Karlsruher Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Kim, J. B.; Kim, K. T.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Hyun, H. J.; Kah, D. H.; Kim, H. J.; Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Bracko, M.; Korpar, S.] Univ Maribor, SLO-2000 Maribor, Slovenia. [Chekelian, V.; Chobanova, V.; Dalseno, J.; Kiesling, C.; Nedelkovska, E.; Ritter, M.; Simon, F.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Danilov, M.; Drutskoy, A.; Pakhlov, P.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Uglov, T.] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia. [Iijima, T.; Seon, O.; Shen, C. P.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Horii, Y.; Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Bhardwaj, V.; Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan. [Chen, A.] Natl Cent Univ, Chungli 32054, Taiwan. [Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan. [Chang, P.; Chen, P.; Hou, W. -S.; Shiu, J. -G.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Bozek, A.; Ostrowicz, W.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. [Kawasaki, T.; Miyata, H.; Watanabe, M.; Yusa, Y.] Niigata Univ, Niigata 9502181, Japan. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Asner, D. M.; Tatishvili, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bala, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Savinov, V.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Kumar, R.] Punjab Agr Univ, Ludhiana 141004, Punjab, India. [Muramatsu, N.] Tohoku Univ, Res Ctr Electron Photon Sci, Sendai, Miyagi 9808578, Japan. [Liu, C.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Li, J.] Seoul Natl Univ, Seoul 151742, South Korea. [Choi, Y.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bakich, A. M.; Sibidanov, A.; Varvell, K. E.; Yabsley, B. D.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Gaur, V.; Mohanty, G. B.; Aziz, T.; Nisar, N. K.; Sandilya, S.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Dalseno, J.; Simon, F.] Tech Univ Munich, Excellence Cluster Universe, D-85748 Garching, Germany. [Ogawa, S.] Toho Univ, Funabashi, Chiba 2748510, Japan. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Ishikawa, A.; Saito, T.; Sanuki, T.; Sato, Y.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Aihara, H.; Onuki, Y.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Kumita, T.; Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Koganei, Tokyo 1848588, Japan. [Tamponi, U.] Univ Turin, I-10124 Turin, Italy. [Li, Y.; Piilonen, L. E.; Wang, X. L.; Williams, K. M.] Virginia Polytech Inst & State Univ, Ctr Neutrino Phys, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.] Yonsei Univ, Seoul 120749, South Korea. RP Gaur, V (reprint author), Tata Inst Fundamental Res, Homi Bhabha Rd, Bombay 400005, Maharashtra, India. RI Aihara, Hiroaki/F-3854-2010; Ishikawa, Akimasa/G-6916-2012; Nitoh, Osamu/C-3522-2013; Pakhlov, Pavel/K-2158-2013; Uglov, Timofey/B-2406-2014; Danilov, Mikhail/C-5380-2014; Chistov, Ruslan/B-4893-2014; Drutskoy, Alexey/C-8833-2016; Pakhlova, Galina/C-5378-2014; Solovieva, Elena/B-2449-2014 OI Aihara, Hiroaki/0000-0002-1907-5964; Pakhlov, Pavel/0000-0001-7426-4824; Uglov, Timofey/0000-0002-4944-1830; Danilov, Mikhail/0000-0001-9227-5164; Chistov, Ruslan/0000-0003-1439-8390; Drutskoy, Alexey/0000-0003-4524-0422; Pakhlova, Galina/0000-0001-7518-3022; Solovieva, Elena/0000-0002-5735-4059 NR 28 TC 3 Z9 3 U1 1 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 20 PY 2013 VL 87 IS 9 AR 091101 DI 10.1103/PhysRevD.87.091101 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 148OD UT WOS:000319253700001 ER PT J AU Szema, AM Hamidi, SA Smith, SD Benveniste, H AF Szema, Anthony M. Hamidi, Sayyed A. Smith, S. David Benveniste, Helene TI VIP Gene Deletion in Mice Causes Cardiomyopathy Associated with Upregulation of Heart Failure Genes SO PLOS ONE LA English DT Article ID PULMONARY ARTERIAL-HYPERTENSION; SMOOTH-MUSCLE-CELLS; FAMILIAL HYPERTROPHIC CARDIOMYOPATHY; INTESTINAL-PEPTIDE GENE; CARDIAC TROPONIN-T; DILATED CARDIOMYOPATHY; ALPHA-TROPOMYOSIN; PROLIFERATION; MUTATION; LACKING AB Rationale: Vasoactive Intestinal Peptide (VIP), a pulmonary vasodilator and inhibitor of vascular smooth muscle proliferation, is absent in pulmonary arteries of patients with idiopathic pulmonary arterial hypertension (PAH). We previously determined that targeted deletion of the VIP gene in mice leads to PAH with pulmonary vascular remodeling and right ventricular (RV) dilatation. Whether the left ventricle is also affected by VIP gene deletion is unknown. In the current study, we examined if VIP knockout mice (VIP-/-) develop both right (RV) and left ventricular (LV) cardiomyopathy, manifested by LV dilatation and systolic dysfunction, as well as overexpression of genes conducive to heart failure. Methods: We examined VIP-/- and wild type (WT) mice using Magnetic Resonance Imaging (MRI) for evidence of cardiomyopathy associated with biventricular dilation and wall thickness changes. Lung tissue from VIP-/- and WT mice was subjected to whole-genome gene microarray analysis. Results: Lungs from VIP-/- mice showed overexpression of cardiomyopathy genes: Myh1 was upregulated 224 times over WT, and Mylpf was increased 72 fold. Tnnt3 was increased 105 times and tnnc2 181 fold. Hearts were dilated in VIP-/- mice, with thinning of LV wall and increase in RV and LV chamber size, though RV enlargement varied. Weights of VIP-/- mice were consistently lower. Conclusions: Critically-important heart failure-related genes are upregulated in VIP-/- mice associated with the spontaneous cardiomyopathy phenotype, involving both left and right ventricles, suggesting that loss of the VIP gene orchestrates a panoply of pathogenic genes which are detrimental to both left and right cardiac homeostasis. C1 [Szema, Anthony M.; Hamidi, Sayyed A.] Vet Affairs Med Ctr, Northport, NY USA. [Szema, Anthony M.; Hamidi, Sayyed A.] SUNY Stony Brook, Dept Med, Stony Brook, NY 11794 USA. [Smith, S. David] Brookhaven Natl Lab, Upton, NY 11973 USA. [Benveniste, Helene] SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. [Benveniste, Helene] SUNY Stony Brook, Dept Radiol, Stony Brook, NY 11794 USA. RP Szema, AM (reprint author), Vet Affairs Med Ctr, Northport, NY USA. EM anthony.szema@stonybrookmedicine.edu FU National Institutes of Health (NIH) [K08 HL 071263] FX This work was supported by National Institutes of Health (NIH) K08 HL 071263. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 31 TC 8 Z9 8 U1 0 U2 7 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 20 PY 2013 VL 8 IS 6 AR UNSP e61449 DI 10.1371/journal.pone.0061449 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 158JQ UT WOS:000319966400004 PM 23700405 ER PT J AU Koch, JA Landen, OL Suter, LJ Masse, LP Clark, DS Ross, JS Mackinnon, AJ Meezan, NB Thomas, CA Ping, Y AF Koch, Jeffrey A. Landen, Otto L. Suter, Laurence J. Masse, Laurent P. Clark, Daniel S. Ross, James S. Mackinnon, Andrew J. Meezan, Nathan B. Thomas, Cliff A. Ping, Yuan TI Refraction-enhanced backlit imaging of axially symmetric inertial confinement fusion plasmas SO APPLIED OPTICS LA English DT Article ID NATIONAL IGNITION FACILITY; RAY; CONTRAST; DENSITY; INTERFEROMETRY AB X-ray backlit radiographs of dense plasma shells can be significantly altered by refraction of x rays that would otherwise travel straight-ray paths, and this effect can be a powerful tool for diagnosing the spatial structure of the plasma being radiographed. We explore the conditions under which refraction effects may be observed, and we use analytical and numerical approaches to quantify these effects for one-dimensional radial opacity and density profiles characteristic of inertial-confinement fusion (ICF) implosions. We also show how analytical and numerical approaches allow approximate radial plasma opacity and density profiles to be inferred from point-projection refraction-enhanced radiography data. This imaging technique can provide unique data on electron density profiles in ICF plasmas that cannot be obtained using other techniques, and the uniform illumination provided by point-like x-ray backlighters eliminates a significant source of uncertainty in inferences of plasma opacity profiles from area-backlit pinhole imaging data when the backlight spatial profile cannot be independently characterized. The technique is particularly suited to in-flight radiography of imploding low-opacity shells surrounding hydrogen ice, because refraction is sensitive to the electron density of the hydrogen plasma even when it is invisible to absorption radiography. It may also provide an alternative approach to timing shockwaves created by the implosion drive, that are currently invisible to absorption radiography. (C) 2013 Optical Society of America C1 [Koch, Jeffrey A.; Landen, Otto L.; Suter, Laurence J.; Clark, Daniel S.; Ross, James S.; Mackinnon, Andrew J.; Meezan, Nathan B.; Thomas, Cliff A.; Ping, Yuan] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Masse, Laurent P.] CEA, DIF, DAM, F-91297 Arpajon, France. RP Koch, JA (reprint author), Lawrence Livermore Natl Lab, POB 808,L-493, Livermore, CA 94550 USA. EM koch1@llnl.gov RI MacKinnon, Andrew/P-7239-2014; Masse, Laurent/F-1476-2016 OI MacKinnon, Andrew/0000-0002-4380-2906; FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank M. Barrios, P. Di Nicola, K. Fournier, D. Hicks, J. Lugten, J. Nilsen, R. Olson, K. Opachich, R. Wallace, and the operations and target diagnostics staff at Omega and the NIF for their contributions and support. 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 37 TC 4 Z9 5 U1 1 U2 13 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X J9 APPL OPTICS JI Appl. Optics PD MAY 20 PY 2013 VL 52 IS 15 BP 3538 EP 3556 DI 10.1364/AO.52.003538 PG 19 WC Optics SC Optics GA 149SP UT WOS:000319341800013 PM 23736240 ER PT J AU Morales, MA Hamel, S Caspersen, K Schwegler, E AF Morales, Miguel A. Hamel, Sebastien Caspersen, Kyle Schwegler, Eric TI Hydrogen-helium demixing from first principles: From diamond anvil cells to planetary interiors SO PHYSICAL REVIEW B LA English DT Article ID GIANT PLANETS; PHASE-SEPARATION; HIGH-PRESSURE; MIXTURES; EVOLUTION; FLUID AB An accurate determination of the immiscibility of helium in hydrogen has a direct impact on the understanding of the interior structure and of the evolution of Jovian planets. We extend our previous work on hydrogen-helium mixtures [Morales, Schwegler, Ceperley, Pierleoni, Hamel, and Caspersen, Proc. Natl. Acad. Sci. (USA) 106, 1324 (2009)] to lower pressures and lower temperatures, across the molecular dissociation regime in hydrogen to the low-pressure molecular liquid. Using density-functional-theory-based molecular dynamics together with thermodynamic integration techniques, we calculate the Gibbs free energy of the dense liquid as a function of pressure, temperature, and composition. We address the importance of the nonideal entropy of mixing in the solubility of helium in hydrogen and find that it is critically important in the molecular regime. The resulting demixing temperatures smoothly connect measurements done in diamond anvil cells to the high-temperature and -pressure conditions found in giant planet interiors. C1 [Morales, Miguel A.; Hamel, Sebastien; Caspersen, Kyle; Schwegler, Eric] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Morales, MA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM moralessilva2@llnl.gov RI Schwegler, Eric/A-2436-2016 OI Schwegler, Eric/0000-0003-3635-7418 FU US Department of Energy at the Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LDRD Grant [10-ERD-058] FX This work was supported by the US Department of Energy at the Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. M.A.M. acknowledges support from LDRD Grant No. 10-ERD-058. Computer time was made available by Lawrence Livermore National Laboratory through the 6th Institutional Unclassified Computing Grand Challenge program. NR 20 TC 17 Z9 17 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 20 PY 2013 VL 87 IS 17 AR 174105 DI 10.1103/PhysRevB.87.174105 PG 4 WC Physics, Condensed Matter SC Physics GA 148NN UT WOS:000319251600002 ER PT J AU Allmond, JM Stuchbery, AE Radford, DC Galindo-Uribarri, A Stone, NJ Baktash, C Batchelder, JC Bingham, CR Danchev, M Gross, CJ Hausladen, PA Lagergren, K Larochelle, Y Padilla-Rodal, E Yu, CH AF Allmond, J. M. Stuchbery, A. E. Radford, D. C. Galindo-Uribarri, A. Stone, N. J. Baktash, C. Batchelder, J. C. Bingham, C. R. Danchev, M. Gross, C. J. Hausladen, P. A. Lagergren, K. Larochelle, Y. Padilla-Rodal, E. Yu, C. -H. TI Magnetic moments of 2(1)(+) states in Sn-124,Sn-126,Sn-128 SO PHYSICAL REVIEW C LA English DT Article ID ISOTOPES AB The g factors of the first-excited states of stable Sn-124 and radioactive Sn-126,Sn-128 were measured by the recoil-in-vacuum method with comparatively high precision. The experiments were performed at the Holifield Radioactive Ion Beam Facility by Coulomb exciting similar to 3 MeV/u beams in inverse kinematics on carbon and titanium targets. The results for Sn-124 and Sn-126 are in excellent agreement with recent shell-model calculations. For Sn-128 the experiment suggests an increase in the magnitude of g(2(1)(+)), as predicted by some models. The present results provide a sensitive probe of the valence orbitals that contribute to the 2(1)(+) wave functions as the double-shell closure at Sn-132 is approached. C1 [Allmond, J. M.; Hausladen, P. A.; Lagergren, K.; Padilla-Rodal, E.] Oak Ridge Natl Lab, Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. [Stuchbery, A. E.] Australian Natl Univ, Dept Phys, Canberra, ACT 0200, Australia. [Radford, D. C.; Galindo-Uribarri, A.; Baktash, C.; Bingham, C. R.; Gross, C. J.; Yu, C. -H.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Galindo-Uribarri, A.; Stone, N. J.; Bingham, C. R.; Larochelle, Y.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Stone, N. J.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. [Batchelder, J. C.] Oak Ridge Associated Univ, UNIRIB, Oak Ridge, TN 37831 USA. [Danchev, M.] Sofia Univ St Kliment Ohridski, Fac Phys, BG-1164 Sofia, Bulgaria. RP Allmond, JM (reprint author), Oak Ridge Natl Lab, Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. RI radford, David/A-3928-2015; OI Allmond, James Mitchell/0000-0001-6533-8721 FU Office of Nuclear Physics, US Department of Energy; Australian Research Council [DP0773273]; US DOE [DE-AC05-76OR00033, DE-FG02-96ER40963] FX The authors thank the HRIBF operations staff for developing and providing the stable and radioactive beams used in this study. This research was sponsored by the Office of Nuclear Physics, US Department of Energy, and by the Australian Research Council grant No. DP0773273. This work was also supported in part by the US DOE under Contracts No. DE-AC05-76OR00033 (UNIRIB) and No. DE-FG02-96ER40963 (UTK). NR 24 TC 15 Z9 15 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 20 PY 2013 VL 87 IS 5 AR 054325 DI 10.1103/PhysRevC.87.054325 PG 7 WC Physics, Nuclear SC Physics GA 148NY UT WOS:000319253100008 ER PT J AU Calabrese, E Hlozek, REA Battaglia, N Battistelli, ES Bond, JR Chluba, J Crichton, D Das, S Devlin, MJ Dunkley, J Dunner, R Farhang, M Gralla, MB Hajian, A Halpern, M Hasselfield, M Hincks, AD Irwin, KD Kosowsky, A Louis, T Marriage, TA Moodley, K Newburgh, L Niemack, MD Nolta, MR Page, LA Sehgal, N Sherwin, BD Sievers, JL Sifon, C Spergel, DN Staggs, ST Switzer, ER Wollack, EJ AF Calabrese, Erminia Hlozek, Renee E. A. Battaglia, Nick Battistelli, Elia S. Bond, J. Richard Chluba, Jens Crichton, Devin Das, Sudeep Devlin, Mark J. Dunkley, Joanna Duenner, Rolando Farhang, Marzieh Gralla, Megan B. Hajian, Amir Halpern, Mark Hasselfield, Matthew Hincks, Adam D. Irwin, Kent D. Kosowsky, Arthur Louis, Thibaut Marriage, Tobias A. Moodley, Kavilan Newburgh, Laura Niemack, Michael D. Nolta, Michael R. Page, Lyman A. Sehgal, Neelima Sherwin, Blake D. Sievers, Jonathan L. Sifon, Cristobal Spergel, David N. Staggs, Suzanne T. Switzer, Eric R. Wollack, Edward J. TI Cosmological parameters from pre-planck cosmic microwave background measurements SO PHYSICAL REVIEW D LA English DT Article ID CONSTRAINTS AB Recent data from the WMAP, ACT and SPT experiments provide precise measurements of the cosmic microwave background temperature power spectrum over a wide range of angular scales. The combination of these observations is well fit by the standard, spatially flat Lambda CDM cosmological model, constraining six free parameters to within a few percent. The scalar spectral index, n(s) = 0.9690 +/- 0.0089, is less than unity at the 3.5 sigma level, consistent with simple models of inflation. The damping tail of the power spectrum at high resolution, combined with the amplitude of gravitational lensing measured by ACT and SPT, constrains the effective number of relativistic species to be N-eff = 3.28 +/- 0.40, in agreement with the standard model's three species of light neutrinos. C1 [Calabrese, Erminia; Dunkley, Joanna; Louis, Thibaut] Univ Oxford, Sub Dept Astrophys, Oxford OX1 3RH, England. [Hlozek, Renee E. A.; Hasselfield, Matthew; Marriage, Tobias A.; Spergel, David N.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Battaglia, Nick] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Battistelli, Elia S.] Univ Rome Sapienza, Dept Phys, I-00185 Rome, Italy. [Bond, J. Richard; Farhang, Marzieh; Hajian, Amir; Hincks, Adam D.; Nolta, Michael R.; Switzer, Eric R.] Univ Toronto, CITA, Toronto, ON M5S 3H8, Canada. [Chluba, Jens; Crichton, Devin; Gralla, Megan B.; Marriage, Tobias A.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Das, Sudeep] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Das, Sudeep] Univ Calif Berkeley, BCCP, LBL, Berkeley, CA 94720 USA. [Das, Sudeep] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Devlin, Mark J.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Duenner, Rolando] Pontificia Univ Catolica Chile, Dept Astron & Astrofis, Santiago 22, Chile. [Farhang, Marzieh] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Halpern, Mark; Hasselfield, Matthew] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z4, Canada. [Irwin, Kent D.; Niemack, Michael D.] NIST, Quantum Devices Grp, Boulder, CO 80305 USA. [Kosowsky, Arthur] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Marriage, Tobias A.; Newburgh, Laura; Niemack, Michael D.; Page, Lyman A.; Sherwin, Blake D.; Sievers, Jonathan L.; Staggs, Suzanne T.] Princeton Univ, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. [Moodley, Kavilan] Univ KwaZulu Natal, Sch Math Sci, Astrophys & Cosmol Res Unit, ZA-4041 Durban, South Africa. [Niemack, Michael D.] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Sehgal, Neelima] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Sifon, Cristobal] Leiden Univ, Leiden Observ, NL-2300 RA Leiden, Netherlands. [Wollack, Edward J.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Calabrese, E (reprint author), Univ Oxford, Sub Dept Astrophys, Oxford OX1 3RH, England. RI Spergel, David/A-4410-2011; Wollack, Edward/D-4467-2012; OI Wollack, Edward/0000-0002-7567-4451; Chluba, Jens/0000-0003-3725-6096; Sievers, Jonathan/0000-0001-6903-5074; Sifon, Cristobal/0000-0002-8149-1352 FU U.S. National Science Foundation [AST-0408698, AST-0965625, PHY-0855887, PHY-1214379]; Princeton University; Canada Foundation for Innovation (CFI); CFI under Compute Canada; Government of Ontario; University of Toronto; ERC [259505]; NASA Office of Space Science; University of Pennsylvania; Comision Nacional de Investigacion Cientifica y Tecnologica de Chile (CONICYT); Ontario Research Fund-Research Excellence FX This work was supported by the U.S. National Science Foundation through Grants No. AST-0408698 and No. AST-0965625 for the ACT project, as well as Grants No. PHY-0855887 and No. PHY-1214379. Funding was also provided by Princeton University, the University of Pennsylvania, and a Canada Foundation for Innovation (CFI) award to UBC. ACT operates in the Parque Astronomico Atacama in northern Chile under the auspices of the Comision Nacional de Investigacion Cientifica y Tecnologica de Chile (CONICYT). Computations were performed on the GPC supercomputer at the SciNet HPC Consortium. SciNet is funded by the CFI under the auspices of Compute Canada, the Government of Ontario, the Ontario Research Fund-Research Excellence; and the University of Toronto. Funding from ERC Grant No. 259505 supports E. C., J.D., and T. L. We acknowledge the use of the Legacy Archive for Microwave Background Data Analysis (LAMBDA). Support for LAMBDA is provided by the NASA Office of Space Science. The likelihood code will be made public through LAMBDA [36] and the ACT website [37]. NR 31 TC 38 Z9 38 U1 0 U2 11 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 MAY 20 PY 2013 VL 87 IS 10 AR UNSP 103012 DI 10.1103/PhysRevD.87.103012 PG 5 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 148OJ UT WOS:000319254500001 ER PT J AU Cleve, R van Dam, W Nielsen, M Tapp, A AF Cleve, Richard van Dam, Wim Nielsen, Michael Tapp, Alain TI Quantum entanglement and the communication complexity of the inner product function SO THEORETICAL COMPUTER SCIENCE LA English DT Article AB We consider the communication complexity of the binary inner product function in a variation of the two-party scenario where the parties have an a priori supply of particles in an entangled quantum state. We prove linear lower bounds for both exact protocols, as well as for protocols that determine the answer with bounded-error probability. Our proofs employ a novel kind of "quantum" reduction from a quantum information theory problem to the problem of computing the inner product. The communication required for the former problem can then be bounded by an application of Holevo's theorem. We also give a specific example of a probabilistic scenario where entanglement reduces the communication complexity of the inner product function by one bit. (C) 2013 Published by Elsevier B.V. C1 [Cleve, Richard] Univ Waterloo, David R Cheriton Sch Comp Sci, Waterloo, ON N2L 3G1, Canada. [van Dam, Wim] Univ Calif Santa Barbara, Dept Comp Sci, Santa Barbara, CA 93106 USA. [Nielsen, Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Nielsen, Michael] Univ New Mexico, Albuquerque, NM 87131 USA. [Tapp, Alain] Univ Montreal, Dept IRO, Montreal, PQ H3C 3J7, Canada. RP Tapp, A (reprint author), Univ Montreal, Dept IRO, CP 6128,Succursale Ctr Ville, Montreal, PQ H3C 3J7, Canada. EM cleve@cs.uwaterloo.ca; vandam@cs.ucsb.edu; mn@michaelnielsen.org; tappa@iro.umontreal.ca FU Office of Naval Research [N00014-93-1-0116] FX We would like to thank Gilles Brassard, Harry Buhrman, Peter Hoyer, and Tal Mor for their comments on this research. R.C. would like to thank the Laboratoire d'Informatique Theorique et Quantique, Universite de Montreal for their gracious hospitality while this research was initiated. M.N. thanks the Office of Naval Research (Grant No. N00014-93-1-0116). NR 19 TC 2 Z9 3 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3975 J9 THEOR COMPUT SCI JI Theor. Comput. Sci. PD MAY 20 PY 2013 VL 486 BP 11 EP 19 DI 10.1016/j.tcs.2012.12.012 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA 154YL UT WOS:000319712500003 ER PT J AU Park, CY Lee, TH Dorris, SE Balachandran, U AF Park, C. Y. Lee, T. H. Dorris, S. E. Balachandran, U. TI A cobalt-free oxygen transport membrane, BaFe0.9Zr0.1O3-delta, and its application for producing hydrogen SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE BaFe0.9Zr0.1O3-delta (BFZ); Oxygen transport membrane (OTM); Hydrogen production; Ethanol reforming; Ambipolar conductivity ID PEROVSKITE-TYPE OXIDES; PARTIAL-OXIDATION; FUEL-CELLS; BA0.95LA0.05FEO3-DELTA MEMBRANES; PERMEATION PROPERTIES; STRUCTURAL STABILITY; CERAMIC MEMBRANES; METHANE; PERMEABILITY; SYNGAS AB Mixed ionic and electronic conductors are being explored for use as oxygen transport membrane (OTM) materials. An OTM material, BaFe0.9Zr0.1O3-delta (BFZ), was fabricated by conventional solid-state synthesis, and its oxygen permeation flux was measured from 600 to 900 degrees C. The BFZ is attractive for producing hydrogen because it is a cobalt-free material (resulting in low cost for fabrication) and has high oxygen permeation flux. The oxygen flux through a approximate to 0.45-mm-thick BFZ membrane exposed to flowing air and helium is approximate to 2.1 mL min(-1) cm(-2) at 900 degrees C, and the activation energy for oxygen transport is 0.43 eV, With the results of the oxygen flux and the electrical conductivity for BFZ, its high oxygen permeability was explained. To show its potential application, the BFZ was tested in coal-gas-assisted water-splitting and ethanol (EtOH) reforming experiments. The hydrogen production rate of a 1.05-mm-thick BFZ tube was comparable to that of a much thinner (approximate to 30 mu m) La0.7Sr0.3Cu0.2Fe0.8O3-delta thin-film tube. The EtOH reforming results also indicated significantly better performance of a BFZ disk compared with that of a Ba0.5Sr0.5Cu0.2Fe0.8O3-delta/40 vol.% Ag disk. In addition, the crystal structure and the microstructural behavior of BFZ fabricated in different conditions are discussed. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Park, C. Y.; Lee, T. H.; Dorris, S. E.; Balachandran, U.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Park, CY (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave,Bldg 212, Argonne, IL 60439 USA. EM cpark@anl.gov FU U.S. Department of Energy (DOE), Energy Efficiency and Renewable Energy, Office of Fuel Cell Technologies Program; Office of Fossil Energy, National Energy Technology Laboratory's Advanced and Fuels Technology Program [DE-AC02-06CH11357] FX Work is supported by the U.S. Department of Energy (DOE), Energy Efficiency and Renewable Energy, Office of Fuel Cell Technologies Program, and Office of Fossil Energy, National Energy Technology Laboratory's Advanced and Fuels Technology Program, under Contract DE-AC02-06CH11357. NR 34 TC 5 Z9 5 U1 3 U2 47 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD MAY 20 PY 2013 VL 38 IS 15 BP 6450 EP 6459 DI 10.1016/j.ijhydene.2013.02.119 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 148GQ UT WOS:000319233000020 ER PT J AU Das, P Baumbach, RE Huang, K Maple, MB Zhao, Y Helton, JS Lynn, JW Bauer, ED Janoschek, M AF Das, P. Baumbach, R. E. Huang, K. Maple, M. B. Zhao, Y. Helton, J. S. Lynn, J. W. Bauer, E. D. Janoschek, M. TI Absence of a static in-plane magnetic moment in the 'hidden-order' phase of URu2Si2 SO NEW JOURNAL OF PHYSICS LA English DT Article ID ELECTRON SUPERCONDUCTOR URU2SI2; FERMION SYSTEM URU2SI2; COMPOUND URU2SI2; EXCITATIONS; SURFACE; LATTICE; INSTABILITY; TRANSITION; PRESSURE AB We have carried out a careful magnetic neutron scattering study of the heavy fermion compound URu2Si2 to probe the possible existence of a small magnetic moment parallel to tetragonal basal plane in the 'hidden-order' phase. This small in-plane component of the magnetic moment on the uranium sites S-parallel to has been postulated by two recent models (rank-5 superspin/hastatic order) aiming to explain the hidden-order phase, in addition to the well-known out-of- plane component S-perpendicular to approximate to 0.01-0.04 mu(B)/U. In order to separate S-parallel to and S-perpendicular to, we take advantage of the condition that for magnetic neutron scattering only the components of the magnetic structure that are perpendicular to the scattering vector Q contribute to the magnetic scattering. We find no evidence for an in-plane magnetic moment S-parallel to. Based on the statistics of our measurement, we establish that the upper experimental limit for the size of any possible in-plane component is S-parallel to(max) <= 1 x 10(-3) mu(B)/U. C1 [Das, P.; Baumbach, R. E.; Bauer, E. D.; Janoschek, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Huang, K.; Maple, M. B.; Janoschek, M.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Zhao, Y.; Helton, J. S.; Lynn, J. W.] Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Zhao, Y.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. RP Janoschek, M (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM mjanoschek@lanl.gov RI Das, Pinaki/C-2877-2012; Janoschek, Marc/M-8871-2015; OI Janoschek, Marc/0000-0002-2943-0173; Bauer, Eric/0000-0003-0017-1937 FU US DOE [DE FG02-04ER46105]; LANL Directed Research and Development program; Alexander von Humboldt foundation; US DOE, OBES, Division of Materials Sciences and Engineering FX We thank Filip Ronning and Premala Chandra for useful discussions. Sample synthesis and characterization at UCSD were funded by the US DOE under grant no. DE FG02-04ER46105. Work at Los Alamos National Laboratory (LANL) was performed under the auspices of the US DOE, OBES, Division of Materials Sciences and Engineering and funded in part by the LANL Directed Research and Development program. MJ acknowledges financial support from the Alexander von Humboldt foundation. NR 36 TC 17 Z9 17 U1 1 U2 29 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD MAY 20 PY 2013 VL 15 AR 053031 DI 10.1088/1367-2630/15/5/053031 PG 12 WC Physics, Multidisciplinary SC Physics GA 146RN UT WOS:000319108400002 ER PT J AU Kim, J Huang, JW Zhou, JS Goodenough, JB Zheng, H Mitchell, JF de Lozanne, A AF Kim, Jeehoon Huang, Junwei Zhou, J. -S. Goodenough, J. B. Zheng, H. Mitchell, J. F. de Lozanne, Alex TI Observation of Electronic Inhomogeneity and Charge Density Waves in a Bilayer La2-2xSr1+2xMn2O7 Single Crystal SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; LAYERED MANGANITE; MAGNETORESISTIVE MANGANITES; STRIPE PHASES; OXIDES; LA1.2SR1.8MN2O7; TRANSITION; MICROSCOPY; POLARONS AB We employed a scanning tunneling microscope to image the (001) surface topography and local density of states (LDOS) in La2-2xSr1+2xMn2O7 (x = 0.32, LSMO) single crystals below the Curie temperature (T-C approximate to 120 K). The LDOS maps revealed a stripelike modulation propagating along the tetragonal a axis with a wavelength of about 16 angstrom, which is indicative of a charge density wave (CDW). The observed CDW in the x = 0.32 sample is far from the Fermi surface nesting instability as compared with the data of angle resolved photoemission spectroscopy in an x = 0.40 sample. The stripe model developed previously for cuprates can explain the observed CDW in our LSMO sample, indicating that competing interactions between localized and itinerant phases are the origin of the spatial modulations present intrinsically in cuprates and manganites. C1 [Kim, Jeehoon; Huang, Junwei; de Lozanne, Alex] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Zhou, J. -S.; Goodenough, J. B.; de Lozanne, Alex] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Zheng, H.; Mitchell, J. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP de Lozanne, A (reprint author), Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. EM delozanne@physics.utexas.edu RI de Lozanne, Alex/C-9693-2013 OI de Lozanne, Alex/0000-0003-2950-4707 FU National Science Foundation [DMR-0555663, DMR-0810119, DMR-1122603]; Welch Foundation; UChicago Argonne, LLC, Operator of Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors thank A. Saxena, R. Movshovich, M. J. Graf, N. Haberkorn, and F. Ronning for the useful discussions. This work is supported by the National Science Foundation (DMR-0555663, DMR-0810119, DMR-1122603) and by the Welch Foundation. J. F. M. is supported by UChicago Argonne, LLC, Operator of Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory operated under Contract No. DE-AC02-06CH11357. NR 31 TC 3 Z9 3 U1 2 U2 76 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 20 PY 2013 VL 110 IS 21 AR 217203 DI 10.1103/PhysRevLett.110.217203 PG 5 WC Physics, Multidisciplinary SC Physics GA 148PI UT WOS:000319257200005 PM 23745919 ER PT J AU Dagotto, E AF Dagotto, Elbio TI Colloquium: The unexpected properties of alkali metal iron selenide superconductors SO REVIEWS OF MODERN PHYSICS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; MAGNETIC EXCHANGE INTERACTIONS; PHASE-SEPARATION; SINGLE-CRYSTALS; SPIN-WAVES; FESE; CHALCOGENIDES; COEXISTENCE; KXFE2-YSE2; PNICTIDES AB The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi surface nesting of hole and electron pockets when in the presence of weak Hubbard U interactions. This approach seemed appropriate considering the small values of the magnetic moments in the parent compounds and the clear evidence based on photoemission experiments of the required electron and hole pockets. However, recent results in the context of alkali metal iron selenides, with generic chemical composition A(x)Fe(2-y)Se(2) (A = alkali metal element), have challenged those previous ideas since at particular compositions y the low-temperature ground states are insulating and display antiferro-magnetic order with large iron magnetic moments. Moreover, angle-resolved photoemission studies have revealed the absence of hole pockets at the Fermi level in these materials. The present status of this exciting area of research, with the potential to alter conceptually our understanding of the iron-based superconductors, is here reviewed, covering both experimental and theoretical investigations. Other recent related developments are also briefly reviewed, such as the study of selenide two-leg ladders and the discovery of superconductivity in a single layer of FeSe. The conceptual issues considered established for the alkali metal iron selenides, as well as several issues that still require further work, are discussed. C1 [Dagotto, Elbio] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Dagotto, Elbio] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Dagotto, E (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. FU U.S. DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; National Science Foundation [DMR-1104386] FX The author thanks D.C. Johnston and A. Moreo for a careful reading of this manuscript and for making valuable suggestions to improve the quality of the presentation. The author also thanks W. Bao, A. Bianconi, A.V. Boris, M.J. Calderon, Chao Cao, A. Charnukha, Xi Chen, Xialong Chen, Xianhui Chen, Jianhui Dai, Pengcheng Dai, Hong Ding, Shuai Dong, M.H. Fang, D.L. Feng, P.J. Hirschfeld, C. Homes, J.P. Hu, D.S. Inosov, B. Keimer, Z.-Y. Lu, Qinlong Luo, T.A. Maier, G. Martins, T.M. McQueen, Tian Qian, C. Petrovic, A. Ricci, A. Safa-Sefat, D.J. Scalapino, Gang Wang, Miaoyin Wang, Tao Xiang, Q.K. Xue, Yajun Yan, Feng Ye, Rong Yu, H.Q. Yuan, Fuchun Zhang, and X.J. Zhou for many useful comments. The author is supported by the U.S. DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, and by the National Science Foundation under Grant No. DMR-1104386. NR 181 TC 141 Z9 141 U1 18 U2 213 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0034-6861 EI 1539-0756 J9 REV MOD PHYS JI Rev. Mod. Phys. PD MAY 20 PY 2013 VL 85 IS 2 BP 849 EP 867 DI 10.1103/RevModPhys.85.849 PG 19 WC Physics, Multidisciplinary SC Physics GA 148FC UT WOS:000319227500001 ER PT J AU Zwolak, M Zurek, WH AF Zwolak, Michael Zurek, Wojciech H. TI Complementarity of quantum discord and classically accessible information SO SCIENTIFIC REPORTS LA English DT Article ID MECHANICAL DESCRIPTION; PHYSICAL REALITY; DECOHERENCE; EINSELECTION; DARWINISM; STATES AB The sum of the Holevo quantity (that bounds the capacity of quantum channels to transmit classical information about an observable) and the quantum discord (a measure of the quantumness of correlations of that observable) yields an observable-independent total given by the quantum mutual information. This split naturally delineates information about quantum systems accessible to observers - information that is redundantly transmitted by the environment - while showing that it is maximized for the quasi-classical pointer observable. Other observables are accessible only via correlations with the pointer observable. We also prove an anti-symmetry property relating accessible information and discord. It shows that information becomes objective - accessible to many observers - accessible as quantum information is relegated to correlations with the global environment, and, therefore, locally inaccessible. The resulting complementarity explains why, in a quantum Universe, we perceive objective classical reality while flagrantly quantum superpositions are out of reach. C1 [Zwolak, Michael] Oregon State Univ, Dept Phys, Corvallis, OR 97331 USA. [Zurek, Wojciech H.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zurek, Wojciech H.] Santa Fe Inst, Santa Fe, NM 87501 USA. RP Zwolak, M (reprint author), Oregon State Univ, Dept Phys, Corvallis, OR 97331 USA. EM mpzwolak@gmail.com RI Zwolak, Michael/G-2932-2013 OI Zwolak, Michael/0000-0001-6443-7816 FU U.S. Department of Energy through the LANL/LDRD Program; John Templeton Foundation FX This research is supported in part by the U.S. Department of Energy through the LANL/LDRD Program and in part by the John Templeton Foundation. We would also like to thank the Center for Integrated Quantum Science and Technology (IQST), Universitat Ulm, where part of this work was carried out. NR 45 TC 16 Z9 16 U1 1 U2 21 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD MAY 20 PY 2013 VL 3 AR 1729 DI 10.1038/srep01729 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 146RM UT WOS:000319108300001 ER PT J AU Karski, EE Matthay, KK Allen, MS Coleman, M Kohlgruber, A Haas-Kogan, DA Olow, AE DuBois, SG AF Karski, Erin E. Matthay, Katherine K. Allen, M. Shelly Coleman, Matthew Kohlgruber, Ayona Haas-Kogan, Daphne A. Olow, Aleksandra E. DuBois, Steven G. TI Biomarkers of radiation exposure in children with neuroblastoma treated with I-131-mIBG SO JOURNAL OF CLINICAL ONCOLOGY LA English DT Meeting Abstract CT Annual Meeting of the American-Society-of-Clinical-Oncology (ASCO) CY MAY 31-JUN 04, 2013 CL Chicago, IL SP Amer Soc Clin Oncol C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Davis, Sacramento, CA 95817 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC CLINICAL ONCOLOGY PI ALEXANDRIA PA 2318 MILL ROAD, STE 800, ALEXANDRIA, VA 22314 USA SN 0732-183X EI 1527-7755 J9 J CLIN ONCOL JI J. Clin. Oncol. PD MAY 20 PY 2013 VL 31 IS 15 SU S MA 10060 PG 1 WC Oncology SC Oncology GA AG4VY UT WOS:000335419600219 ER PT J AU Waltz, J AF Waltz, Jacob TI Performance of a three-dimensional unstructured mesh compressible flow solver on NVIDIA Fermi-class graphics processing unit hardware SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article DE Eulerian; finite element; partial differential equations; compressible flow; parallelization; explicit ID GRIDS AB We describe the performance of Chicoma, a 3D unstructured mesh compressible flow solver, on graphics processing unit (GPU) hardware. The approach used to deploy the solver on GPU architectures derives from the threaded multicore execution model used in Chicoma, and attempts to improve memory performance via the application of graph theory techniques. The result is a scheme that can be deployed on the GPU with high-level programming constructs, for example, compiler directives, rather than low-level programming extensions. With an NVIDIA Fermi-class GPU (NVIDIA Corp., Sta. Clara, CA, USA) and double precision floating point arithmetic, we observe performance gains of 45xon problem sizes of 106 107 tetrahedra. We also compare GPU performance to threaded multicore performance with OpenMP and demonstrate hybrid multicore-GPU calculations with adaptive mesh refinement. Published 2012. This article is a US Government work and is in the public domain in the USA. C1 [Waltz, Jacob] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. RP Waltz, J (reprint author), Los Alamos Natl Lab, MS B259, Los Alamos, NM 87545 USA. EM jwaltz@lanl.gov NR 19 TC 8 Z9 8 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD MAY 20 PY 2013 VL 72 IS 2 BP 259 EP 268 DI 10.1002/fld.3744 PG 10 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 126OK UT WOS:000317627000006 ER PT J AU Boutigny, S Saini, A Baidoo, EEK Yeung, N Keasling, JD Butland, G AF Boutigny, Sylvain Saini, Avneesh Baidoo, Edward E. K. Yeung, Natasha Keasling, Jay D. Butland, Gareth TI Physical and Functional Interactions of a Monothiol Glutaredoxin and an Iron Sulfur Cluster Carrier Protein with the Sulfur-donating Radical S-Adenosyl-L-methionine Enzyme MiaB SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ESCHERICHIA-COLI K-12; TRANSFER-RNA; AZOTOBACTER-VINELANDII; 4FE-4S CLUSTERS; SAM ENZYMES; COMPLEXES; FORMS; NFUA; METHYLTHIOLATION; IDENTIFICATION AB The biosynthesis of iron sulfur (FeS) clusters, their trafficking from initial assembly on scaffold proteins via carrier proteins to final incorporation into FeS apoproteins, is a highly coordinated process enabled by multiprotein systems encoded in iscRSUAh-scBAfdx and sufABCDSE operons in Escherichia coli. Although these systems are believed to encode all factors required for initial cluster assembly and transfer to FeS carrier proteins, accessory factors such as monothiol glutaredoxin, GrxD, and the FeS carrier protein NfuA are located outside of these defined systems. These factors have been suggested to function both as shuttle proteins acting to transfer clusters between scaffold and carrier proteins and in the final stages of FeS protein assembly by transferring clusters to client FeS apoproteins. Here we implicate both of these factors in client protein interactions. We demonstrate specific interactions between GrxD, NfuA, and the methylthiolase MiaB, a radical S-adenosyl-L-methionine-dependent enzyme involved in the maturation of a subset of tRNAs. We show that GrxD and NfuA physically interact with MiaB with affinities compatible with an in vivo function. We furthermore demonstrate that NfuA is able to transfer its cluster in vitro to MiaB, whereas GrxD is unable to do so. The relevance of these interactions was demonstrated by linking the activity of MiaB with GrxD and NfuA in vivo. We observe a severe defect in in vivo MiaB activity in cells lacking both GrxD and NfuA, suggesting that these proteins could play complementary roles in maturation and repair of MiaB. C1 [Boutigny, Sylvain; Saini, Avneesh; Yeung, Natasha; Butland, Gareth] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Baidoo, Edward E. K.; Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Baidoo, Edward E. K.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. RP Butland, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM gpbutland@lbl.gov RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 FU National Institutes of Health from the NIGMS [GM088196]; Office of Science, of the United States Department of Energy through an E. O. Lawrence Fellowship [DE-AC02-05CH11231] FX This work was supported, in whole or in part, by National Institutes of Health Grant GM088196 from the NIGMS. This work was also supported by the Director, Office of Science, of the United States Department of Energy under Contract DE-AC02-05CH11231 through an E. O. Lawrence Fellowship (to N. Y.). NR 36 TC 12 Z9 12 U1 1 U2 25 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD MAY 17 PY 2013 VL 288 IS 20 BP 14200 EP 14211 DI 10.1074/jbc.M113.460360 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 148OB UT WOS:000319253500024 PM 23543739 ER PT J AU Anselmino, M Boglione, M D'Alesio, U Melis, S Murgia, F Prokudin, A AF Anselmino, M. Boglione, M. D'Alesio, U. Melis, S. Murgia, F. Prokudin, A. TI Simultaneous extraction of transversity and Collins functions from new semi-inclusive deep inelastic scattering and e(+)e(-) data SO PHYSICAL REVIEW D LA English DT Article ID PARTON DISTRIBUTIONS; FRAGMENTATION; ASYMMETRIES; NUCLEON; HADRON; SIDIS AB We present a global reanalysis of the most recent experimental data on azimuthal asymmetries in semi-inclusive deep inelastic scattering, from the HERMES and COMPASS Collaborations, and in e(+)e(-) -> h(1)h(2)X processes, from the Belle Collaboration. The transversity and the Collins functions are extracted simultaneously, in the framework of a revised analysis in which a new parametrization of the Collins functions is also tested. C1 [Anselmino, M.; Boglione, M.; Melis, S.] Univ Turin, Dipartimento Fis, I-10125 Turin, Italy. [Anselmino, M.; Boglione, M.; Melis, S.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [D'Alesio, U.] Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, CA, Italy. [D'Alesio, U.; Murgia, F.] Ist Nazl Fis Nucl, Sez Cagliari, I-09042 Monserrato, CA, Italy. [Prokudin, A.] Jefferson Lab, Newport News, VA 23606 USA. RP Anselmino, M (reprint author), Univ Turin, Dipartimento Fis, Via P Giuria 1, I-10125 Turin, Italy. OI Melis, Stefano/0000-0001-7316-4346; Boglione, Mariaelena/0000-0002-3647-1731; Anselmino, Mauro/0000-0003-0900-8001 FU U.S. DOE Contract [DE-AC05-06OR23177]; European Community under the FP7 "Cacities-Research Infrastructures" program (HadronPhysics3) [283286]; MIUR under Cofinanziamento PRIN FX Authored by a Jefferson Science Associate, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. We acknowledge support from the European Community under the FP7 "Cacities-Research Infrastructures" program (HadronPhysics3, Grant Agreement No. 283286). We also acknowledge support by MIUR under Cofinanziamento PRIN 2008. U.D. is grateful to the Department of Theoretical Physics II of the Universidad Complutense of Madrid for the kind hospitality extended to him during the completion of this work. NR 40 TC 91 Z9 91 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 17 PY 2013 VL 87 IS 9 AR 094019 DI 10.1103/PhysRevD.87.094019 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 147YJ UT WOS:000319207600002 ER PT J AU Keating, T Goyal, K Jau, YY Biedermann, GW Landahl, AJ Deutsch, IH AF Keating, Tyler Goyal, Krittika Jau, Yuan-Yu Biedermann, Grant W. Landahl, Andrew J. Deutsch, Ivan H. TI Adiabatic quantum computation with Rydberg-dressed atoms SO PHYSICAL REVIEW A LA English DT Article ID SIMULATION; BLOCKADE; SPINS; TRAP AB We study an architecture for implementing adiabatic quantum computation with trapped neutral atoms. Ground-state atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark, we study the performance of quantum annealing to the ground state of an Ising spin lattice. We model a proof-of-principle experiment in a realistic architecture, including details of the atomic implementation, with qubits encoded in the clock states of Cs-133. Numerical simulation yields fidelities >0.98 for up to four qubits, and implementations of 10-20 qubits are within the range of current technology. C1 [Keating, Tyler; Goyal, Krittika; Jau, Yuan-Yu; Biedermann, Grant W.; Landahl, Andrew J.; Deutsch, Ivan H.] Univ New Mexico, Ctr Quantum Informat & Control CQuIC, Albuquerque, NM 87131 USA. [Keating, Tyler; Goyal, Krittika; Biedermann, Grant W.; Landahl, Andrew J.; Deutsch, Ivan H.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Jau, Yuan-Yu; Biedermann, Grant W.; Landahl, Andrew J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Keating, T (reprint author), Univ New Mexico, Ctr Quantum Informat & Control CQuIC, Albuquerque, NM 87131 USA. RI Deutsch, Ivan/D-1882-2009 OI Deutsch, Ivan/0000-0002-1733-5750 FU Laboratory Directed Research and Development program at Sandia National Laboratories; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 20 TC 26 Z9 26 U1 1 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD MAY 17 PY 2013 VL 87 IS 5 AR 052314 DI 10.1103/PhysRevA.87.052314 PG 5 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 147WI UT WOS:000319200100005 ER PT J AU Vigren, E Zhaunerchyk, V Geppert, WD Larsson, M Bahati, E Vane, CR Bannister, ME Fogle, MR Hamberg, M Danielsson, M Kaminska, M Thomas, RD AF Vigren, E. Zhaunerchyk, V. Geppert, W. D. Larsson, M. Bahati, E. Vane, C. R. Bannister, M. E. Fogle, M. R. Hamberg, M. Danielsson, M. Kaminska, M. Thomas, R. D. TI Collision-induced dissociation of similar to 2-MeV O-3(+) and N-3(+) ions SO PHYSICAL REVIEW A LA English DT Article ID CAPTURE-INDUCED DISSOCIATION; CHARGE-EXCHANGE; CROSS-SECTIONS; NEUTRAL FRAGMENTS; BRANCHING RATIOS; OZONE; RECOMBINATION; PHOTODISSOCIATION; H-3(+); IONIZATION AB We present a study into the collision-induced dissociation (possibly including electron stripping) of O-3(+) and N-3(+) with rest gas molecules (predominantly H-2) in the heavy-ion storage ring CRYRING. The projectile ions had kinetic energies of 1.96 MeV (O-3(+)) and 2.25 MeV (N-3(+)) and from the experimental data we could derive the relative importance of the channels that produce at least one neutral product fragment. The dominant type of fragmentation for both ions involves the production of a single neutral fragment, namely an individual atom. We also find pronounced dissimilarities when comparing the O-3(+) and N-3(+) results, which we link to the stronger chemical bonds in the nitrogen system. C1 [Vigren, E.; Zhaunerchyk, V.; Geppert, W. D.; Larsson, M.; Hamberg, M.; Danielsson, M.; Thomas, R. D.] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden. [Bahati, E.; Vane, C. R.; Bannister, M. E.; Fogle, M. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Kaminska, M.] Jan Kochanowski Univ Humanities & Sci, Inst Phys, PL-25369 Kielce, Poland. RP Vigren, E (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. EM e.vigren@imperial.ac.uk RI Zhaunerchyk, Vitali/E-9751-2016 FU Swedish Research Council [2011-894, 2009-7556, 2008-3699]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy FX We are kindly indebted to Fabian Osterdahl for his help during the experimental part of this study. We thank the staff at the Manne Siegbahn Laboratory for excellent technical support during the experiments. E. V. is thankful for support from the Swedish Research Council (Grant No. 2011-894). W. D. G. acknowledges support from the Swedish Research Council (Grants No. 2009-7556 and No. 2008-3699). The authors from Oak Ridge National Laboratory acknowledge funding from the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy. We thank an anonymous referee for valuable suggestions and comments. NR 50 TC 0 Z9 0 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD MAY 17 PY 2013 VL 87 IS 5 AR 052707 DI 10.1103/PhysRevA.87.052707 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 147WI UT WOS:000319200100009 ER PT J AU Adare, A Adler, SS Afanasiev, S Aidala, C Ajitanand, NN Akiba, Y Al-Bataineh, H Al-Jamel, A Alexander, J Angerami, A Aoki, K Apadula, N Aphecetche, L Aramaki, Y Armendariz, R Aronson, SH Asai, J Atomssa, ET Averbeck, R Awes, TC Azmoun, B Babintsev, V Bai, M Baksay, G Baksay, L Baldisseri, A Barish, KN Barnes, PD Bassalleck, B Basye, AT Bathe, S Batsouli, S Baublis, V Bauer, F Baumann, C Bazilevsky, A Belikov, S Belmont, R Bennett, R Berdnikov, A Berdnikov, Y Bhom, JH Bickley, AA Bjorndal, MT Blau, DS Boissevain, JG Bok, JS Borel, H Boyle, K Brooks, ML Brown, DS Bruner, N Bucher, D Buesching, H Bumazhnov, V Bunce, G Burward-Hoy, JM Butsyk, S Camacho, CM Camard, X Campbell, S Caringi, A Chand, P Chang, BS Chang, WC Charvet, JL Chen, CH Chernichenko, S Chi, CY Chiba, J Chiu, M Choi, IJ Choi, JB Choudhury, RK Christiansen, P Chujo, T Chung, P Churyn, A Chvala, O Cianciolo, V Citron, Z Cobigo, Y Cole, BA Comets, MP del Valle, ZC Connors, M Constantin, P Csanad, M Csorgo, T Cussonneau, JP Dahms, T Dairaku, S Danchev, I Das, K Datta, A David, G Dayananda, MK Deak, F Delagrange, H Denisov, A d'Enterria, D Deshpande, A Desmond, EJ Devismes, A Dharmawardane, KV Dietzsch, O Dion, A Donadelli, M Drachenberg, JL Drapier, O Drees, A Drees, KA Dubey, AK Durham, JM Durum, A Dutta, D Dzhordzhadze, V D'Orazio, L Edwards, S Efremenko, YV Ellinghaus, F Engelmore, T Enokizono, A En'yo, H Espagnon, B Esumi, S Eyser, KO Fadem, B Fields, DE Finck, C Finger, M Finger , M Fleuret, F Fokin, SL Fox, BD Fraenkel, Z Frantz, JE Franz, A Frawley, AD Fujiwara, K Fukao, Y Fung, SY Fusayasu, T Gadrat, S Garishvili, I Germain, M Glenn, A Gong, H Gonin, M Gosset, J Goto, Y de Cassagnac, RG Grau, N Greene, SV Grim, G Perdekamp, MG Gunji, T Gustafsson, HA Hachiya, T Henni, AH Haggerty, JS Hahn, KI Hamagaki, H Hamblen, J Han, R Hanks, J Hansen, AG Hartouni, EP Haruna, K Harvey, M Haslum, E Hasuko, K Hayano, R He, X Heffner, M Hemmick, TK Hester, T Heuser, JM Hidas, P Hiejima, H Hill, JC Hobbs, R Hohlmann, M Holzmann, W Homma, K Hong, B Hoover, A Horaguchi, T Hornback, D Huang, S Ichihara, T Ichimiya, R Iinuma, H Ikeda, Y Ikonnikov, VV Imai, K Imrek, J Inaba, M Isenhower, D Isenhower, L Ishihara, M Isobe, T Issah, M Isupov, A Ivanischev, D Iwanaga, Y Jacak, BV Jia, J Jiang, X Jin, J Jinnouchi, O Johnson, BM Johnson, SC Jones, T Joo, KS Jouan, D Jumper, DS Kajihara, F Kametani, S Kamihara, N Kamin, J Kaneta, M Kang, JH Kapustinsky, J Karatsu, K Kasai, M Katou, K Kawabata, T Kawall, D Kawashima, M Kazantsev, AV Kelly, S Kempel, T Khachaturov, B Khanzadeev, A Kijima, KM Kim, A Kim, BI Kim, DH Kim, DJ Kim, E Kim, EJ Kim, EJ Kim, GB Kim, HJ Kim, SH Kim, YJ Kinney, E Kiriluk, K Kiss, A Kistenev, E Kiyomichi, A Klay, J Klein-Boesing, C Kleinjan, D Kobayashi, H Kochenda, L Kochetkov, V Kohara, R Komkov, B Konno, M Koster, J Kotchetkov, D Kozlov, A Kral, A Kravitz, A Kroon, PJ Kuberg, CH Kunde, GJ Kurita, K Kurosawa, M Kweon, MJ Kwon, Y Kyle, GS Lacey, R Lai, YS Lajoie, JG Layton, D Lebedev, A Le Bornec, Y Leckey, S Lee, DM Lee, J Lee, KB Lee, KS Lee, T Leitch, MJ Leite, MAL Lenzi, B Li, X Li, XH Lichtenwalner, P Liebing, P Lim, H Levy, LAL Liska, T Litvinenko, A Liu, H Liu, MX Love, B Lynch, D Maguire, CF Makdisi, YI Malakhov, A Malik, MD Manko, VI Mannel, E Mao, Y Martinez, G Masek, L Masui, H Matathias, F Matsumoto, T McCain, MC McCumber, M McGaughey, PL McGlinchey, D Means, N Meredith, B Miake, Y Mibe, T Mignerey, AC Mikes, P Miki, K Miller, TE Milov, A Mioduszewski, S Mishra, GC Mishra, M Mitchell, JT Mohanty, AK Moon, HJ Morino, Y Morreale, A Morrison, DP Moss, JM Moukhanova, TV Mukhopadhyay, D Muniruzzaman, M Murakami, T Murata, J Nagamiya, S Nagle, JL Naglis, M Nagy, MI Nakagawa, I Nakamiya, Y Nakamura, KR Nakamura, T Nakano, K Nam, S Newby, J Nguyen, M Nihashi, M Niida, T 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CA Phenix Collaboration TI Direct photon production in d+Au collisions at root s(NN)=200 GeV SO PHYSICAL REVIEW C LA English DT Article ID PARTON ENERGY-LOSS; SCATTERING AB Direct photons have been measured in root s(NN) = 200 GeV d + Au collisions at midrapidity. A wide p(T) range is covered by measurements of nearly real virtual photons (1 < p(T) < 6 GeV/c) and real photons (5 < p(T) < 16 GeV/c). The invariant yield of the direct photons in d + Au collisions over the scaled p + p cross section is consistent with unity. Theoretical calculations assuming standard cold-nuclear-matter effects describe the data well for the entire p(T) range. This indicates that the large enhancement of direct photons observed in Au + Au collisions for 1.0 < p(T) < 2.5 GeV/c is attributable to a source other than the initial-state nuclear effects. C1 [Basye, A. T.; Drachenberg, J. L.; Isenhower, L.; Jones, T.; Jumper, D. S.; Kuberg, C. H.; McCain, M. C.; Qualls, J. M.; Thomas, D.; Towell, R. 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[Asai, J.; Pantuev, V.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Masek, L.; Mikes, P.; Ruzicka, P.; Tomasek, L.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague 18221 8, Czech Republic. [Belikov, S.; Constantin, P.; Dion, A.; Grau, N.; Hill, J. C.; Kempel, T.; Lajoie, J. G.; Lebedev, A.; Ogilvie, C. A.; Pei, H.; Rak, J.; Rosati, M.; Semenov, A. Yu.; Silva, C. L.; Vale, C.; Wei, F.; Wohn, F. K.; Zong, X.] Iowa State Univ, Ames, IA 50011 USA. [Imai, K.; Sato, S.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. [Afanasiev, S.; Isupov, A.; Litvinenko, A.; Malakhov, A.; Penev, V.; Peresedov, V.; Rukoyatkin, P.; Zolin, L.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Kim, E.; Rak, J.] Helsinki Inst Phys, FI-40014 Jyvaskyla, Finland. [Kim, E.; Rak, J.] Univ Jyvaskyla, FI-40014 Jyvaskyla, Finland. [Akiba, Y.; Chiba, J.; Mibe, T.; Nagamiya, S.; Saito, N.; Sawada, S.; Tanaka, K. 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M.; Horaguchi, T.; Ichihara, T.; Ichimiya, R.; Iinuma, H.; Imai, K.; Ishihara, M.; Isobe, T.; Jinnouchi, O.; Kametani, S.; Kamihara, N.; Karatsu, K.; Kasai, M.; Kawashima, M.; Kiyomichi, A.; Kurita, K.; Kurosawa, M.; Mao, Y.; Miki, K.; Murata, J.; Nakagawa, I.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Ohnishi, H.; Okada, K.; Onuki, Y.; Ouchida, M.; Rykov, V. L.; Saito, N.; Sakashita, K.; Sato, H. D.; Shibata, T. -A.; Shoji, K.; Taketani, A.; Tanida, K.; Togawa, M.; Tojo, J.; Torii, H.; Watanabe, Y.; Yamaguchi, Y. L.; Yokkaichi, S.] RIKEN, Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan. [Akiba, Y.; Bathe, S.; Bazilevsky, A.; Bunce, G.; Deshpande, A.; En'yo, H.; Fields, D. E.; Fox, B. D.; Fukao, Y.; Perdekamp, M. Grosse; Horaguchi, T.; Ichihara, T.; Jinnouchi, O.; Kamihara, N.; Kaneta, M.; Kawall, D.; Kobayashi, H.; Liebing, P.; Nakagawa, I.; Okada, K.; Saito, N.; Seidl, R.; Taketani, A.; Tanida, K.; Togawa, M.; Torii, H.; Watanabe, Y.; Xie, W.; Yokkaichi, S.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Goto, Y.; Kasai, M.; Kawashima, M.; Kurita, K.; Murata, J.] Rikkyo Univ, Dept Phys, Toshima Ku, Tokyo 1718501, Japan. [Berdnikov, A.; Berdnikov, Y.] St Petersburg State Polytech Univ, St Petersburg 195251, Russia. [Dietzsch, O.; Donadelli, M.; Leite, M. A. L.; Lenzi, B.; Silva, C. L.; Takagui, E. M.] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. [Kim, E. -J.; Kim, G. -B.; Lee, T.; Lim, H.; Park, J.; Tanida, K.] Seoul Natl Univ, Seoul, South Korea. [Ajitanand, N. N.; Alexander, J.; Chung, P.; Holzmann, W.; Issah, M.; Jia, J.; Lacey, R.; Taranenko, A.; Wei, R.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Apadula, N.; Averbeck, R.; Bennett, R.; Boyle, K.; Butsyk, S.; Campbell, S.; Chen, C-H.; Citron, Z.; Connors, M.; Dahms, T.; Deshpande, A.; Devismes, A.; Dion, A.; Drees, A.; Durham, J. M.; Frantz, J. E.; Gong, H.; Hemmick, T. K.; Jacak, B. V.; Jia, J.; Kamin, J.; Leckey, S.; Matathias, F.; McCumber, M.; Means, N.; Milov, A.; Nguyen, M.; Pantuev, V.; Petti, R.; Proissl, M.; Purwar, A. K.; Reuter, M.; Sahlmueller, B.; Sickles, A.; Taneja, S.; Themann, H.; Toia, A.; Velkovsky, M.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Aphecetche, L.; Awes, T. C.; Camard, X.; Cussonneau, J. P.; Delagrange, H.; Finck, C.; Germain, M.; Henni, A. Hadj; Martinez, G.; Schutz, Y.] Univ Nantes, Ecole Mines Nantes, SUBATECH, CNRS IN2P3, F-44307 Nantes, France. [Dzhordzhadze, V.; Garishvili, I.; Glenn, A.; Hamblen, J.; Hornback, D.; Kwon, Y.; Newby, J.; Read, K. F.; Sorensen, S. P.] Univ Tennessee, Knoxville, TN 37996 USA. [Kamihara, N.; Nakano, K.; Sakashita, K.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. [Chujo, T.; Esumi, S.; Ikeda, Y.; Inaba, M.; Konno, M.; Masui, H.; Miake, Y.; Miki, K.; Niida, T.; Oka, M.; Sakai, S.; Sato, S.; Sato, T.; Shimomura, M.; Takagi, S.; Tanabe, R.; Tomita, Y.; Watanabe, K.] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 305, Japan. [Belmont, R.; Danchev, I.; Greene, S. V.; Huang, S.; Issah, M.; Love, B.; Maguire, C. F.; Miller, T. E.; Mukhopadhyay, D.; Ojha, I. D.; Roach, D.; Valle, H.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Kametani, S.; Katou, K.; Kim, A.; Matsumoto, T.; Sakaguchi, T.; Sano, S.; Yamaguchi, Y. L.] Waseda Univ, Adv Res Inst Sci & Engn, Shinjuku Ku, Tokyo 1620044, Japan. [Dubey, A. K.; Fraenkel, Z.; Khachaturov, B.; Kozlov, A.; Mukhopadhyay, D.; Naglis, M.; Pal, D.; Ravinovich, I.; Tserruya, I.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Csoergo, T.; Hidas, P.; Nagy, M. I.; Ster, A.; Sziklai, J.; Vertesi, R.] Hungarian Acad Sci, Wigner Res Ctr Phys, Inst Nucl & Particle Phys, Wigner RCP,RMKI, H-1525 Budapest, Hungary. [Bhom, J. H.; Bok, J. S.; Chang, B. S.; Choi, I. J.; Kang, J. H.; Kim, E.; Kim, S. H.; Kwon, Y.; Ryu, S. S.] Yonsei Univ, IPAP, Seoul 120749, South Korea. RP Jacak, BV (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM jacak@skipper.physics.sunysb.edu RI Hayano, Ryugo/F-7889-2012; HAMAGAKI, HIDEKI/G-4899-2014; Durum, Artur/C-3027-2014; Sorensen, Soren /K-1195-2016; Yokkaichi, Satoshi/C-6215-2017; Taketani, Atsushi/E-1803-2017; Semenov, Vitaliy/E-9584-2017; Tomasek, Lukas/G-6370-2014; Blau, Dmitry/H-4523-2012; Dahms, Torsten/A-8453-2015; En'yo, Hideto/B-2440-2015 OI Csorgo, Tamas/0000-0002-9110-9663; Sullivan, John/0000-0002-9067-1531; Hayano, Ryugo/0000-0002-1214-7806; Sorensen, Soren /0000-0002-5595-5643; Taketani, Atsushi/0000-0002-4776-2315; Campbell, Sarah/0000-0001-6717-9744; Durham, J. Matthew/0000-0002-5831-3398; Tomasek, Lukas/0000-0002-5224-1936; Dahms, Torsten/0000-0003-4274-5476; FU Office of Nuclear Physics in the Office of Science of the Department of Energy; National Science Foundation; Renaissance Technologies LLC; Abilene Christian University Research Council; Research Foundation of SUNY; College of Arts and Sciences, Vanderbilt University (USA); Ministry of Education, Culture, Sports, Science, and Technology; Japan Society for the Promotion of Science (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (People's Republic of China); Ministry of Education, Youth, and Sports (Czech Republic); Centre National de la Recherche Scientifique (France); Commissariat a l'Energie Atomique (France); Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung (Germany); Deutscher Akademischer Austausch Dienst (Germany); Alexander von Humboldt Stiftung (Germany); Hungarian National Science Fund, OTKA (Hungary); Department of Atomic Energy and Department of Science and Technology (India); Israel Science Foundation (Israel); National Research Foundation (Korea); WCU program of the Ministry Education Science and Technology (Korea); Ministry of Education and Science (Russia); Russian Academy of Sciences (Russia); Federal Agency of Atomic Energy (Russia); VR (Sweden); Wallenberg Foundation (Sweden); US Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; US-Hungarian Fulbright Foundation for Educational Exchange; US-Israel Binational Science Foundation FX We thank the staff of the Collider-Accelerator and Physics Departments at Brookhaven National Laboratory and the staff of the other PHENIX participating institutions for their vital contributions. We acknowledge support from the Office of Nuclear Physics in the Office of Science of the Department of Energy, the National Science Foundation, a sponsored research grant from Renaissance Technologies LLC, Abilene Christian University Research Council, Research Foundation of SUNY, and Dean of the College of Arts and Sciences, Vanderbilt University (USA); Ministry of Education, Culture, Sports, Science, and Technology and the Japan Society for the Promotion of Science (Japan); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (Brazil); Natural Science Foundation of China (People's Republic of China); Ministry of Education, Youth, and Sports (Czech Republic); Centre National de la Recherche Scientifique, Commissariat a l'Energie Atomique, and Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung, Deutscher Akademischer Austausch Dienst, and Alexander von Humboldt Stiftung (Germany); Hungarian National Science Fund, OTKA (Hungary); Department of Atomic Energy and Department of Science and Technology (India); Israel Science Foundation (Israel); National Research Foundation and WCU program of the Ministry Education Science and Technology (Korea); Ministry of Education and Science, Russian Academy of Sciences, and Federal Agency of Atomic Energy (Russia); VR and Wallenberg Foundation (Sweden); the US Civilian Research and Development Foundation for the Independent States of the Former Soviet Union; the US-Hungarian Fulbright Foundation for Educational Exchange; and the US-Israel Binational Science Foundation. NR 28 TC 23 Z9 24 U1 10 U2 61 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD MAY 17 PY 2013 VL 87 IS 5 AR 054907 DI 10.1103/PhysRevC.87.054907 PG 8 WC Physics, Nuclear SC Physics GA 147XW UT WOS:000319205700003 ER PT J AU Lombriser, L Yoo, J Koyama, K AF Lombriser, Lucas Yoo, Jaiyul Koyama, Kazuya TI Relativistic effects in galaxy clustering in a parametrized post-Friedmann universe SO PHYSICAL REVIEW D LA English DT Article ID COSMIC VARIANCE; DARK-MATTER; PERTURBATIONS; COSMOLOGY; ENERGY; GRAVITATION; TOMOGRAPHY; GROWTH; BRANE; SPACE AB We explore the signatures of quintessence and modified gravity theories in the relativistic description of galaxy clustering within a parametrized post-Friedmann framework. For this purpose, we develop a calibration method to consistently account for horizon-scale effects in the linear parametrized post-Friedmann perturbations of minimally and nonminimally coupled scalar-tensor theories and test it against the full model-specific fluctuations. We further study the relativistic effects in galaxy clustering for the normal and self-accelerating branches of the Dvali-Gabadadze-Porrati braneworld model as well as for phenomenological modifications of gravity. We quantify the impact of modified gravity and dark energy models on galaxy clustering by computing the velocity-to-matter density ratio F, the velocity contribution R, and the potential contribution P and give an estimate of their detectability in future galaxy surveys. Our results show that, in general, the relativistic correction contains additional information on gravity and dark energy, which needs to be taken into account in consistent horizon-scale tests of departures from Lambda CDM using the galaxy-density field. C1 [Lombriser, Lucas; Koyama, Kazuya] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Yoo, Jaiyul] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Yoo, Jaiyul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lombriser, L (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. FU STFC [ST/H002774/1]; Leverhulme trust FX We thank Daniele Bertacca, Nico Hamaus, Roy Maartens, Francesco Pace, and Daniel Thomas for useful discussions. L. L. and K. K. are supported by the European Research Council. J. Y. is supported by the SNF Ambizione Grant. K. K. is also supported by the STFC (Grant No. ST/H002774/1) and the Leverhulme trust. Numerical computations have been performed with Wolfram Mathematica 8. NR 95 TC 36 Z9 36 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 17 PY 2013 VL 87 IS 10 AR 104019 DI 10.1103/PhysRevD.87.104019 PG 23 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 147YN UT WOS:000319208100002 ER PT J AU Liu, ACY Neish, MJ Stokol, G Buckley, GA Smillie, LA de Jonge, MD Ott, RT Kramer, MJ Bourgeois, L AF Liu, A. C. Y. Neish, M. J. Stokol, G. Buckley, G. A. Smillie, L. A. de Jonge, M. D. Ott, R. T. Kramer, M. J. Bourgeois, L. TI Systematic Mapping of Icosahedral Short-Range Order in a Melt-Spun Zr36Cu64 Metallic Glass SO PHYSICAL REVIEW LETTERS LA English DT Article ID CU-ZR ALLOYS; AMORPHOUS MATERIALS; LIQUID; MICRODIFFRACTION; SIMULATION AB By analyzing the angular correlations in scanning electron nanodiffraction patterns from a melt-spun Zr36Cu64 glass, the dominant local order was identified as icosahedral clusters. Mapping the extent of this icosahedral short-range order demonstrates that the medium-range order in this material is consistent with a face-sharing or interpenetrating configuration. These conclusions support results from atomistic modeling and a structural basis for the glass formability of this system. C1 [Liu, A. C. Y.; Neish, M. J.; Stokol, G.; Buckley, G. A.; Smillie, L. A.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Liu, A. C. Y.; Bourgeois, L.] Monash Univ, Monash Ctr Electron Microscopy, Clayton, Vic 3800, Australia. [Neish, M. J.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [de Jonge, M. D.] Australian Synchrotron, Clayton, Vic 3168, Australia. [Ott, R. T.; Kramer, M. J.] Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA. [Kramer, M. J.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Bourgeois, L.] Monash Univ, Dept Mat Engn, Clayton, Vic 3800, Australia. RP Liu, ACY (reprint author), Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. EM amelia.liu@monash.edu RI Neish, Melissa/J-3481-2013; de Jonge, Martin/C-3400-2011 OI Neish, Melissa/0000-0001-5775-6333; FU Australian Research Council [LE0454166]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; Science Faculty, Monash University; Monash Centre for Electron Microscopy (MCEM), Monash University FX A. C. Y. L. gratefully acknowledges the support of the Science Faculty and the Monash Centre for Electron Microscopy (MCEM), Monash University. The electron microscopy was performed at the MCEM. We thank Mr. Renji Pan, Dr. Russell King, Dr. Xi-Ya Fang, and Dr. Matthew Weyland of the MCEM for their assistance. The FEI Titan3 80-300 FEGTEM was funded by the Australian Research Council (Contract No. LE0454166). Samples were prepared and MD simulations were performed at Ames Laboratory, funded by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358. We thank Dr. M. Besser and Dr. M. Mendelev for their contributions, and Associate Professor David Paganin and Dr. Scott Findlay for contributions when preparing the manuscript. NR 28 TC 30 Z9 30 U1 5 U2 53 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 17 PY 2013 VL 110 IS 20 AR 205505 DI 10.1103/PhysRevLett.110.205505 PG 5 WC Physics, Multidisciplinary SC Physics GA 148AQ UT WOS:000319214800005 PM 25167428 ER PT J AU Rotundu, CR AF Rotundu, C. R. TI Comment on "Retention of the Tetragonal to Orthorhombic Structural Transition in F-Substituted SmFeAsO: A New Phase Diagram for SmFeAs(O1-xFx)" SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID SUPERCONDUCTORS C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Rotundu, CR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM CostelRRotundu@gmail.com OI Rotundu, Costel/0000-0002-1571-8352 NR 11 TC 2 Z9 2 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 17 PY 2013 VL 110 IS 20 AR 209701 DI 10.1103/PhysRevLett.110.209701 PG 2 WC Physics, Multidisciplinary SC Physics GA 148AQ UT WOS:000319214800009 PM 25167460 ER PT J AU Liu, R Xiao, T Cui, WP Shinar, J Shinar, R AF Liu, Rui Xiao, Teng Cui, Weipan Shinar, Joseph Shinar, Ruth TI Multiple approaches for enhancing all-organic electronics photoluminescent sensors: Simultaneous oxygen and pH monitoring SO ANALYTICA CHIMICA ACTA LA English DT Article DE Microcavity OLED; Photoluminescence; Microporous sensing films; Oxygen and pH sensor; Organic photodetector ID SOLAR-CELLS; PHASE-SEPARATION; LIGHT; POLYMER; CHIP; FILMS; PLATFORM; PLANAR AB Key issues in using organic light emitting diodes (OLEDs) as excitation sources in structurally integrated photoluminescence (PL)-based sensors are the low forward light outcoupling, the OLEDs' broad electroluminescence (EL) bands, and the long-lived remnant EL that follows an EL pulse. The outcoupling issue limits the detection sensitivity (S) as only similar to 20% of the light generated within standard OLEDs can be forward outcoupled and used for sensor probe excitation. The EL broad band interferes with the analyte-sensitive PL, leading to a background that reduces S and dynamic range. In particular, these issues hinder designing compact sensors, potentially miniaturizable, that are devoid of optical filters and couplers. We address these shortcomings by introducing easy-to-employ multiple approaches for outcoupling improvement, PL enhancement, and background EL reduction leading to novel, compact all-organic device architectures demonstrated for simultaneous monitoring of oxygen and pH. The sensor comprises simply-fabricated, directionally-emitting, narrower-band, multicolor microcavity OLED excitation and small molecule- and polymer-based organic photodetectors (OPDs) with a more selective spectral response. Additionally, S and PL intensity for oxygen are enhanced by using polystyrene (PS):polyethylene glycol (PEG) blends as the sensing film matrix. By utilizing higher molecular weight PS, the ratio tau(0)/tau(00) (PL decay time tau at 0% O-2/tau at 100% O-2) that is often used to express S increases x1.9 to 20.7 relative to the lower molecular weight PS, where this ratio is 11.0. This increase reduces to x1.7 when the PEG is added (tau(0)/tau(00) = 18.2), but the latter results in an increase x2.7 in the PL intensity. The sensor's response time is <10s in all cases. The microporous structure of these blended films, with PEG decorating PS pores, serves a dual purpose. It results in light scattering that reduces the EL that is waveguided in the substrate of the OLEDs and consequently enhances light outcoupling from the OLEDs by similar to 60%, and it increases the PL directed toward the OPD. The multiple functional structures of multicolor microcavity OLED pixels/microporous scattering films/OPDs enable generation of enhanced individually addressable sensor arrays, devoid of interfering issues, for O-2 and pH as well as for other analytes and biochemical parameters. (C) 2013 Elsevier B.V. All rights reserved. C1 [Liu, Rui; Xiao, Teng; Cui, Weipan; Shinar, Joseph] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Liu, Rui; Xiao, Teng; Cui, Weipan; Shinar, Joseph] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Shinar, Ruth] Iowa State Univ, Microelect Res Ctr, Ames, IA 50011 USA. [Shinar, Ruth] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. RP Shinar, J (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM jshinar@iastate.edu; rshinar@iastate.edu FU Iowa State University for the US Department of Energy (USDOE) [DE-AC 02-07CH11358] FX Ames Laboratory is operated by Iowa State University for the US Department of Energy (USDOE) under Contract No. DE-AC 02-07CH11358. This research was supported by Basic Energy Sciences, Materials Sciences and Engineering Division, USDOE. NR 37 TC 9 Z9 9 U1 5 U2 62 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD MAY 17 PY 2013 VL 778 BP 70 EP 78 DI 10.1016/j.aca.2013.03.042 PG 9 WC Chemistry, Analytical SC Chemistry GA 144SA UT WOS:000318959400010 PM 23639401 ER PT J AU Das, T Vorontsov, AB Vekhter, I Graf, MJ AF Das, Tanmoy Vorontsov, A. B. Vekhter, I. Graf, Matthias J. TI Field-angle-resolved anisotropy in superconducting CeCoIn5 using realistic Fermi surfaces SO PHYSICAL REVIEW B LA English DT Article ID D-WAVE SUPERCONDUCTORS; DENSITY-OF-STATES; HIGH MAGNETIC-FIELDS; THERMAL-CONDUCTIVITY; VORTEX STATE; UNCONVENTIONAL SUPERCONDUCTORS; TYPE-2 SUPERCONDUCTORS; TRANSPORT-PROPERTIES; ORDER-PARAMETER; HEAT AB We compute the field-angle-resolved specific heat and thermal conductivity using realistic model band structures for the heavy-fermion superconductor CeCoIn5 to identify the gap structure and location of nodes. We use a two-band tight-binding parametrization of the band dispersion as input for the self-consistent calculations in the quasiclassical formulation of the superconductivity. Systematic analysis shows that modest in-plane anisotropy in the density of states and Fermi velocity in tetragonal crystals significantly affects the fourfold oscillations in thermal quantities, when the magnetic field is rotated in the basal plane. The Fermi-surface anisotropy substantially shifts the location of the lines in the H-T plane, where the oscillations change sign compared to quasicylindrical model calculations. In particular, at high fields, the anisotropy and sign reversal are found even for isotropic gaps. Our findings imply that a simultaneous analysis of the specific heat and thermal conductivity, with an emphasis on the low-energy sector, is needed to restrict potential pairing scenarios in multiband superconductors. We discuss the impact of our results on recent measurements of the Ce-115 family, namely, CeT In-5 with T = Co, Rh, Ir. C1 [Das, Tanmoy; Graf, Matthias J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Vorontsov, A. B.] Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. [Vekhter, I.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. RP Das, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Das, Tanmoy/F-7174-2013; Vekhter, Ilya/M-1780-2013 FU US DOE through the LDRD [DE-AC52-06NA25396]; Office of Basic Energy Sciences (BES), Division of Materials Sciences and Engineering; NSF [DMR-1105339, DMR 0954342]; US DOE through BES [DE-AC02-05CH11231] FX We thank R. Movshovich, A. V. Balatsky, T. Park, F. Ronning, and J. D. Thompson for many discussions and encouragements. The work at LANL was funded by the US DOE under Contract No. DE-AC52-06NA25396 through the LDRD program (T.D.) and the Office of Basic Energy Sciences (BES), Division of Materials Sciences and Engineering (M.J.G.). Work at LSU was supported by NSF Grant No. DMR-1105339 (I.V.) and at MSU by NSF Grant No. DMR 0954342 (A.B.V.). We are grateful to a NERSC computing allocation by the US DOE through BES with Contract No. DE-AC02-05CH11231. NR 71 TC 9 Z9 9 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 17 PY 2013 VL 87 IS 17 AR 174514 DI 10.1103/PhysRevB.87.174514 PG 11 WC Physics, Condensed Matter SC Physics GA 147WZ UT WOS:000319202500003 ER PT J AU Lin, SZ Ayala-Valenzuela, O McDonald, RD Bulaevskii, LN Holesinger, TG Ronning, F Weisse-Bernstein, NR Williamson, TL Mueller, AH Hoffbauer, MA Rabin, MW Graf, MJ AF Lin, Shi-Zeng Ayala-Valenzuela, Oscar McDonald, Ross D. Bulaevskii, Lev N. Holesinger, Terry G. Ronning, Filip Weisse-Bernstein, Nina R. Williamson, Todd L. Mueller, Alexander H. Hoffbauer, Mark A. Rabin, Michael W. Graf, Matthias J. TI Characterization of the thin-film NbN superconductor for single-photon detection by transport measurements SO PHYSICAL REVIEW B LA English DT Article ID HOT-ELECTRON BOLOMETER; CUPRATE SUPERCONDUCTORS; ENERGY RELAXATION; NIOBIUM NITRIDE; QUASI-PARTICLE; MAGNETIC-FIELD; DARK COUNTS; INSTABILITY; TEMPERATURE; DEPENDENCE AB The fabrication of high-quality thin superconducting films is essential for single-photon detectors. Their device performance is crucially affected by their material parameters, thus requiring reliable and nondestructive characterization methods after the fabrication and patterning processes. Important material parameters to know are the resistivity, superconducting transition temperature, relaxation time of quasiparticles, and uniformity of patterned wires. In this work, we characterize micropatterned thin NbN films by using transport measurements in magnetic fields. We show that from the instability of vortex motion at high currents in the flux-flow state of the IV characteristic, the inelastic lifetime of quasiparticles can be determined to be about 2 ns. Additionally, from the depinning transition of vortices at low currents, as a function of magnetic field, the size distribution of grains can be extracted. This size distribution is found to be in agreement with the film morphology obtained from scanning electron microscopy and high-resolution transmission electron microscopy images. C1 [Lin, Shi-Zeng; Ayala-Valenzuela, Oscar; McDonald, Ross D.; Bulaevskii, Lev N.; Holesinger, Terry G.; Ronning, Filip; Weisse-Bernstein, Nina R.; Williamson, Todd L.; Mueller, Alexander H.; Hoffbauer, Mark A.; Rabin, Michael W.; Graf, Matthias J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lin, SZ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI McDonald, Ross/H-3783-2013; Lin, Shi-Zeng/B-2906-2008; OI McDonald, Ross/0000-0002-0188-1087; Lin, Shi-Zeng/0000-0002-4368-5244; Ronning, Filip/0000-0002-2679-7957; Mcdonald, Ross/0000-0002-5819-4739 FU US DOE, through the LDRD program at Los Alamos National Laboratory [DE-AC52-06NA25396]; Center for Integrated Nanotechnologies, an Office of Science User Facility; National High Magnetic Field Laboratory; US DOE; NSF; State of Florida FX This work was performed under the auspices of the US DOE, Contract No. DE-AC52-06NA25396, through the LDRD program at Los Alamos National Laboratory, the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the US DOE, and the National High Magnetic Field Laboratory, which is jointly supported by the US DOE, NSF, and the State of Florida. NR 63 TC 6 Z9 6 U1 9 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 17 PY 2013 VL 87 IS 18 AR 184507 DI 10.1103/PhysRevB.87.184507 PG 9 WC Physics, Condensed Matter SC Physics GA 147XI UT WOS:000319203900003 ER PT J AU Brinker, CJ Clem, PG AF Brinker, C. Jeffrey Clem, Paul G. TI Quartz on Silicon SO SCIENCE LA English DT Editorial Material ID THIN-FILMS; RESONATORS C1 [Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Brinker, C. Jeffrey; Clem, Paul G.] Sandia Natl Labs, Self Assembled Mat Dept, Albuquerque, NM 87185 USA. [Brinker, C. Jeffrey; Clem, Paul G.] Sandia Natl Labs, Elect Opt & Nano Mat Dept, Albuquerque, NM 87185 USA. RP Brinker, CJ (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM cjbrink@sandia.gov; pgclem@sandia.gov NR 15 TC 3 Z9 3 U1 4 U2 75 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 17 PY 2013 VL 340 IS 6134 BP 818 EP 819 DI 10.1126/science.1236752 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 145EM UT WOS:000318997400028 PM 23687034 ER PT J AU Yu, M Doak, P Tamblyn, I Neaton, JB AF Yu, Min Doak, Peter Tamblyn, Isaac Neaton, Jeffrey B. TI Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; TERMINATED SI(111) SURFACES; ELECTRONIC-PROPERTIES; QUASI-PARTICLE; MOLECULAR CATALYSTS; APPROXIMATION; SPECTROSCOPY; CONDUCTANCE; WATER AB Functional hybrid interfaces between organic molecules and semiconductors are central to many emerging information and solar energy conversion technologies. Here we demonstrate a general, empirical parameter-free approach for computing and understanding frontier orbital energies - or - redox levels - of a broad class of covalently bonded organic - semiconductor surfaces. We develop this framework in the context of specific density functional theory (DFT) and many-body perturbation theory calculations, within the GW approximation, of an exemplar interface, thiophene-functionalized silicon (111). Through detailed calculations taking into account structural and binding energetics of mixed-monolayers consisting of both covalently attached thiophene and hydrogen, chlorine, methyl, and other passivating groups, we quantify the impact of coverage, nonlocal polarization, and interface dipole effects on the alignment of the thiophene frontier orbital energies with the silicon band edges. For thiophene adsorbate frontier orbital energies, we observe significant corrections to standard DFT (similar to 1 eV), including large nonlocal electrostatic polarization effects (similar to 1.6 eV). Importantly, both results can be rationalized from knowledge of the electronic structure of the isolated thiophene molecule and silicon substrate systems. Silicon band edge energies are predicted to vary by more than 2.5 eV, while molecular orbital energies stay similar, with the different functional groups studied, suggesting the prospect of tuning energy alignment over a wide range for photoelectrochemistry and other applications. C1 [Yu, Min] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Yu, Min; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Doak, Peter] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Tamblyn, Isaac] Univ Ontario, Dept Phys, Inst Technol, Oshawa, ON, Canada. RP Yu, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. EM minyu@lbl.gov; jbneaton@lbl.gov RI Doak, Peter/A-1910-2016; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; OI Doak, Peter/0000-0001-6039-9752; Neaton, Jeffrey/0000-0001-7585-6135; Tamblyn, Isaac/0000-0002-8146-6667 FU Office of Science of the U.S. Department of Energy [DE-SC0004993]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was performed at the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. Portions of the work made use of the Molecular Foundry, supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. Computational resources were provided by NERSC. NR 46 TC 15 Z9 15 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD MAY 16 PY 2013 VL 4 IS 10 BP 1701 EP 1706 DI 10.1021/jz400601t PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 183DI UT WOS:000321793800020 PM 26282981 ER PT J AU Kang, LL Xu, P Chen, DT Zhang, B Du, YC Han, XJ Li, Q Wang, HL AF Kang, Leilei Xu, Ping Chen, Dengtai Zhang, Bin Du, Yunchen Han, Xijiang Li, Qing Wang, Hsing-Lin TI Amino Acid-Assisted Synthesis of Hierarchical Silver Microspheres for Single Particle Surface-Enhanced Raman Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID BUILDING-BLOCKS; METAL-OXIDES; NANOPARTICLES; NANOSTRUCTURES; AMINOTHIOPHENOL; NANOCRYSTALS; FABRICATION; SCATTERING; FILMS; AG AB We demonstrate the use of amino acids as directing agents to synthesize hierarchical silver microspheres assembled by nanosheets with well morphologies, in the absence of any other surfactants or capping agents. This fabrication method avoids the absorption of macromolecules and enables clean surface on the Ag microspheres. The chemical nature of the amino acids plays a vital role in the hierarchical structure of the Ag microspheres. As found, amino acids with simple structures and 2-3 carbon atoms like alanine and glycine lead to more loosely packed Ag microspheres, and those with more complicated structures and more carbon atoms, e.g. glycine, glutamine, and asparagine, result in close packed Ag particles assembled by thinner nanosheets. By adjusting the concentration of AgNO3 solution, size as well as the surface roughness of the Ag microspheres can be well controlled. Individual particles of the constructed hierarchical Ag microspheres with highly roughened surface can act as sensitive SERS platforms. Detection of chemical molecules and monitoring of the plasmon-driven chemical reactions have been carried out through a single particle SERS technique. C1 [Kang, Leilei; Xu, Ping; Chen, Dengtai; Zhang, Bin; Du, Yunchen; Han, Xijiang] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. [Xu, Ping; Li, Qing; Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Xu, P (reprint author), Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. EM pxu@hit.edu.cn; hanxj63@yahoo.com.cn RI Xu, Ping/I-1910-2013; Li, Qing/G-4502-2011; chen, dengtai/G-1068-2011 OI Xu, Ping/0000-0002-1516-4986; Li, Qing/0000-0003-4807-030X; chen, dengtai/0000-0003-1789-885X FU NSFC [21203045, 21101041, 21003029, 21071037, 91122002]; Fundamental Research Funds for the Central Universities [HIT. NSRIF. 2010065, HIT. NSRIF. 2011017, HIT.BRETIII. 201223] FX P.X. thanks the support from the China Postdoctor Fund, NSFC (No. 21203045, 21101041, 21003029, 21071037, and 91122002), Fundamental Research Funds for the Central Universities (Grant No. HIT. NSRIF. 2010065 and 2011017, and HIT.BRETIII. 201223), and Director's Postdoctoral Fellow from LANL. NR 40 TC 29 Z9 29 U1 4 U2 90 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 MAY 16 PY 2013 VL 117 IS 19 BP 10007 EP 10012 DI 10.1021/jp400572z PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 154CM UT WOS:000319649100053 ER PT J AU Aaltonen, T Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Appel, JA Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Auerbach, B Aurisano, A Azfar, F Badgett, W Bae, T Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bauce, M Bedeschi, F Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Bhatti, A Bland, KR Blumenfeld, B Bocci, A Bodek, A Bortoletto, D Boudreau, J Boveia, A Brigliadori, L Bromberg, C Brucken, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Butti, P Buzatu, A Calamba, A Camarda, S Campanelli, M Canelli, F Carls, B Carlsmith, D Carosi, R Carrillo, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chen, YC Chertok, M Chiarelli, G Chlachidze, G Cho, K Chokheli, D Ciocci, MA Clark, A Clarke, C Convery, ME Conway, J Corbo, M Cordelli, M Cox, CA Cox, DJ Cremonesi, M Cruz, D Cuevas, J Culbertson, R d'Ascenzo, N Datta, M De Barbaro, P Demortier, L Deninno, M d'Errico, M Devoto, F Di Canto, A Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dorigo, M Driutti, A Ebina, K Edgar, R Elagin, A Erbacher, R Errede, S Esham, B Eusebi, R Farrington, S Ramos, JPF Field, R Flanagan, G Forrest, R Franklin, M Freeman, JC Frisch, H Funakoshi, Y Garfinkel, AF Garosi, P Gerberich, H Gerchtein, E Giagu, S Giakoumopoulou, V Gibson, K Ginsburg, CM Giokaris, N Giromini, P Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldin, D Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Lopez, OG Gorelov, I Goshaw, AT Goulianos, K Gramellini, E Grinstein, S Grosso-Pilcher, C Group, RC da Costa, JG Hahn, SR Han, JY Happacher, F Hara, K Hare, M Harr, RF Harrington-Taber, T Hatakeyama, K Hays, C Heinrich, J Herndon, M Hocker, A Hong, Z Hopkins, W Hou, S Hughes, RE Husemann, U Hussein, M Huston, J Introzzi, G Iori, M Ivanov, A James, E Jang, D Jayatilaka, B Jeon, EJ Jindariani, S Jones, M Joo, KK Jun, SY Junk, TR Kambeitz, M Kamon, T Karchin, PE Kasmi, A Kato, Y Ketchum, W Keung, J Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YJ Kim, YK Kimura, N Kirby, M Knoepfel, K Kondo, K Kong, DJ Konigsberg, J Kotwal, AV Kreps, M Kroll, J Kruse, M Kuhr, T Kurata, M Laasanen, AT Lammel, S Lancaster, M Lannon, K Latino, G Lee, HS Lee, JS Leo, S Leone, S Lewis, JD Limosani, A Lipeles, E Lister, A Liu, H Liu, Q Liu, T Lockwitz, S Loginov, A Luca, A Lucchesi, D Lueck, J Lujan, P Lukens, P Lungu, G Lys, J Lysak, R Madrak, R Maestro, P Malik, S Manca, G Manousakis-Katsikakis, A Margaroli, F Marino, P Martinez, M Matera, K Mattson, ME Mazzacane, A Mazzanti, P McNulty, R Mehta, A Mehtala, P Mesropian, C Miao, T Mietlicki, D Mitra, A Miyake, H Moed, S Moggi, N Moon, CS Moore, R Morello, MJ Mukherjee, A Muller, T Murat, P Mussini, M Nachtman, J Nagai, Y Naganoma, J Nakano, I Napier, A Nett, J Neu, C Nigmanov, T Nodulman, L Noh, SY Norniella, O Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Ortolan, L Pagliarone, C Palencia, E Palni, P Papadimitriou, V Parker, W Pauletta, G Paulini, M Paus, C Phillips, TJ Piacentino, G Pianori, E Pilot, J Pitts, K Plager, C Pondrom, L Poprocki, S Potamianos, K Pranko, A Prokoshin, F Ptohos, F Punzi, G Ranjan, N Fernandez, IR Renton, P Rescigno, M Rimondi, F Ristori, L Robson, A Rodriguez, T Rolli, S Ronzani, M Roser, R Rosner, JL Ruffini, F Ruiz, A Russ, J Rusu, V Sakumoto, WK Sakurai, Y Santi, L Sato, K Saveliev, V Savoy-Navarro, A Schlabach, P Schmidt, EE Schwarz, T Scodellaro, L Scuri, F Seidel, S Seiya, Y Semenov, A Sforza, F Shalhout, SZ Shears, T Shepard, PF Shimojima, M Shochet, M Shreyber-Tecker, I Simonenko, A Sinervo, P Sliwa, K Smith, JR Snider, FD Song, H Sorin, V Stancari, M St Denis, R Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Sudo, Y Sukhanov, A Suslov, I Takemasa, K Takeuchi, Y Tang, J Tecchio, M Teng, PK Thom, J Thomson, E Thukral, V Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Totaro, P Trovato, M Ukegawa, F Uozumi, S Vazquez, F Velev, G Vellidis, C Vernieri, C Vidal, M Vilar, R Vizan, J Vogel, M Volpi, G Wagner, P Wallny, R Wang, SM Warburton, A Waters, D Wester, WC Whiteson, D Wicklund, AB Wilbur, S Williams, HH Wilson, JS Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, H Wright, T Wu, X Wu, Z Yamamoto, K Yamato, D Yang, T Yang, UK Yang, YC Yao, WM Yeh, GP Yi, K Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Zanetti, AM Zeng, Y Zhou, C Zucchelli, S AF Aaltonen, T. Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Appel, J. A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Auerbach, B. Aurisano, A. Azfar, F. Badgett, W. Bae, T. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Barria, P. Bartos, P. Bauce, M. Bedeschi, F. Behari, S. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Bhatti, A. Bland, K. R. Blumenfeld, B. Bocci, A. Bodek, A. Bortoletto, D. Boudreau, J. Boveia, A. Brigliadori, L. Bromberg, C. Brucken, E. Budagov, J. Budd, H. S. Burkett, K. Busetto, G. Bussey, P. Butti, P. Buzatu, A. Calamba, A. Camarda, S. Campanelli, M. Canelli, F. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Cho, K. Chokheli, D. Ciocci, M. A. Clark, A. Clarke, C. Convery, M. E. Conway, J. Corbo, M. Cordelli, M. Cox, C. A. Cox, D. J. Cremonesi, M. Cruz, D. Cuevas, J. Culbertson, R. d'Ascenzo, N. Datta, M. De Barbaro, P. Demortier, L. Deninno, M. d'Errico, M. Devoto, F. Di Canto, A. Di Ruzza, B. Dittmann, J. R. D'Onofrio, M. Donati, S. Dorigo, M. Driutti, A. Ebina, K. Edgar, R. Elagin, A. Erbacher, R. Errede, S. Esham, B. Eusebi, R. Farrington, S. Fernandez Ramos, J. P. Field, R. Flanagan, G. Forrest, R. Franklin, M. Freeman, J. C. Frisch, H. Funakoshi, Y. Garfinkel, A. F. Garosi, P. Gerberich, H. Gerchtein, E. Giagu, S. Giakoumopoulou, V. Gibson, K. Ginsburg, C. M. Giokaris, N. Giromini, P. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldin, D. Golossanov, A. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez Lopez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gramellini, E. Grinstein, S. Grosso-Pilcher, C. Group, R. C. da Costa, J. Guimaraes Hahn, S. R. Han, J. Y. Happacher, F. Hara, K. Hare, M. Harr, R. F. Harrington-Taber, T. Hatakeyama, K. Hays, C. Heinrich, J. Herndon, M. Hocker, A. Hong, Z. Hopkins, W. Hou, S. Hughes, R. E. Husemann, U. Hussein, M. Huston, J. Introzzi, G. Iori, M. Ivanov, A. James, E. Jang, D. Jayatilaka, B. Jeon, E. J. Jindariani, S. Jones, M. Joo, K. K. Jun, S. Y. Junk, T. R. Kambeitz, M. Kamon, T. Karchin, P. E. Kasmi, A. Kato, Y. Ketchum, W. Keung, J. Kilminster, B. Kim, D. H. Kim, H. S. Kim, J. E. Kim, M. J. Kim, S. B. Kim, S. H. Kim, Y. J. Kim, Y. K. Kimura, N. Kirby, M. Knoepfel, K. Kondo, K. Kong, D. J. Konigsberg, J. Kotwal, A. V. Kreps, M. Kroll, J. Kruse, M. Kuhr, T. Kurata, M. Laasanen, A. T. Lammel, S. Lancaster, M. Lannon, K. Latino, G. Lee, H. S. Lee, J. S. Leo, S. Leone, S. Lewis, J. D. Limosani, A. Lipeles, E. Lister, A. Liu, H. Liu, Q. Liu, T. Lockwitz, S. Loginov, A. Luca, A. Lucchesi, D. Lueck, J. Lujan, P. Lukens, P. Lungu, G. Lys, J. Lysak, R. Madrak, R. Maestro, P. Malik, S. Manca, G. Manousakis-Katsikakis, A. Margaroli, F. Marino, P. Martinez, M. Matera, K. Mattson, M. E. Mazzacane, A. Mazzanti, P. McNulty, R. Mehta, A. Mehtala, P. Mesropian, C. Miao, T. Mietlicki, D. 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CA CDF Collaboration TI Search for Supersymmetry with Like-Sign Lepton-Tau Events at CDF SO PHYSICAL REVIEW LETTERS LA English DT Article ID MISSING TRANSVERSE-MOMENTUM; PROTON-PROTON COLLISIONS; ROOT-S=7 TEV; STANDARD MODEL; BREAKING; PHYSICS; SIGNATURES; PARTICLES; DETECTOR; SQUARKS AB We present a search for chargino-neutralino associated production using like electric charge dilepton events collected by the CDF II detector at the Fermilab Tevatron in proton-antiproton collisions at root s = 1.96 TeV. One lepton is identified as the hadronic decay of a tau lepton, while the other is an electron or muon. In data corresponding to 6.0 fb(-1) of integrated luminosity, we obtain good agreement with standard model predictions and set limits on the chargino-neutralino production cross section for simplified gravity-and gauge-mediated models. As an example, assuming that the chargino and neutralino decays to taus dominate, in the simplified gauge-mediated model we exclude cross sections greater than 300 fb at 95% credibility level for chargino and neutralino masses of 225 GeV/c(2). This analysis is the first to extend the LHC searches for electroweak supersymmetric production of gauginos to high tan beta and slepton next-to-lightest supersymmetric particle scenarios. C1 [Chen, Y. C.; Hou, S.; Mitra, A.; Teng, P. K.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Auerbach, B.; Nodulman, L.; Wicklund, A. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Giakoumopoulou, V.; Giokaris, N.; Manousakis-Katsikakis, A.] Univ Athens, GR-15771 Athens, Greece. [Camarda, S.; Cavalli-Sforza, M.; Grinstein, S.; Martinez, M.; Ortolan, L.; Sorin, V.] Univ Autonoma Barcelona, ICREA, Inst Fis Altes Energies, E-08193 Bellaterra, Barcelona, Spain. [Bland, K. R.; Dittmann, J. 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RI vilar, rocio/P-8480-2014; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Prokoshin, Fedor/E-2795-2012; Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Marino, Pietro/N-7030-2015; song, hao/I-2782-2012; Gorelov, Igor/J-9010-2015; Ivanov, Andrew/A-7982-2013; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Robson, Aidan/G-1087-2011; maestro, paolo/E-3280-2010; Chiarelli, Giorgio/E-8953-2012; Lysak, Roman/H-2995-2014; Moon, Chang-Seong/J-3619-2014; Scodellaro, Luca/K-9091-2014; Punzi, Giovanni/J-4947-2012; Grinstein, Sebastian/N-3988-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014 OI Margaroli, Fabrizio/0000-0002-3869-0153; Group, Robert/0000-0002-4097-5254; Simonenko, Alexander/0000-0001-6580-3638; Lancaster, Mark/0000-0002-8872-7292; Casarsa, Massimo/0000-0002-1353-8964; Latino, Giuseppe/0000-0002-4098-3502; ciocci, maria agnese /0000-0003-0002-5462; Prokoshin, Fedor/0000-0001-6389-5399; Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Marino, Pietro/0000-0003-0554-3066; song, hao/0000-0002-3134-782X; Gorelov, Igor/0000-0001-5570-0133; Toback, David/0000-0003-3457-4144; Jun, Soon Yung/0000-0003-3370-6109; iori, maurizio/0000-0002-6349-0380; Vidal Marono, Miguel/0000-0002-2590-5987; Hays, Chris/0000-0003-2371-9723; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Dorigo, Mirco/0000-0002-0681-6946; Brucken, Jens Erik/0000-0001-6066-8756; Torre, Stefano/0000-0002-7565-0118; Ivanov, Andrew/0000-0002-9270-5643; Warburton, Andreas/0000-0002-2298-7315; maestro, paolo/0000-0002-4193-1288; Chiarelli, Giorgio/0000-0001-9851-4816; Moon, Chang-Seong/0000-0001-8229-7829; Scodellaro, Luca/0000-0002-4974-8330; Punzi, Giovanni/0000-0002-8346-9052; Grinstein, Sebastian/0000-0002-6460-8694; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155 FU U.S. Department of Energy; National Science Foundation; Italian Istituto Nazionale di Fisica Nucleare; Ministry of Education, Culture, Sports, Science and Technology of Japan; Natural Sciences and Engineering Research Council of Canada; National Science Council of the Republic of China; Swiss National Science Foundation; A. P. Sloan Foundation; Bundesministerium fur Bildung und Forschung, Germany; Korean World Class University Program of Korea; National Research Foundation of Korea; Science and Technology Facilities Council, United Kingdom; Royal Society, United Kingdom; Russian Foundation for Basic Research; Ministerio de Ciencia e Innovacion, Spain; Programa Consolider-Ingenio, Spain; Slovak RD Agency; Academy of Finland; Australian Research Council (ARC); EU community Marie Curie Fellowship [302103] FX We thank Howie Baer, Markus Luty, Natalia Toro, Josh Ruderman, and David Hsih for theoretical guidance. We thank the Fermilab staff and the technical staffs of the participating institutions for their vital contributions. This work was supported by the U.S. Department of Energy and National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the Ministry of Education, Culture, Sports, Science and Technology of Japan; the Natural Sciences and Engineering Research Council of Canada; the National Science Council of the Republic of China; the Swiss National Science Foundation; the A. P. Sloan Foundation; the Bundesministerium fur Bildung und Forschung, Germany; the Korean World Class University Program, the National Research Foundation of Korea; the Science and Technology Facilities Council and the Royal Society, United Kingdom; the Russian Foundation for Basic Research; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Slovak R&D Agency; the Academy of Finland; the Australian Research Council (ARC); and the EU community Marie Curie Fellowship Contract No. 302103. NR 40 TC 3 Z9 3 U1 2 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 16 PY 2013 VL 110 IS 20 AR 201802 DI 10.1103/PhysRevLett.110.201802 PG 8 WC Physics, Multidisciplinary SC Physics GA 147VW UT WOS:000319198000004 ER PT J AU Riley, BJ Johnson, BR Schaef, HT Sundararn, SK AF Riley, Brian J. Johnson, Bradley R. Schaef, H. Todd Sundararn, Shanmugayelayutham K. TI Sublimation-Condensation of Multiscale Tellurium Structures SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID MICROWAVE-ASSISTED SYNTHESIS; GROWTH-MECHANISM; NANOWIRES; NANOTUBES; NANOSTRUCTURES; NANORODS AB This paper presents a simple process for making tellurium (Te) nano- and microtubes of widely varying dimensions with the multiscale processing (MSP) technique. In this process, the Te metal was placed in a borosilicate glass reaction vessel and a fused quartz substrate was added. The vessel was evacuated and sealed under vacuum with a torch. Then, the vessel was heated under a temperature gradient where the portion of the tube with the substrate was under a decreasing temperature gradient Scanning and transmission electron microscopies have shown that multifaceted crystalline tubes have been formed extending from nano- up to micrometer scale with diameters ranging from 51.2 +/- 5.9 to 1042 +/- 134 nm between temperatures of 157 and 224 degrees C, respectively. One-dimensional tubular features are seen at lower temperatures and three-dimensional features at the higher temperatures. These features were characterized with X-ray diffraction and found to be trigonal Te with space group P3121. Our results show that the MSP can adequately be described using a simple Arrhenius equation. C1 [Riley, Brian J.; Johnson, Bradley R.; Schaef, H. Todd] Pacific NW Natl Lab, Richland, WA 99352 USA. [Sundararn, Shanmugayelayutham K.] Alfred Univ, Alfred, NY 14802 USA. RP Riley, BJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM brian.riley@pnnl.gov OI Riley, Brian/0000-0002-7745-6730 FU U.S. Department of Energy by Battelle [DEAC05-76RL01830]; Defense Advanced Research Projects Agency; Kazuo Inamori School of Engineering, Alfred University by the Kyocera Corporation, Japan FX Pacific Northwest National Laboratory (PNNL) is operated for the U.S. Department of Energy by Battelle under Contract DEAC05-76RL01830. This work was funded by the Defense Advanced Research Projects Agency. The authors thank James Martinez and Juliana Olmstead for their help with supplementary work that provided insight into the current experiments and Michael Perkins for help with the figure graphics. S.K.S. acknowledges the support of the endowed Inamori Professorship at Kazuo Inamori School of Engineering, Alfred University by the Kyocera Corporation, Japan. NR 34 TC 0 Z9 0 U1 2 U2 19 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 MAY 16 PY 2013 VL 117 IS 19 BP 10128 EP 10134 DI 10.1021/jp400363a PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 154CM UT WOS:000319649100067 ER PT J AU Rajczak, J Pall, P Schar, C AF Rajczak, J. Pall, P. Schaer, C. TI Projections of extreme precipitation events in regional climate simulations for Europe and the Alpine Region SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE climate change; heavy precipitation; extreme events ID HEAVY PRECIPITATION; MODEL PROJECTIONS; TEMPERATURE; SWITZERLAND; ENSEMBLE; TRENDS; ALPS; 20TH-CENTURY; VARIABILITY; 21ST-CENTURY AB Regional climate models (RCMs) from the ENSEMBLES project are analyzed to assess projected changes in 21st century heavy and extreme precipitation events over Europe. A set of 10 RCMs with horizontal grid spacing of 25 km is considered, which are driven by six GCMs under an A1B greenhouse gas scenario. The diagnostics include basic precipitation indices (including mean, wet-day frequency, intensity, and percentile exceedance) and application of generalized extreme value theory for return periods up to 100 years. Changes in precipitation climate between present (1970-1999) and future (2070-2099) conditions are presented on a European scale and in more detail for 11 European regions (mostly in supplemental figures). On the European scale, projections show increases (decreases) in mean amounts and wet-day frequency in northern (southern) Europe. This pattern is oscillating with the seasonal cycle. Changes in extremes exhibit a similar pattern, but increases in heavy events reach much further south. For instance, during spring and fall, much of the Mediterranean is projected to experience decreases in mean precipitation but increases in heavy events. Thus, projected changes in mean and extremes may show different signals. The inter-model spread is partly attributable to a GCM-dependent clustering of the climate change signal, but also affected by RCM uncertainties, in particular in summer. Despite these uncertainties, many of the projected changes are statistically significant and consistent across models. For instance, for the Alps, all models project an intensification of heavy events during fall, and these changes are statistically significant for a majority of the models considered. C1 [Rajczak, J.; Pall, P.; Schaer, C.] ETH, Inst Atmospher & Climate Sci, CH-8092 Zurich, Switzerland. [Pall, P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rajczak, J (reprint author), ETH, Inst Atmospher & Climate Sci, Univ Str 16, CH-8092 Zurich, Switzerland. EM jan.rajczak@env.ethz.ch RI Schar, Christoph/A-1033-2008 OI Schar, Christoph/0000-0002-4171-1613 FU Swiss National Science Foundation through the SNSF Sinergia [CRSII2_136279] FX We acknowledge the RCM data sets and E-OBS data set from the EU-FP6 project ENSEMBLES(http://ensembles-eu.metoffice.com). This research was partly funded by the Swiss National Science Foundation through the SNSF Sinergia project CRSII2_136279 "The Evolution of Mountain Permafrost in Switzerland" (TEMPS). Logistical support in assessing the ENSEMBLES data set was provided by Erich Fischer, Sven Kotlarski and the Center for Climate Systems Modeling (C2SM) at ETH Zurich. We also acknowledge Christoph Frei for very valuable comments and support during the preparation of the analyses. NR 60 TC 70 Z9 71 U1 5 U2 76 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 16 PY 2013 VL 118 IS 9 BP 3610 EP 3626 DI 10.1002/jgrd.50297 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 155JU UT WOS:000319744700012 ER PT J AU Saito, R Patra, PK Sweeney, C Machida, T Krol, M Houweling, S Bousquet, P Agusti-Panareda, A Belikov, D Bergmann, D Bian, HS Cameron-Smith, P Chipperfield, MP Fortems-Cheiney, A Fraser, A Gatti, LV Gloor, E Hess, P Kawa, SR Law, RM Locatelli, R Loh, Z Maksyutov, S Meng, L Miller, JB Palmer, PI Prinn, RG Rigby, M Wilson, C AF Saito, Ryu Patra, Prabir K. Sweeney, Colm Machida, Toshinobu Krol, Maarten Houweling, Sander Bousquet, Philippe Agusti-Panareda, Anna Belikov, Dmitry Bergmann, Dan Bian, Huisheng Cameron-Smith, Philip Chipperfield, Martyn P. Fortems-Cheiney, Audrey Fraser, Annemarie Gatti, Luciana V. Gloor, Emanuel Hess, Peter Kawa, Stephan R. Law, Rachel M. Locatelli, Robin Loh, Zoe Maksyutov, Shamil Meng, Lei Miller, John B. Palmer, Paul I. Prinn, Ronald G. Rigby, Matthew Wilson, Christopher TI TransCom model simulations of methane: Comparison of vertical profiles with aircraft measurements SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE TransCom Methane; CH4 vertical profile; vertical; horizontal gradient ID CHEMICAL-TRANSPORT MODEL; ATMOSPHERIC CO2; TROPOSPHERE; STRATOSPHERE; VARIABILITY; SENSITIVITY; VERSION; OZONE; FLUX; AIR AB To assess horizontal and vertical transports of methane (CH4) concentrations at different heights within the troposphere, we analyzed simulations by 12 chemistry transport models (CTMs) that participated in the TransCom-CH4 intercomparison experiment. Model results are compared with aircraft measurements at 13 sites in Amazon/Brazil, Mongolia, Pacific Ocean, Siberia/Russia, and United States during the period of 2001-2007. The simulations generally show good agreement with observations for seasonal cycles and vertical gradients. The correlation coefficients of the daily averaged model and observed CH4 time series for the analyzed years are generally larger than 0.5, and the observed seasonal cycle amplitudes are simulated well at most sites, considering the between-model variances. However, larger deviations show up below 2 km for the model-observation differences in vertical profiles at some locations, e.g., at Santarem, Brazil, and in the upper troposphere, e.g., at Surgut, Russia. Vertical gradients and concentrations are underestimated at Southern Great Planes, United States, and Santarem and overestimated at Surgut. Systematic overestimation and underestimation of vertical gradients are mainly attributed to inaccurate emission and only partly to the transport uncertainties. However, large differences in model simulations are found over the regions/seasons of strong convection, which is poorly represented in the models. Overall, the zonal and latitudinal variations in CH4 are controlled by surface emissions below 2.5 km and transport patterns in the middle and upper troposphere. We show that the models with larger vertical gradients, coupled with slower horizontal transport, exhibit greater CH4 interhemispheric gradients in the lower troposphere. These findings have significant implications for the future development of more accurate CTMs with the possibility of reducing biases in estimated surface fluxes by inverse modeling. C1 [Saito, Ryu; Patra, Prabir K.] Res Inst Global Change JAMSTEC, Yokohama, Kanagawa 2360001, Japan. [Patra, Prabir K.] Tohoku Univ, Ctr Atmospher & Ocean Studies, Sendai, Miyagi 980, Japan. [Sweeney, Colm; Miller, John B.] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Machida, Toshinobu; Belikov, Dmitry; Maksyutov, Shamil] Natl Inst Environm Studies, Ctr Global Environm Res, Tsukuba, Ibaraki, Japan. [Krol, Maarten] Univ Wageningen & Res Ctr, Wageningen, Netherlands. [Krol, Maarten; Houweling, Sander] SRON Netherlands Inst Space Res, Utrecht, Netherlands. [Bousquet, Philippe; Fortems-Cheiney, Audrey; Locatelli, Robin] Univ Versailles St Quentin Yvelines, Gif Sur Yvette, France. [Agusti-Panareda, Anna] European Ctr Medium Range Weather Forecasts, Reading RG2 9AX, Berks, England. [Bergmann, Dan; Cameron-Smith, Philip] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA USA. [Bian, Huisheng; Kawa, Stephan R.] NASA, Goddard Space Flight Ctr, Goddard Earth Sci & Technol Ctr, Greenbelt, MD 20771 USA. [Chipperfield, Martyn P.; Gloor, Emanuel; Wilson, Christopher] Univ Leeds, Sch Earth & Environm, Inst Climate & Atmospher Sci, Leeds, W Yorkshire, England. [Fraser, Annemarie; Palmer, Paul I.] Univ Edinburgh, School GeoSci, Edinburgh, Midlothian, Scotland. [Gatti, Luciana V.] Inst Pesquisas Energet & Nucl, Div Quim Ambiental, Sao Paulo, Brazil. [Hess, Peter] Cornell Univ, Ithaca, NY USA. [Law, Rachel M.; Loh, Zoe] CSIRO Marine & Atmospher Res, Ctr Australian Weather & Climate Res, Aspendale, Vic, Australia. [Meng, Lei] Western Michigan Univ, Dept Geog, Kalamazoo, MI 49008 USA. [Meng, Lei] Western Michigan Univ, Environm Studies Program, Kalamazoo, MI 49008 USA. [Prinn, Ronald G.; Rigby, Matthew] MIT, Ctr Global Change Sci, Cambridge, MA 02139 USA. [Rigby, Matthew] Univ Bristol, Sch Chem, Bristol, Avon, England. RP Patra, PK (reprint author), Res Inst Global Change JAMSTEC, 3173-25 Showa Machi, Yokohama, Kanagawa 2360001, Japan. EM prabir@jamstec.go.jp RI Law, Rachel/A-1969-2012; Meng, Lei/H-5253-2013; Chipperfield, Martyn/H-6359-2013; Rigby, Matthew/A-5555-2012; Kawa, Stephan/E-9040-2012; Cameron-Smith, Philip/E-2468-2011; Maksyutov, Shamil/G-6494-2011; Hess, Peter/M-3145-2015; Belikov, Dmitry/I-9877-2016; Fraser, Annemarie/D-3874-2012; Krol, Maarten/E-3414-2013; Bergmann, Daniel/F-9801-2011; Palmer, Paul/F-7008-2010 OI Wilson, Chris/0000-0001-8494-0697; Law, Rachel/0000-0002-7346-0927; Chipperfield, Martyn/0000-0002-6803-4149; Rigby, Matthew/0000-0002-2020-9253; Cameron-Smith, Philip/0000-0002-8802-8627; Maksyutov, Shamil/0000-0002-1200-9577; Hess, Peter/0000-0003-2439-3796; Bergmann, Daniel/0000-0003-4357-6301; FU JSPS/MEXT KAKENHI-A [22241008]; UK Natural Environment Research Council National Centre for Earth Observation; NASA-AGAGE [NNX07AE89G, NNX11AF17G]; NERC Advanced Fellowship; NERC/NCEO; European Community [283576] FX This work was supported by JSPS/MEXT KAKENHI-A (grant 22241008). A. Fraser was supported by the UK Natural Environment Research Council National Centre for Earth Observation. We acknowledge the work of J. McGregor and M. Thatcher in the development of CCAM. CCAM simulations were undertaken as part of the Australian Climate Change Science Program and used the NCI National Facility in Canberra, ACT, Australia. R. Prinn andM. Rigby were supported by NASA-AGAGE grants NNX07AE89G and NNX11AF17G to MIT. M. Rigby was also supported by a NERC Advanced Fellowship. The TOMCAT work at the University of Leeds was supported by NERC/NCEO. The research leading to the IFS results has received funding from the European Community's Seventh Framework Programme [FP7 THEME (SPA.2011.1.5-02)] under grant 283576 in the context of the MACC-II project (Monitoring Atmospheric Composition and Climate-Interim Implementation). We sincerely thank all three anonymous reviewers for critical evaluation and providing very helpful comments and suggestions for improving the article. NR 36 TC 4 Z9 4 U1 0 U2 23 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 16 PY 2013 VL 118 IS 9 BP 3891 EP 3904 DI 10.1002/jgrd.50380 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 155JU UT WOS:000319744700032 ER PT J AU Ruehl, CR Nah, T Isaacman, G Worton, DR Chan, AWH Kolesar, KR Cappa, CD Goldstein, AH Wilson, KR AF Ruehl, Christopher R. Nah, Theodora Isaacman, Gabriel Worton, David R. Chan, Arthur W. H. Kolesar, Katheryn R. Cappa, Christopher D. Goldstein, Allen H. Wilson, Kevin R. TI The Influence of Molecular Structure and Aerosol Phase on the Heterogeneous Oxidation of Normal and Branched Alkanes by OH SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ALKOXY RADICAL ISOMERIZATION; SECONDARY ORGANIC AEROSOL; ATMOSPHERIC CONDITIONS; INITIATED REACTIONS; HYDROXYL RADICALS; ACTIVE CHLORINE; PARTICLES; PRODUCTS; CHEMISTRY; DYNAMICS AB Insights into the influence of molecular structure and thermodynamic phase on the chemical mechanisms of hydroxyl radical-initiated heterogeneous oxidation are obtained by identifying reaction products of submicrometer particles composed of either n-octacosane (C28H58, a linear alkane) or squalane (C30H62, a highly branched alkane) and OH. A common pattern is observed in the positional isomers of octacosanone and octacosanol, with functionalization enhanced toward the end of the molecule. This suggests that relatively large linear alkanes are structured in submicrometer particles such that their ends are oriented toward the surface. For squalane, positional isomers of first-generation ketones and alcohols also form in distinct patterns. Ketones are favored on carbons adjacent to tertiary carbons, while hydroxyl groups are primarily found on tertiary carbons but also tend to form toward the end of the molecule. Some first-generation products, viz., hydroxycarbonyls and diols, contain two oxygen atoms. These results suggest that alkoxy radicals are important intermediates and undergo both intramolecular and intermolecular (chain propagation) hydrogen abstraction reactions. Oxidation products with carbon number less than the parent alkane's are observed to a much greater extent for squalane than for n-octacosane oxidation and can be explained by the preferential cleavage of bonds involving tertiary carbons. C1 [Ruehl, Christopher R.; Nah, Theodora; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Ruehl, Christopher R.; Isaacman, Gabriel; Worton, David R.; Chan, Arthur W. H.; Goldstein, Allen H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Nah, Theodora] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Worton, David R.] Aerosol Dynam Inc, Berkeley, CA 94710 USA. [Kolesar, Katheryn R.; Cappa, Christopher D.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Goldstein, Allen H.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Goldstein, Allen H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Wilson, KR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM krwilson@lbl.gov RI Chan, Arthur/I-2233-2013; Worton, David/A-8374-2012; Goldstein, Allen/A-6857-2011; Isaacman-VanWertz, Gabriel/I-5590-2014 OI Chan, Arthur/0000-0001-7392-4237; Worton, David/0000-0002-6558-5586; Goldstein, Allen/0000-0003-4014-4896; Isaacman-VanWertz, Gabriel/0000-0002-3717-4798 FU Department of Energy Office of Science Early Career Research Program; Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [ATM-1151062] FX K.R.W. and C.R.R. are partially supported by the Department of Energy Office of Science Early Career Research Program. This work was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231. C.D.C and K.R.K. are supported by the National Science Foundation under Award ATM-1151062. NR 48 TC 26 Z9 26 U1 6 U2 99 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 16 PY 2013 VL 117 IS 19 BP 3990 EP 4000 DI 10.1021/jp401888q PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 152SN UT WOS:000319551500013 PM 23611149 ER PT J AU Wright, C Holmes, J Nibler, JW Hedberg, K White, JD Hedberg, L Weber, A Blake, TA AF Wright, Corey Holmes, Joshua Nibler, Joseph W. Hedberg, Kenneth White, James D. Hedberg, Lise Weber, Alfons Blake, Thomas A. TI High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene) SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID SYMMETRIC-TOP MOLECULES; SPECTRA; CYCLOPROPANE; SPECTROSCOPY; FREQUENCIES; PROGRAM; STATES AB Combined high-resolution spectroscopic, electron-diffraction, and quantum theoretical methods are particularly advantageous for small molecules of high symmetry and can yield accurate structures that reveal subtle effects of electron delocalization on molecular bonds. The smallest of the radialene compounds, trimethylenecydopropane, [3]-radialene, has been synthesized and examined by these methods. The first high-resolution infrared spectra have been obtained for this molecule of D-3h symmetry, leading to an accurate B-0 rotational constant value of 0.1378629(8) cm(-1), within 0.5% of the value obtained from electronic structure calculations (density functional theory (DFT), B3LYP/cc-pVTZ). This result is employed in an analysis of electron-diffraction data to obtain the r(z) bond lengths (in angstrom): C-H = 1.072(17), C-C = 1.437(4), and C=C = 1.330(4). The results indicate that the effects of rehybridization and pi-electron delocalization affects each result in a shortening of about 0.05 angstrom for the C-C bond in radialene compared to ethane. The analysis does not lead to an accurate value of the HCH angle; however, from comparisons of theoretical and experimental angles for similar compounds, the theoretical prediction of 117.5 degrees is believed to be reliable to within 2 degrees. C1 [Wright, Corey; Holmes, Joshua; Nibler, Joseph W.; Hedberg, Kenneth; White, James D.; Hedberg, Lise] Oregon State Univ, Dept Chem, Corvallis, OR 97332 USA. [Weber, Alfons] NIST, Sensor Sci Div, Gaithersburg, MD 20899 USA. [Blake, Thomas A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Nibler, JW (reprint author), Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA. EM Joseph.Nibler@oregonstate.edu FU Camille and Henry Dreyfus Foundation; National Science Foundation [CHE 0613298]; Department of Energy's Office of Biological and Environmental Research; United States Department of Energy by the Battelle Memorial Institute [DE-AC05-76RLO 1830] FX We gratefully acknowledge partial support for this work from a Senior Scientist Mentor Award by the Camille and Henry Dreyfus Foundation (J.W.N.), and the National Science Foundation under Grant CHE 0613298 (K.H.). The research described here was performed, in part, in EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by the Battelle Memorial Institute under Contract DE-AC05-76RLO 1830. Certain commercial equipment, instruments, and materials are identified in the paper to adequately specify the experimental procedure. Such identification does not imply recommendations or endorsements by the National Institute of Standards and Technology or the Pacific Northwest National Laboratory, nor does it imply that the materials or equipment identified are necessarily the best available for the purpose. NR 50 TC 3 Z9 3 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 16 PY 2013 VL 117 IS 19 BP 4035 EP 4043 DI 10.1021/jp401813t PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 152SN UT WOS:000319551500017 PM 23594255 ER PT J AU Ellis, RJ Anderson, TL Antonio, MR Braatz, A Nilsson, M AF Ellis, Ross J. Anderson, Timothy L. Antonio, Mark R. Braatz, Alex Nilsson, Mikael TI A SAXS Study of Aggregation in the Synergistic TBP-HDBP Solvent Extraction System SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SMALL-ANGLE SCATTERING; LIQUID-LIQUID-EXTRACTION; STICKY SPHERES MODEL; N-DODECANE SYSTEM; REVERSE MICELLES; DIALKYLPHOSPHORIC ACID; OIL MICROEMULSIONS; NEUTRON-SCATTERING; BUTYL PHOSPHATE; WATER AB The macroscopic phase behaviors of a solvent system containing two extractants, tri-n-butyl phosphate (TBP) and di-n-butyl phosphoric acid (HDBP) in n-dodecane, were investigated through use of liquid liquid extraction and small-angle Xray scattering (SAXS) experiments. Five organic solutions, each containing a total extractant concentration (TBP + HDBP) of 1 M in varying molar ratios (0, 0.25, 0.5, 0.75, and 1.0 [TBP]:[TBP + HDBP]), were contacted with 0.2 M HNO3 aqueous solutions without and with dysprosium(III) at a concentration of 10(-4) M. An enhancement of the extraction of Dy3+-due to effects of synergism arising from the binary combination of extractants-was observed. SAXS data were collected for all solution compositions from 0 to 1 mol-fraction end ratios of TBP after contact with the acidic aqueous solutions both in the absence and presence of Dy as well as for the organic phases before aqueous contact. In the precontacted solutions, no notable changes in the SAXS data were observed upon combining the extractants so that the scattering intensity (I) measured at zero angle (Q = 0 angstrom(-1))-parameter. I(0)-the experimental radius of gyration (R-g), and the maximum linear extent (MLE) of the extractant aggregates were arithmetic averages of the two end members, 1 M HDBP, on the one hand, and 1 M TBP, on the other. In contrast, after contact with the aqueous phases with and without Dy3+, a significant reorganization occurs with larger aggregates apparent in the extractant mixtures and smaller in the two end member solutions. In particular, the maximum values of the metrical parameters (I(0), R-g, and MLE) correlate with the apparent optimal synergistic extraction mole ratio of 0.25. The SAXS data were further analyzed using the recently developed generalized indirect Fourier transformation (GIFT) method to provide pair-distance distribution functions with real-space information on aggregate morphology. Before aqueous contact, the organic phases show a systematically varying response from globular-like reverse micelles in the case of 1 M TBP to rod-shaped architectures in the case of 1 M HDBP. After aqueous contact, the aggregate morphologies of the mixed extractant systems are not simple linear combinations of those for the two end members. Rather, they have larger and more elongated structures, showing sharp discontinuities in the metrics of the aggregate entities that are coincident with the synergistic extraction mixture for Dy3+. The results in this initial study suggest a supramolecular, micellization aspect to synergism that remains underexplored and warrants further investigation, especially as it concerns the contemporary relevance to decades-old process chemistry and practices for high throughput separations systems. C1 [Ellis, Ross J.; Antonio, Mark R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Anderson, Timothy L.; Braatz, Alex; Nilsson, Mikael] Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA. RP Ellis, RJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rellis@anl.gov; nilssonm@uci.edu RI ellis, ross/J-1981-2016 OI ellis, ross/0000-0001-7691-5205 FU U.S. Department of Energy through the Nuclear Energy University Program, NEUP [120569, DE-NE0000156]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences [DE-AC02-06CH11357] FX The authors wish to thank the U.S. Department of Energy through the Nuclear Energy University Program, NEUP Contract No. 120569 and DE-NE0000156 for financial support for the experiments and for the HPGe detector, respectively. The work at Argonne and the use of the Advanced Photon Source are supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences, under Contract No. DE-AC02-06CH11357. NR 68 TC 20 Z9 20 U1 8 U2 63 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 MAY 16 PY 2013 VL 117 IS 19 BP 5916 EP 5924 DI 10.1021/jp401025e PG 9 WC Chemistry, Physical SC Chemistry GA 154CT UT WOS:000319649800013 PM 23647100 ER PT J AU Iwashita, T Nicholson, DM Egami, T AF Iwashita, T. Nicholson, D. M. Egami, T. TI Elementary Excitations and Crossover Phenomenon in Liquids SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERCOOLED LIQUIDS; STRUCTURAL DEFECTS; GLASS-TRANSITION; AMORPHOUS SOLIDS; DYNAMICS AB The elementary excitations of vibration in solids are phonons. But in liquids phonons are extremely short lived and marginalized. In this Letter through classical and ab initio molecular dynamics simulations of the liquid state of various metallic systems we show that different excitations, the local configurational excitations in the atomic connectivity network, are the elementary excitations in high temperature metallic liquids. We also demonstrate that the competition between the configurational excitations and phonons determines the so-called crossover phenomenon in liquids. These discoveries open the way to the explanation of various complex phenomena in liquids, such as fragility and the rapid increase in viscosity toward the glass transition, in terms of these excitations. C1 [Iwashita, T.; Egami, T.] Univ Tennessee, Joint Inst Neutron Sci, Dept Phys & Astron, Knoxville, TN 37996 USA. [Nicholson, D. M.; Egami, T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Egami, T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Iwashita, T (reprint author), Univ Tennessee, Joint Inst Neutron Sci, Dept Phys & Astron, Knoxville, TN 37996 USA. RI Iwashita, Takuya/D-2724-2009 FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science and Engineering Division; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank S. Sastry, S. Yip, J. S. Langer, J. Bellissard, K. Kelton, and J. R. Morris for useful discussions. The work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science and Engineering Division. Ab initio calculations used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 29 TC 41 Z9 41 U1 3 U2 69 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 16 PY 2013 VL 110 IS 20 AR 205504 DI 10.1103/PhysRevLett.110.205504 PG 5 WC Physics, Multidisciplinary SC Physics GA 147VW UT WOS:000319198000009 PM 25167427 ER PT J AU Moosmann, J Ershov, A Altapova, V Baumbach, T Prasad, MS LaBonne, C Xiao, XH Kashef, J Hofmann, R AF Moosmann, Julian Ershov, Alexey Altapova, Venera Baumbach, Tilo Prasad, Maneeshi S. LaBonne, Carole Xiao, Xianghui Kashef, Jubin Hofmann, Ralf TI X-ray phase-contrast in vivo microtomography probes new aspects of Xenopus gastrulation SO NATURE LA English DT Article ID SYNCHROTRON-RADIATION; EMBRYONIC-DEVELOPMENT; IMAGE-ANALYSIS; OPTICAL-FLOW; BOTTLE CELLS; LAEVIS; MICROSCOPY; INTERNALIZATION; EXTENSION; MOVEMENT AB An ambitious goal in biology is to understand the behaviour of cells during development by imaging-in vivo and with subcellular resolution-changes of the embryonic structure. Important morphogenetic movements occur throughout embryogenesis, but in particular during gastrulation when a series of dramatic, coordinated cell movements drives the reorganization of a simple ball or sheet of cells into a complex multi-layered organism(1). In Xenopus laevis, the South African clawed frog and also in zebrafish, cell and tissue movements have been studied in explants(2,3), in fixed embryos(4), in vivo using fluorescence microscopy(5,6) or microscopic magnetic resonance imaging(7). None of these methods allows cell behaviours to be observed with micrometre-scale resolution throughout the optically opaque, living embryo over developmental time. Here we use non-invasive in vivo, time-lapse X-ray microtomography, based on single-distance phase contrast and combined with motion analysis, to examine the course of embryonic development. We demonstrate that this powerful four-dimensional imaging technique provides high-resolution views of gastrulation processes in wildtype X. laevis embryos, including vegetal endoderm rotation, archenteron formation, changes in the volumes of cavities within the porous interstitial tissue between archenteron and blastocoel, migration/confrontation of mesendoderm and closure of the blastopore. Differential flow analysis separates collective from relative cell motion to assign propulsion mechanisms. Moreover, digitally determined volume balances confirm that early archenteron inflation occurs through the uptake of external water. A transient ectodermal ridge, formed in association with the confrontation of ventral and head mesendoderm on the blastocoel roof, is identified. When combined with perturbation experiments to investigate molecular and biomechanical underpinnings of morphogenesis, our technique should help to advance our understanding of the fundamentals of development. C1 [Moosmann, Julian; Ershov, Alexey; Baumbach, Tilo; Hofmann, Ralf] Karlsruhe Inst Technol, Inst Photon Sci & Synchrotron Radiat, D-76344 Eggenstein Leopoldshafen, Germany. [Ershov, Alexey] Natl Res Tomsk Polytech Univ, Inst Phys & Technol, Dept Gen Phys, Tomsk 634050, Russia. [Altapova, Venera; Baumbach, Tilo] Karlsruhe Inst Technol, Lab Applicat Synchrotron Radiat, D-76128 Karlsruhe, Germany. [Prasad, Maneeshi S.; LaBonne, Carole] Northwestern Univ, Dept Mol Biosci, Evanston, IL 60208 USA. [Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Kashef, Jubin] Karlsruhe Inst Technol, Inst Zool 2, D-76131 Karlsruhe, Germany. RP Hofmann, R (reprint author), Karlsruhe Inst Technol, Inst Photon Sci & Synchrotron Radiat, Hermann von Helmholtz Pl 1, D-76344 Eggenstein Leopoldshafen, Germany. EM jubin.kashef@kit.edu; ralf.hofmann2@kit.edu RI Moosmann, Julian/D-7075-2013; OI Moosmann, Julian/0000-0002-6761-7182; Ershov, Alexey/0000-0002-5774-5068 FU US DOE [DE-AC02-06CH11357]; Karlsruhe Institute of Technology within the framework of the German Excellence Initiative; German Federal Ministry of Education and Research [05K12CK2, 05K12VH1] FX We would like to acknowledge discussions with J. Wittbrodt, H. Stein beisser, R. Winklbauer and D. Moss. R. Keller and D. Shook helped us with interpreting the data. D. Wedlich and M. Kohl commented on the manuscript. Discussions with M. Kohl on data analysis are gratefully acknowledged. We also would like to thank T. van de Kamp and D. Karpov for their help visualising the set-up, as well as F. de Carlo and K. Fezza for allocating beamtime at 2-BM-B station and at 32-ID, respectively, of Advanced Photon Source, Argonne National Laboratory. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. E. Becker, C. Huang, A. Merks and R. Langhe helped analysing blastopore radii. J.K.'s Young Investigator Group received financial support from the 'Concept for the Future' programme of Karlsruhe Institute of Technology within the framework of the German Excellence Initiative. This research partially was funded by the German Federal Ministry of Education and Research under grant numbers 05K12CK2 and 05K12VH1. NR 34 TC 32 Z9 32 U1 1 U2 68 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD MAY 16 PY 2013 VL 497 IS 7449 BP 374 EP + DI 10.1038/nature12116 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 144PN UT WOS:000318952000039 PM 23676755 ER PT J AU Maris, P Vary, JP Gandolfi, S Carlson, J Pieper, SC AF Maris, Pieter Vary, James P. Gandolfi, S. Carlson, J. Pieper, Steven C. TI Properties of trapped neutrons interacting with realistic nuclear Hamiltonians SO PHYSICAL REVIEW C LA English DT Article ID MONTE-CARLO CALCULATIONS; GROUND-STATE; SYSTEMS; 3-BODY; ENERGY; MATTER; DROPS AB We calculate properties of neutron drops in external potentials using both quantum Monte Carlo and no-core full configuration techniques. The properties of the external wells are varied to examine different density profiles. We compare neutron drop results given by a selection of nuclear Hamiltonians, including realistic two-body interactions as well as several three-body forces. We compute a range of properties for the neutron drops: ground-state energies, spin-orbit splittings, excitation energies, radial densities and rms radii. We compare the equations of state for neutron matter for several of these Hamiltonians. Our results can be used as benchmarks to test other many-body techniques and to constrain properties of energy-density functionals. C1 [Maris, Pieter; Vary, James P.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Gandolfi, S.; Carlson, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Pieper, Steven C.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Maris, P (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. OI Gandolfi, Stefano/0000-0002-0430-9035 FU US DOE SciDAC program through the NUCLEI collaboration; US DOE [DE-SC-0008485, DE-FG02-87ER40371]; US DOE Office of Nuclear Physics [DE-AC02-06CH11357, DE-AC52-06NA25396]; US NSF Grant [0904782]; LANL LDRD program; DOE; DOE Office of Science [DE-AC02-06CH11357, DE-AC02-05CH11231, DE-AC05-00OR22725]; INCITE award, Nuclear Structure and Nuclear Reactions, from the DOE Office of Advanced Scientific Computing FX We thank G. F. Bertsch, S. Bogner, A. Bulgac, F. Coester, J. Dobaczewski, W. Nazarewicz, S. Reddy, A. Shirokov, and R. B. Wiringa for valuable discussions. This work is supported by the US DOE SciDAC program through the NUCLEI collaboration, by the US DOE Grants No. DE-SC-0008485 (SciDAC/NUCLEI) and No. DE-FG02-87ER40371 and by the US DOE Office of Nuclear Physics under Contracts No. DE-AC02-06CH11357, and No. DE-AC52-06NA25396. This work is also supported by the US NSF Grant No. 0904782 and by the LANL LDRD program. We thank the Institute for Nuclear Theory at the University of Washington for its hospitality and the DOE for partial support during various stages of this work. Computer time was made available by Argonne's LCRC, the Argonne Mathematics and Computer Science Division, Los Alamos Institutional Computing, the National Energy Research Scientific Computing Center (NERSC), which is supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231, and by an INCITE award, Nuclear Structure and Nuclear Reactions, from the DOE Office of Advanced Scientific Computing. This research used resources of the Oak Ridge Leadership Computing Facility at ORNL, which is supported by the DOE Office of Science under Contract No. DE-AC05-00OR22725, and of the Argonne Leadership Computing Facility at ANL, which is supported by the DOE Office of Science under Contract No. DE-AC02-06CH11357. NR 49 TC 18 Z9 18 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 16 PY 2013 VL 87 IS 5 AR 054318 DI 10.1103/PhysRevC.87.054318 PG 16 WC Physics, Nuclear SC Physics GA 146WN UT WOS:000319125900001 ER PT J AU Jalarvo, N Casolo, S Aliouane, N Wallacher, D Lovvik, OM Norby, T AF Jalarvo, Niina Casolo, Simone Aliouane, Nadir Wallacher, Dirk Lovvik, Ole Martin Norby, Truls TI On the Complex Structural Picture of the Ionic Conductor Sr6Ta2O11 SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID PEROVSKITE-RELATED STRUCTURE; BRILLOUIN-ZONE INTEGRATIONS; POWDER DIFFRACTION; PROTON CONDUCTION; SINTERED OXIDES; OXYGEN; NEUTRON; WATER; LOCATION AB Sr6Ta2O11 presents an interesting model system of a highly defective and disordered complex perovskite, exhibiting oxide ion conductivity at high temperatures as well as proton conductivity when hydrated by presence of water vapor. In this paper, we present a comprehensive structural study of Sr6Ta2O11 in its dry and hydrated state, based on DFT calculations and NPD measurements. At low temperatures, dry Sr6Ta2O11 has a tetragonal symmetry with ordered oxygen vacancies. The oxygen vacancy induces perturbations to its near surroundings, disturbing particularly the A site cations. As a consequence, the elaborate structural picture collapses at higher temperatures. The high-temperature structure has a cubic symmetry with fractionally occupied structural oxygen sites and disorder on the oxygen and strontium sublattices. The structure of the fully hydrated compound Sr6Ta2O11(OH)(2) was determined as monoclinic with significant distortions of the anion and metal cation sites. C1 [Jalarvo, Niina; Norby, Truls] Univ Oslo, Dept Chem, SMN FERMiO, NO-0349 Oslo, Norway. [Jalarvo, Niina] Oak Ridge Natl Lab, Julich Ctr Neutron Sci JCNS 1, Forschungszentrum Julich GmbH, Outstn Spallat Neutron Source,Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Casolo, Simone] Univ Milan, Dipartimento Chim, I-20133 Milan, Italy. [Aliouane, Nadir] Inst Energy Technol, Dept Phys, NO-2027 Kjeller, Norway. [Aliouane, Nadir] Paul Scherrer Inst, Lab Neutron Scattering, CH-5232 Villigen, Switzerland. [Wallacher, Dirk] Helmholtz Zentrum Mat & Energie GmbH, D-14109 Berlin, Germany. [Lovvik, Ole Martin] SINTEF Mat & Chem, NO-0314 Oslo, Norway. [Lovvik, Ole Martin] Univ Oslo, Dept Phys, NO-0315 Oslo, Norway. RP Jalarvo, N (reprint author), Univ Oslo, Dept Chem, SMN FERMiO, Gaustadalleen 21, NO-0349 Oslo, Norway. EM n.jalarvo@fz-juelich.de; t.e.norby@kjemi.uio.no RI Casolo, Simone/G-6265-2010; Jalarvo, Niina/Q-1320-2015; OI Jalarvo, Niina/0000-0003-0644-6866; Lovvik, Ole Martin/0000-0002-4169-1544; Norby, Truls/0000-0003-0909-0439 FU Research Council of Norway [171157/V30]; European Commission [283883] FX The authors would like to thank Dr. Simon Kimber and Dr. Dimitri N. Argyriou for help with the NPD measurements at E9 and for the discussion about the data interpretation. This work was supported by the FRINAT project 171157/V30 "Hydrogen in oxides (HYDROX)" of the Research Council of Norway and by the European Commission under the seventh Framework Programme through the "Research Infrastructure" action of the "Capacities" Programme, NMI3-II Grant 283883. NR 33 TC 1 Z9 1 U1 0 U2 8 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 MAY 16 PY 2013 VL 117 IS 19 BP 9543 EP 9549 DI 10.1021/jp311308g PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 154CM UT WOS:000319649100003 ER PT J AU Inskeep, WP Jay, ZJ Herrgard, MJ Kozubal, MA Rusch, DB Tringe, SG Macur, RE Jennings, RD Boyd, ES Spear, JR Roberto, FF AF Inskeep, William P. Jay, Zackary J. Herrgard, Markus J. Kozubal, Mark A. Rusch, Douglas B. Tringe, Susannah G. Macur, Richard E. Jennings, Ryan de M. Boyd, Eric S. Spear, John R. Roberto, Francisco F. TI Phylogenetic and functional analysis of metagenome sequence from high-temperature archaeal habitats demonstrate linkages between metabolic potential and geochemistry SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE archaea; thermophilic archaea and bacteria; geochemistry; phylogeny; functional genomics ID YELLOWSTONE-NATIONAL-PARK; MICROBIAL COMMUNITY STRUCTURE; AUTOTROPHIC CARBON FIXATION; ACIDIC GEOTHERMAL SPRINGS; NITRIC-OXIDE REDUCTASE; HOT-SPRINGS; ELEMENTAL SULFUR; HYPERTHERMOPHILIC ARCHAEUM; PYROBACULUM-AEROPHILUM; METALLOSPHAERA-SEDULA AB Geothermal habitats in Yellowstone National Park (YNP) provide an unparalleled opportunity to understand the environmental factors that control the distribution of archaea in thermal habitats. Here we describe, analyze, and synthesize metagenomic and geochemical data collected from seven high-temperature sites that contain microbial communities dominated by archaea relative to bacteria. The specific objectives of the study were to use metagenome sequencing to determine the structure and functional capacity of thermophilic archaeal-dominated microbial communities across a pH range from 2.5 to 6.4 and to discuss specific examples where the metabolic potential correlated with measured environmental parameters and geochemical processes occurring in situ. Random shotgun metagenome sequence (similar to 40-45 Mb Sanger sequencing per site) was obtained from environmental DNA extracted from high-temperature sediments and/or microbial mats and subjected to numerous phylogenetic and functional analyses. Analysis of individual sequences (e.g., MEGAN and G + C content) and assemblies from each habitat type revealed the presence of dominant archaeal populations in all environments, 10 of whose genomes were largely reconstructed from the sequence data. Analysis of protein family occurrence, particularly of those involved in energy conservation, electron transport, and autotrophic metabolism, revealed significant differences in metabolic strategies across sites consistent with differences in major geochemical attributes (e.g., sulfide, oxygen, pH). These observations provide an ecological basis for understanding the distribution of indigenous archaeal lineages across high-temperature systems of YNP. C1 [Inskeep, William P.; Jay, Zackary J.; Kozubal, Mark A.; Macur, Richard E.; Jennings, Ryan de M.] Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. [Inskeep, William P.; Boyd, Eric S.] Montana State Univ, Thermal Biol Inst, Bozeman, MT 59717 USA. [Herrgard, Markus J.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Horsholm, Denmark. [Rusch, Douglas B.] Indiana Univ, Ctr Genom & Bioinformat, Bloomington, IN USA. [Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Boyd, Eric S.] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA. [Spear, John R.] Colorado Sch Mines, Dept Civil & Environm Engn, Golden, CO 80401 USA. [Roberto, Francisco F.] Newmont Mining Corp, Englewood, CO USA. RP Inskeep, WP (reprint author), Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. EM binskeep@montana.edu OI Tringe, Susannah/0000-0001-6479-8427; Spear, John/0000-0002-4664-7438 FU National Science Foundation Research Coordination Network Program [MCB 0342269]; DOE-Joint Genome Institute Community Sequencing Program [CSP 787081]; Office of Science of the U.S. Department of Energy [AC02-05CH11231] FX Authors appreciate support from the National Science Foundation Research Coordination Network Program (MCB 0342269), the DOE-Joint Genome Institute Community Sequencing Program (CSP 787081) as well as all individual author institutions and associated research support that together has made this study possible. The work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Authors also appreciate collaboration with Drs. P. Chan and T. Lowe, University of California, Santa Cruz, CA, USA for making metagenome assemblies of archaeal-dominated sites available on the archaeal browser (archaeal.browser.ucsc.edu). Authors appreciate research permits (Permit No. YELL-5568, 2007-2010) managed by C. Hendrix and S. Guenther (Center for Resources, YNP), which made this collaborative effort possible. NR 101 TC 23 Z9 24 U1 3 U2 36 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 15 PY 2013 VL 4 AR 95 DI 10.3389/fmicb.2013.00095 PG 21 WC Microbiology SC Microbiology GA AA5BZ UT WOS:000331111900001 PM 23720654 ER PT J AU Li, YL Hu, SY Montgomery, R Gao, F Sun, X AF Li, Yulan Hu, Shenyang Montgomery, Robert Gao, Fei Sun, Xin TI Phase-field simulations of intragranular fission gas bubble evolution in UO2 under post-irradiation thermal annealing SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Phase-field approach; Intragranular gas bubble evolution; Post-irradiation annealing; UO2 ID VOID MIGRATION; MODEL; RELEASE; GROWTH; BURNUP; FUEL AB Fission gas bubbles are one of the evolving microstructures that affect thermal mechanical properties, such as thermal conductivity, gas release, volume swelling, and cracking, in operating nuclear fuels. Therefore, fundamental understanding of gas bubble evolution kinetics is essential to predict the thermodynamic property and performance changes of fuels. In this work, a generic phase-field model was developed to describe the evolution kinetics of intragranular fission gas bubbles in UO2 fuels under postirradiation thermal annealing conditions. Free energy functional and model parameters are evaluated from atomistic simulations and experiments. Critical nucleus size of gas bubbles and gas bubble evolution were simulated. A linear relationship between logarithmic bubble number density and logarithmic mean bubble diameter was predicted, which is in good agreement with experimental data. Published by Elsevier B.V. C1 [Li, Yulan; Hu, Shenyang; Montgomery, Robert; Gao, Fei; Sun, Xin] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hu, SY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM shenyang.hu@pnnl.gov OI HU, Shenyang/0000-0002-7187-3082 FU US Department of Energy's (DOE), Nuclear Energy Advanced Modeling and Simulation (NEAMS) program at Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830] FX This research was supported by the US Department of Energy's (DOE), Nuclear Energy Advanced Modeling and Simulation (NEAMS) program at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE under Contract No. DE-AC05-76RL01830. The authors also would like to thank their collaborators for helpful discussions and suggestions, including Drs. Michael Tonks, Bulent Biner, and Paul Millett at Idaho National Laboratory; Dr. David Andersson at Los Alamos National Laboratory; Dr. Veena Tikare at Sandia National Laboratories; and Dr. Balasubramaniam Radhakrishnan at Oak Ridge National Laboratory. NR 17 TC 4 Z9 4 U1 3 U2 25 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 MAY 15 PY 2013 VL 303 BP 62 EP 67 DI 10.1016/j.nimb.2012.11.028 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 160WQ UT WOS:000320151600015 ER PT J AU Yang, L Deng, HQ Gao, F Heinisch, HL Kurtz, RJ Hu, SY Li, YL Zu, XT AF Yang, L. Deng, H. Q. Gao, F. Heinisch, H. L. Kurtz, R. J. Hu, S. Y. Li, Y. L. Zu, X. T. TI Atomistic studies of nucleation of He clusters and bubbles in bcc iron SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Molecular dynamics; He bubble; Self-interstitial loop; Bcc iron ID ALPHA-IRON; MOLECULAR-DYNAMICS; STAINLESS-STEEL; HELIUM BUBBLES AB Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800 K have been carried out using the newly developed Fe-Fe interatomic potential, along with Ackland potential for the Fe-Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form < 111 > clusters, and only the dislocation loops with a Burgers vector of b = 1/2 < 111 > appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372 appm, while the He-V cluster-loop complexes with more than one He-V cluster are formed at the He concentration of 2057 appm and larger. (C) 2013 Elsevier B.V. All rights reserved. C1 [Yang, L.; Gao, F.; Heinisch, H. L.; Kurtz, R. J.; Hu, S. Y.; Li, Y. L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Yang, L.; Zu, X. T.] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Deng, H. Q.] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China. RP Gao, F (reprint author), Pacific NW Natl Lab, MS K8-93,POB 999, Richland, WA 99352 USA. EM fei.gao@pnnl.gov RI Deng, Huiqiu/A-9530-2009; OI Deng, Huiqiu/0000-0001-8986-104X; HU, Shenyang/0000-0002-7187-3082 FU US Department of Energy/Office of Fusion Energy Science [DE-AC06-76RLO 1830]; National Natural Science Foundation of China - NSAF [10976007] FX F. Gao, S.Y. Hu, Y.L. Li, R.J. Kurtz and H.L. Heinisch are grateful for support by the US Department of Energy/Office of Fusion Energy Science under Contract DE-AC06-76RLO 1830. L.Yang and X.T. Zu are grateful for the support by the National Natural Science Foundation of China - NSAF (Grant no.: 10976007). NR 21 TC 14 Z9 14 U1 1 U2 37 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 15 PY 2013 VL 303 BP 68 EP 71 DI 10.1016/j.nimb.2012.11.025 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 160WQ UT WOS:000320151600016 ER PT J AU Di, SL Yao, ZW Daymond, MR Gao, F AF Di, Sali Yao, Zhongwen Daymond, Mark R. Gao, Fei TI Molecular dynamics simulations of irradiation cascades in alpha-zirconium under macroscopic strain SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Displacement cascade; Strain field; Zirconium; Molecular dynamics ID HEAVY-ION IRRADIATION; DISPLACEMENT CASCADES; HCP-ZR; DEFECT; METALS; SYSTEMS; ENERGY AB Numerous computer simulation studies have been performed on the radiation damage of zirconium. In contrast to most of the work in the literature which has focused on the effects of temperature and recoil energy on defect production and defect clustering, we have developed a computational model to consider the influence of elastic strain field on the formation of defects and their clusters, as strain is commonly present in a real reactor environment. In this work, irradiation induced displacement cascades in alpha-zirconium experiencing a macroscopic strain have been studied by molecular dynamics (MD) simulations using a many-body interatomic potential. The external strain mainly affects the size of defect clusters rather than the total number of defects. The sizes of interstitial and vacancy clusters respond differently to the external strain conditions. (C) 2013 Elsevier B.V. All rights reserved. C1 [Di, Sali; Yao, Zhongwen; Daymond, Mark R.] Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada. [Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yao, ZW (reprint author), Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada. EM yaoz@me.queensu.ca OI Daymond, Mark/0000-0001-6242-7489 FU Pacific Northwest National Lab; Nuclear Material Chair Program; NSCERC (Natural Sciences and Engineering Research Council of Canada); CFI (Canada Foundation for Innovation); US Department of Energy/Office of Fusion Energy Science [DE-AC06-76RLO 1830] FX S. Di, Z. Yao and M.R. Daymond want to thank HPCVL Queen's site for computer support. S. Di acknowledges the Alternate Sponsored Fellowship from Pacific Northwest National Lab. This work is funded by the Nuclear Material Chair Program, NSCERC (Natural Sciences and Engineering Research Council of Canada) Discovery Fund and CFI (Canada Foundation for Innovation). F. Gao is grateful for support by the US Department of Energy/Office of Fusion Energy Science under Contract DE-AC06-76RLO 1830. NR 26 TC 12 Z9 14 U1 1 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 15 PY 2013 VL 303 BP 95 EP 99 DI 10.1016/j.nimb.2013.01.048 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 160WQ UT WOS:000320151600023 ER PT J AU Backman, M Djurabekova, F Pakarinen, OH Nordlund, K Zhang, Y Toulemonde, M Weber, WJ AF Backman, M. Djurabekova, F. Pakarinen, O. H. Nordlund, K. Zhang, Y. Toulemonde, M. Weber, W. J. TI Atomistic simulations of MeV ion irradiation of silica SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Radiation damage; Molecular dynamics simulations; Inelastic thermal spike ID MOLECULAR-DYNAMICS SIMULATION; CASCADES; TRACKS; DAMAGE; RANGE AB We used molecular dynamics simulations to study 2.3 MeV Au ion irradiation of silica. In this energy regime, the energy loss of the ion is divided almost equally between electronic and nuclear energy loss. The inelastic thermal spike model was used to model the electron-phonon interactions due to the high electronic energy loss. Binary collision approximation calculations provided input for the recoil energies due to MeV ions. We performed simulations of the damage due to the separate damage mechanisms as well as together, and found that the inelastic thermal spike is needed to accurately simulate the irradiation damage from MeV ions. (C) 2012 Elsevier B.V. All rights reserved. C1 [Backman, M.; Djurabekova, F.; Pakarinen, O. H.; Nordlund, K.] Univ Helsinki, Helsinki Inst Phys, FI-00014 Helsinki, Finland. [Backman, M.; Djurabekova, F.; Pakarinen, O. H.; Nordlund, K.] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Backman, M.; Zhang, Y.; Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhang, Y.; Weber, W. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Toulemonde, M.] Univ Caen, CIMAP CEA CNRS ENSICAEN, F-14070 Caen 5, France. RP Backman, M (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM marie.backman@gmail.com RI Weber, William/A-4177-2008; Nordlund, Kai/L-8275-2014; Pakarinen, Olli/G-8028-2016; OI Weber, William/0000-0002-9017-7365; Nordlund, Kai/0000-0001-6244-1942; Pakarinen, Olli/0000-0002-5535-3941; Djurabekova, Flyura/0000-0002-5828-200X FU U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division FX W.J. Weber and Y. Zhang were supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. The theoretical calculations were performed using the supercomputer resources at the National Energy Research Scientific Computing Center located at Lawrence Berkeley National Laboratory, USA. NR 33 TC 7 Z9 7 U1 3 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 15 PY 2013 VL 303 BP 129 EP 132 DI 10.1016/j.nimb.2012.10.020 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 160WQ UT WOS:000320151600031 ER PT J AU Wang, GJ Volkow, ND Wigal, T Kollins, SH Newcorn, JH Telang, F Logan, J Jayne, M Wong, CT Han, H Fowler, JS Zhu, W Swanson, JM AF Wang, Gene-Jack Volkow, Nora D. Wigal, Timothy Kollins, Scott H. Newcorn, Jeffrey H. Telang, Frank Logan, Jean Jayne, Millard Wong, Christopher T. Han, Hao Fowler, Joanna S. Zhu, Wei Swanson, James M. TI Long-Term Stimulant Treatment Affects Brain Dopamine Transporter Level in Patients with Attention Deficit Hyperactive Disorder SO PLOS ONE LA English DT Article ID DEFICIT/HYPERACTIVITY DISORDER; METHYLPHENIDATE TREATMENT; BEHAVIORAL SENSITIZATION; ORAL METHYLPHENIDATE; COCAINE; RATS; ADULTS; ADHD; STRIATUM; EXPOSURE AB Objective: Brain dopamine dysfunction in attention deficit/hyperactivity disorder (ADHD) could explain why stimulant medications, which increase dopamine signaling, are therapeutically beneficial. However while the acute increases in dopamine induced by stimulant medications have been associated with symptom improvement in ADHD the chronic effects have not been investigated. Method: We used positron emission tomography and [C-11] cocaine (dopamine transporter radioligand) to measure dopamine transporter availability in the brains of 18 never-medicated adult ADHD subjects prior to and after 12 months of treatment with methylphenidate and in 11 controls who were also scanned twice at 12 months interval but without stimulant medication. Dopamine transporter availability was quantified as non-displaceable binding potential using a kinetic model for reversible ligands. Results: Twelve months of methylphenidate treatment increased striatal dopamine transporter availability in ADHD (caudate, putamen and ventral striatum: +24%, p<0.01); whereas there were no changes in control subjects retested at 12-month interval. Comparisons between controls and ADHD participants revealed no significant difference in dopamine transporter availability prior to treatment but showed higher dopamine transporter availability in ADHD participants than control after long-term treatment (caudate: p<0.007; putamen: p<0.005). Conclusion: Upregulation of dopamine transporter availability during long- term treatment with methylphenidate may decrease treatment efficacy and exacerbate symptoms while not under the effects of the medication. Our findings also suggest that the discrepancies in the literature regarding dopamine transporter availability in ADHD participants (some studies reporting increases, other no changes and other decreases) may reflect, in part, differences in treatment histories. C1 [Wang, Gene-Jack] SUNY Stony Brook, Dept Radiol, Stony Brook, NY 11794 USA. [Wang, Gene-Jack; Logan, Jean; Fowler, Joanna S.] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Wang, Gene-Jack; Newcorn, Jeffrey H.; Fowler, Joanna S.] Mt Sinai Sch Med, Dept Psychol, New York, NY USA. [Volkow, Nora D.] Natl Inst Drug Abuse, Bethesda, MD USA. [Volkow, Nora D.; Telang, Frank; Jayne, Millard; Wong, Christopher T.] NIAAA, Intramural Res Program, Neuroimaging Lab, Upton, NY USA. [Wigal, Timothy; Swanson, James M.] Univ Calif Irvine, Dept Pediat, Irvine, CA 92717 USA. [Kollins, Scott H.] Duke Univ, Dept Psychiat, Durham, NC 27706 USA. [Han, Hao; Zhu, Wei] SUNY Stony Brook, Dept Math & Appl Sci, Stony Brook, NY 11794 USA. RP Wang, GJ (reprint author), SUNY Stony Brook, Dept Radiol, Stony Brook, NY 11794 USA. EM gjwang@bnl.gov RI Han, Hao/D-5618-2015; OI Han, Hao/0000-0002-9387-7279; Newcorn, Jeffrey /0000-0001-8993-9337; Logan, Jean/0000-0002-6993-9994 FU National Institutes of Health [R01MH66961]; Orexigen Therapeutics Inc. FX The work was supported by the National Institutes of Health: R01MH66961 to Dr. GJW. The PET study was carried out at Brookhaven National Laboratory with infrastructure support from the U.S. Department of Energy Office of Biological and Environmental Research (DE-ACO2-76CH00016), M01RR10710 (the General Clinical Research Center of Stony Brook University). An Intramural Research Program of the National Institute on Alcohol Abuse and Alcoholism (Z01AA000550) supported Drs. NDV and FT and Mr. MJ. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.; Dr. GJW received research funding from the Orexigen Therapeutics Inc.; Dr. NDV reports no competing interests; Dr. TW reports no competing interests; Dr. SHK reports no competing interests; Dr. JHN reports no competing interests; Dr. FT reports no competing interests; Dr. JL reports no competing interests; Mr. MJ reports no competing interests; Mr. CTW reports no competing interests; Mr. HH reports no competing interests; Dr. JSF reports no competing interests; Dr. WZ reports no competing interests; Dr. JMS reports no competing interests. This does not alter the authors' adherence to all the PLOS ONE policies on sharing data and materials. NR 29 TC 18 Z9 18 U1 2 U2 31 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 15 PY 2013 VL 8 IS 5 AR e63023 DI 10.1371/journal.pone.0063023 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 145XK UT WOS:000319052700016 PM 23696790 ER PT J AU Craven-Jones, J Way, BM Kudenov, MW Mercier, JA AF Craven-Jones, Julia Way, Brandyn M. Kudenov, Michael W. Mercier, Jeffrey A. TI Athermalized channeled spectropolarimetry using a biaxial potassium titanyl phosphate crystal SO OPTICS LETTERS LA English DT Article ID SNAPSHOT IMAGING SPECTROPOLARIMETER; POLARIMETRY AB Channeled spectropolarimeters measure the polarization state of light as a function of wavelength. Typically, a channeled spectropolarimeter uses high-order retarders made of uniaxial crystal to amplitude modulate the measured spectrum with the Stokes polarization information. A primary limitation of these instruments is the thermal variability of the retarders, which necessitates frequent system recalibration. Past work has addressed this issue by implementing an athermalized retarder produced from two uniaxial crystals. However, reducing the complexity of an athermalized retarder is advantageous for minimizing size and weight requirements. In this Letter, a technique for producing a thermally stable channeled spectropolarimeter using biaxial retarders is presented. This technique preserves a constant phase over an appreciable temperature range. Proof-of-concept results from a KTP-based athermal partial channeled spectropolarimeter are presented from 500 to 750 nm for temperature changes up to 26 degrees C. Spectropolarimetric reconstructions produced from this system vary by < = 2.6% RMS when the retarder experiences a 13 degrees C increase in temperature above 21 degrees C ambient, < = 5.2% for a 20 degrees C increase, and < = 6.7% for a 26 degrees C increase. (C) 2013 Optical Society of America C1 [Craven-Jones, Julia; Way, Brandyn M.; Mercier, Jeffrey A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kudenov, Michael W.] N Carolina State Univ, Dept Elect & Comp Engn, Raleigh, NC 27695 USA. RP Craven-Jones, J (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87185 USA. EM jcjone@sandia.gov FU Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by Sandia National Laboratories. 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. SAND# 2013-0009 J. NR 9 TC 3 Z9 3 U1 0 U2 3 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD MAY 15 PY 2013 VL 38 IS 10 BP 1657 EP 1659 DI 10.1364/OL.38.001657 PG 3 WC Optics SC Optics GA 146SF UT WOS:000319110500023 PM 23938901 ER PT J AU Gessert, TA Burst, JM Wei, SH Ma, J Kuciauskas, D Rance, WL Barnes, TM Duenow, JN Reese, MO Li, JV Young, MR Dippo, P AF Gessert, T. A. Burst, J. M. Wei, S. -H. Ma, J. Kuciauskas, D. Rance, W. L. Barnes, T. M. Duenow, J. N. Reese, M. O. Li, J. V. Young, M. R. Dippo, P. TI Pathways toward higher performance CdS/CdTe devices: Te exposure of CdTe surface before ZnTe:Cu/Ti contacting SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT Symposium B on Thin Film Chalcogenide Photovoltaic Materials of the 11th E-MRS Spring Meetings CY MAY, 2012 CL Strasbourg, FRANCE SP E MRS, Avancis, Solar Frontier DE CdTe; ZnTe; Contacts; Stoichiometry AB Many studies of thin-film CdS/CdTe photovoltaic devices have suggested that performance may be improved by reducing recombination due to Te-vacancy (V-Te), Te antisite (Te-Cd), or Te-interstitial (Te-i) defects. Although formation of these intrinsic defects is likely influenced by CdTe deposition parameters, it may be also coupled to the formation of beneficial cadmium vacancy (V-Cd) defects. In this study, we expose the CdTe surface to Te vapor prior to ZnTe:Cu/Ti contact-interface formation with the goal of reducing V-Te without significantly reducing VCd. Initial results show that when this modified contact is used on a CdCl2-treated CdS/CdTe device, poorer device performance results. This suggests two things: First, the amount of free-Te available during contact formation (either from chemical etching or CuxTe or ZnTe deposition) may be a more important parameter to device performance than previously appreciated. Second, if processes have been used to reduce the effect of V-Te (e.g., oxygen and chlorine additions), adding even a small amount of Te may produce detrimental defects. (C) 2013 Elsevier B.V. All rights reserved. C1 [Gessert, T. A.; Burst, J. M.; Wei, S. -H.; Ma, J.; Kuciauskas, D.; Rance, W. L.; Barnes, T. M.; Duenow, J. N.; Reese, M. O.; Li, J. V.; Young, M. R.; Dippo, P.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gessert, TA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM tim.gessert@nrel.gov RI Li, Jian/B-1627-2016 NR 8 TC 9 Z9 9 U1 0 U2 22 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD MAY 15 PY 2013 VL 535 BP 237 EP 240 DI 10.1016/j.tsf.2012.11.087 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 144WW UT WOS:000318973600052 ER PT J AU Lian, YJ Bergman, RG Lavis, LD Ellman, JA AF Lian, Yajing Bergman, Robert G. Lavis, Luke D. Ellman, Jonathan A. TI Rhodium(III)-Catalyzed Indazole Synthesis by C-H Bond Functionalization and Cyclative Capture SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CONVERGENT SYNTHESIS; MILD CONDITIONS; ACTIVATION; ALDEHYDES; ARYL; 2H-INDAZOLES; CYCLIZATION; BENZAMIDES; ISOCYANATES; AZOBENZENE AB An efficient, one-step, and highly functional group-compatible synthesis of substituted N-aryl-2H-indazoles is reported via the rhodium(III)-catalyzed C-H bond addition of azobenzenes to aldehydes. The regioselective coupling of unsymmetrical azobenzenes was further demonstrated and led to the development of a new removable aryl group that allows for the preparation of indazoles without N-substitution. The 2-aryl-2H-indazole products also represent a new class of readily prepared fluorophores for which initial spectroscopic characterization has been performed. C1 [Lian, Yajing; Ellman, Jonathan A.] Yale Univ, Dept Chem, New Haven, CT 06520 USA. [Bergman, Robert G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Lavis, Luke D.] Howard Hughes Med Inst, Ashburn, VA 20147 USA. RP Lavis, LD (reprint author), Howard Hughes Med Inst, Janelia Farm Res Campus, Ashburn, VA 20147 USA. EM lavisl@janelia.hhmi.org; jonathan.ellman@yale.edu RI Ellman, Jonathan/C-7732-2013; OI Lavis, Luke/0000-0002-0789-6343 FU NIH Grant [GM069559]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, U.S. Department of Energy [DE-AC02-05CH11231]; Howard Hughes Medical Institute FX This work was supported by NIH Grant GM069559 (to J.A.E.). R.G.B. acknowledges funding from The Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, U.S. Department of Energy, under Contract DE-AC02-05CH11231. L.D.L. is supported by the Howard Hughes Medical Institute. NR 53 TC 130 Z9 130 U1 3 U2 88 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 15 PY 2013 VL 135 IS 19 BP 7122 EP 7125 DI 10.1021/ja402761p PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 148NB UT WOS:000319250200011 PM 23642256 ER PT J AU Zhu, HY Zhang, S Guo, SJ Su, D Sun, SH AF Zhu, Huiyuan Zhang, Sen Guo, Shaojun Su, Dong Sun, Shouheng TI Synthetic Control of FePtM Nanorods (M = Cu, Ni) To Enhance the Oxygen Reduction Reaction SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ELECTROCATALYTIC PERFORMANCE; NANOPARTICLES; NANOWIRES; CATALYSTS; OXIDATION; EFFICIENT; ULTRATHIN; SURFACES AB To further enhance the catalytic activity and durability of nanocatalysts for the oxygen reduction reaction (ORR), we synthesized a new class of 20 nm X 2 nm ternary alloy FePtM (M = Cu, Ni) nanorods (NRs) with controlled compositions. Supported on carbon support and treated with acetic acid as well as electrochemical etching, these FePtM NRs were converted into core/shell FePtM/Pt NRs. These core/shell NRs, especially FePtCu/Pt NRs, exhibited much improved ORR activity and durability. The Fe10Pt75Cu15 NRs showed a mass current densities of 1.034 A/mg(Pt) at 512 mV vs Ag/AgCl and 0.222 A/mg(Pt) at 557 mV vs Ag/AgCl, which are much higher than those for a commercial Pt catalyst (0.138 and 0.035 A/mg(Pv) respectively). Our controlled synthesis provides a general approach to core/shell NRs with enhanced catalysis for the ORR or other chemical reactions. C1 [Zhu, Huiyuan; Zhang, Sen; Guo, Shaojun; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sun, SH (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM ssun@brown.edu RI Guo, Shaojun/A-8449-2011; Zhang, Sen/E-4226-2015; Su, Dong/A-8233-2013 OI Guo, Shaojun/0000-0002-5941-414X; Su, Dong/0000-0002-1921-6683 FU U.S. Army Research Laboratory; U.S. Army Research Office under the Multi University Research Initiative (MURI) [W911NF-11-1-0353]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by the U.S. Army Research Laboratory and the U.S. Army Research Office under the Multi University Research Initiative (MURI) (Grant W911NF-11-1-0353 on "Stress-Controlled Catalysis via Engineered Nanostructures"). Electron microscopy work carried out at the Center for Functional Nanomaterials at Brookhaven National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract DE-AC02-98CH10886. NR 27 TC 122 Z9 123 U1 34 U2 351 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 15 PY 2013 VL 135 IS 19 BP 7130 EP 7133 DI 10.1021/ja403041g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 148NB UT WOS:000319250200013 PM 23634823 ER PT J AU Wang, P Bashiri, G Gao, X Sawaya, MR Tang, Y AF Wang, Peng Bashiri, Ghader Gao, Xue Sawaya, Michael R. Tang, Yi TI Uncovering the Enzymes that Catalyze the Final Steps in Oxytetracycline Biosynthesis SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID STREPTOMYCES-RIMOSUS; HETEROLOGOUS EXPRESSION; F-420-DEPENDENT GLUCOSE-6-PHOSPHATE-DEHYDROGENASE; CRYSTAL-STRUCTURES; STRUCTURAL BASIS; COENZYME; TETRACYCLINES; AUREOFACIENS; POLYKETIDE; IDENTIFICATION AB Tetracyclines are a group of natural products sharing a linearly fused four-ring scaffold, which is essential for their broad-spectrum antibiotic activities. Formation of the key precursor anhydrotetracycline 3 during oxytetracycline 1 biosynthesis has been previously characterized. However, the enzymatic steps that transform 3 into 1, including the additional hydroxylation at C5 and the final C5a-C11a reduction, have remained elusive. Here we report two redox enzymes, OxyS and OxyR, are sufficient to convert 3 to 1. OxyS catalyzes two sequential hydroxylations at C6 and C5 positions of 3 with opposite stereochemistry, while OxyR catalyzes the C5a-C11a reduction using F-420 as a cofactor to produce 1. The crystal structure of OxyS was obtained to provide insights into the tandem C6- and C5-hydroxylation steps. The substrate specificities of OxyS and OxyR were shown to influence the relative ratio of 1 and tetracycline 2. C1 [Wang, Peng; Gao, Xue; Tang, Yi] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA. [Sawaya, Michael R.; Tang, Yi] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Sawaya, Michael R.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. [Bashiri, Ghader] Univ Auckland, Maurice Wilkins Ctr Mol Biodiscovery, Struct Biol Lab, Auckland 1, New Zealand. [Bashiri, Ghader] Univ Auckland, Sch Biol Sci, Auckland 1, New Zealand. RP Tang, Y (reprint author), Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA. EM yitang@ucla.edu RI gao, xue /J-7037-2016; OI Bashiri, Ghader/0000-0002-5092-3749; Sawaya, Michael/0000-0003-0874-9043 FU NSF CBET [1159759]; Foundation for Research, Science and Technology of New Zealand; Health Research Council of New Zealand FX We acknowledge financial support to Y.T. from a NSF CBET 1159759. G.B. was supported by the Foundation for Research, Science and Technology of New Zealand and the Health Research Council of New Zealand. We thank Profs. Neil Garg and Edward N. Baker for helpful discussions. NR 34 TC 16 Z9 16 U1 4 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 15 PY 2013 VL 135 IS 19 BP 7138 EP 7141 DI 10.1021/ja403516u PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 148NB UT WOS:000319250200015 PM 23621493 ER PT J AU Guo, CJ Yeh, HH Chiang, YM Sanchez, JF Chang, SL Bruno, KS Wang, CCC AF Guo, Chun-Jun Yeh, Hsu-Hua Chiang, Yi-Ming Sanchez, James F. Chang, Shu-Ling Bruno, Kenneth S. Wang, Clay C. C. TI Biosynthetic Pathway for the Epipolythiodioxopiperazine Acetylaranotin in Aspergillus terreus Revealed by Genome-Based Deletion Analysis SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NONRIBOSOMAL PEPTIDE SYNTHETASE; GLIOTOXIN BIOSYNTHESIS; GENE-CLUSTER; BCC 4651; FUMIGATUS; METABOLITES; ARANOTIN; EXPRESSION; APOPTOSIS AB Epipolythiodioxopiperazines (ETPs) are a class of fungal secondary metabolites derived from diketopiperazines. Acetylaranotin belongs to one structural subgroup of ETPs characterized by the presence of a seven-membered 4,5-dihydrooxepine ring. Defining the genes involved in acetylaranotin biosynthesis should provide a means to increase the production of these compounds and facilitate the engineering of second-generation molecules. The filamentous fungus Aspergillus terreus produces acetylaranotin and related natural products. Using targeted gene deletions, we have identified a cluster of nine genes (including one nonribosomal peptide synthetase gene, ataP) that is required for acetylaranotin biosynthesis. Chemical analysis of the wild-type and mutant strains enabled us to isolate 17 natural products from the acetylaranotin biosynthesis pathway. Nine of the compounds identified in this study are natural products that have not been reported previously. Our data have allowed us to propose a biosynthetic pathway for acetylaranotin and related natural products. C1 [Guo, Chun-Jun; Yeh, Hsu-Hua; Chiang, Yi-Ming; Sanchez, James F.; Chang, Shu-Ling; Wang, Clay C. C.] Univ So Calif, Sch Pharm, Dept Pharmacol & Pharmaceut Sci, Los Angeles, CA 90089 USA. [Bruno, Kenneth S.] Pacific NW Natl Lab, Energy & Environm Directorate, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. [Chiang, Yi-Ming] Chia Nan Univ Pharm & Sci, Grad Inst Pharmaceut Sci, Tainan 71710, Taiwan. [Chang, Shu-Ling] Chia Nan Univ Pharm & Sci, Dept Biotechnol, Tainan 71710, Taiwan. [Wang, Clay C. C.] Univ So Calif, Dept Chem, Coll Letters Arts & Sci, Los Angeles, CA 90089 USA. RP Wang, CCC (reprint author), Univ So Calif, Sch Pharm, Dept Pharmacol & Pharmaceut Sci, 1985 Zonal Ave, Los Angeles, CA 90089 USA. EM clayw@usc.edu OI Chiang, Yi-Ming/0000-0001-9899-1364 FU National Institute of General Medical Sciences [PO1GM084077]; Department of Energy, Office of the Biomass Program; Snyder Foundation FX The project described was supported in part by PO1GM084077 from the National Institute of General Medical Sciences to C.C.C.W. Research conducted at the Pacific Northwest National Laboratory was supported by the Department of Energy, Office of the Biomass Program. The research group of C.C.C.W. was additionally supported by the Snyder Foundation. NR 42 TC 28 Z9 29 U1 0 U2 49 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 15 PY 2013 VL 135 IS 19 BP 7205 EP 7213 DI 10.1021/ja3123653 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 148NB UT WOS:000319250200023 PM 23586797 ER PT J AU Manna, K Everett, WC Schoendorff, G Ellern, A Windus, TL Sadow, AD AF Manna, Kuntal Everett, William C. Schoendorff, George Ellern, Arkady Windus, Theresa L. Sadow, Aaron D. TI Highly Enantioselective Zirconium-Catalyzed Cyclization of Aminoalkenes SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ASYMMETRIC INTRAMOLECULAR HYDROAMINATION; SUBSTITUTED (R)-1,1'-BINAPHTHYL-2,2'-DIAMIDO LIGANDS; UNPROTECTED AMINO OLEFINS; SIGMA-INSERTIVE MECHANISM; H BOND FORMATION; INTERMOLECULAR HYDROAMINATION; ALKENE HYDROAMINATION; ATE COMPLEXES; UNACTIVATED ALKENES; KINETIC RESOLUTION AB Aminoalkenes are catalytically cyclized in the presence of cyclopentadienylbis(oxazolinyl)borato group 4 complexes {PhB(C5H4)(Ox(R))(2)}M(NMe2)(2) (M = Ti, Zr, Hf; Ox(R) = 4,4-dimethyl-2-oxazoline, 4S-isopropyl-5,5-dimethyl-2-oxazoline, 4S-tert-butyl-2-oxazoline) at room temperature and below, affording five-, six-, and seven-membered N-heterocyclic amines with enantiomeric excesses of >90% in many cases and up to 99%. Mechanistic investigations of this highly selective system employed synthetic tests, kinetics, and stereochemistry. Secondary aminopentene cyclizations require a primary amine (1-2 equiv vs catalyst). Aminoalkenes are unchanged in the presence of a zirconium monoamido complex {PhB(C5H4)(Ox(4S-iPr,Me2))(2)}Zr(NMe2)Cl or a cyclopentadienylmono(oxazolinyl)borato zirconium diamide {Ph2B(C5H4)-(Ox(4S-iPr,Me1))}Zr(NMe2)(2). Plots of initial rate versus [substrate] show a rate dependence that evolves from first-order at low concentration to zero-order at high concentration, and this is consistent with a reversible substrate-catalyst interaction preceding an irreversible step. Primary kinetic isotope effects from substrate conversion measurements (k'((H))(obs)/k'((D))(obs) = 3.3 +/- 0.3) and from initial rate analysis (k(2)((H))/k(2)((D)) = 2.3 +/- 0.4) indicate that a N-H bond is broken in the turnover-limiting and irreversible step of the catalytic cycle. Asymmetric hydroamination/cyclization of N-deutero-aminoalkenes provides products with higher optical purities than obtained with N-proteo-aminoalkenes. Transition state theory, applied to the rate constant k(2) that characterizes the irreversible step, provides activation parameters consistent with a highly organized transition state (Delta S-double dagger = -43(7) cal.mol(-1) K-1) and a remarkably low enthalpic barrier (Delta H-double dagger = 6.7(2) kcal.mol(-1)). A six-centered, concerted transition state for C-N and C-H bond formation and N-H bond cleavage involving two amidoalkene ligands is proposed as most consistent with the current data. C1 [Sadow, Aaron D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Sadow, AD (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM sadow@iastate.edu OI Schoendorff, George/0000-0001-8624-5217 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory [DE-AC02-07CH11358]; NSF [CRIF-0946687, MRI-1040098]; National Science Foundation FX Prof. M. Jeffries-EL is thanked for providing access to her HPLC, and Prof. A. Bakac is gratefully thanked for valuable suggestions regarding kinetics experiments. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory (Contract No. DE-AC02-07CH11358). NMR measurements were performed on instruments supported by NSF (CRIF-0946687 and MRI-1040098). This research was also supported by an allocation of advanced computing resources provided by the National Science Foundation (A.D.S. and T.L.W.). The computations were performed on Kraken at the National Institute for Computational Sciences. NR 116 TC 41 Z9 41 U1 2 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 15 PY 2013 VL 135 IS 19 BP 7235 EP 7250 DI 10.1021/ja4000189 PG 16 WC Chemistry, Multidisciplinary SC Chemistry GA 148NB UT WOS:000319250200026 PM 23631736 ER PT J AU Cockayne, E Levin, I Wu, H Llobet, A AF Cockayne, Eric Levin, Igor Wu, Hui Llobet, Anna TI Magnetic structure of bixbyite alpha-Mn2O3: A combined DFT+U and neutron diffraction study SO PHYSICAL REVIEW B LA English DT Article ID CRYSTALLOGRAPHIC TRANSITIONS AB First-principles density functional theory DFT+U calculations and experimental neutron diffraction structure analyses were used to determine the low-temperature crystallographic and magnetic structure of bixbyite alpha-Mn2O3. The energies of various magnetic arrangements, calculated from first principles, were fit to a cluster-expansion model using a Bayesian method that overcomes a problem of underfitting caused by the limited number of input magnetic configurations. The model was used to predict the lowest-energy magnetic states. Experimental determination of magnetic structure benefited from an optimized sample synthesis, which produced crystallite sizes large enough to yield a clear splitting of peaks in the neutron powder diffraction patterns, thereby enabling magnetic-structure refinements under the correct orthorhombic symmetry. The refinements employed group theory to constrain magnetic models. Computational and experimental analyses independently converged to similar ground states, with identical antiferromagnetic ordering along a principal magnetic axis and secondary ordering along a single orthogonal axis, differing only by a phase factor in the modulation patterns. The lowest-energy magnetic states are compromise solutions to frustrated antiferromagnetic interactions between certain corner-sharing [MnO6] octahedra. C1 [Cockayne, Eric; Levin, Igor; Wu, Hui] NIST, Gaithersburg, MD 20899 USA. [Wu, Hui] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Llobet, Anna] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Cockayne, E (reprint author), NIST, Gaithersburg, MD 20899 USA. EM eric.cockayne@nist.gov RI Llobet, Anna/B-1672-2010; Wu, Hui/C-6505-2008 OI Wu, Hui/0000-0003-0296-5204 FU DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396] FX This work has benefited from the use of HIPD at the Lujan Center at Los Alamos Neutron Science Center, funded by the 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 19 TC 11 Z9 11 U1 5 U2 58 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2013 VL 87 IS 18 AR 184413 DI 10.1103/PhysRevB.87.184413 PG 11 WC Physics, Condensed Matter SC Physics GA 146TP UT WOS:000319115100002 ER PT J AU Nussinov, Z Johnson, P Graf, MJ Balatsky, AV AF Nussinov, Zohar Johnson, Patrick Graf, Matthias J. Balatsky, Alexander V. TI Mapping between finite temperature classical and zero temperature quantum systems: Quantum critical jamming and quantum dynamical heterogeneities SO PHYSICAL REVIEW B LA English DT Article ID FOKKER-PLANCK EQUATION; GLASS-FORMING LIQUIDS; COMPLEX PHYSICAL SYSTEMS; LENNARD-JONES MIXTURE; GROWING LENGTH SCALE; BISTABLE POTENTIALS; SUPERCOOLED LIQUID; FIELD-THEORIES; TRANSITION; TIME AB Many electronic systems (e. g., the cuprate superconductors and heavy fermions) exhibit striking features in their dynamical response over a prominent range of experimental parameters. While there are some empirical suggestions of particular increasing length scales that accompany such transitions in some cases, this identification is not universal and in numerous instances no large correlation length is evident. To better understand, as a matter of principle, such behavior in quantum systems, we extend a known mapping (earlier studied in stochastic or supersymmetric quantum mechanics) between finite temperature classical Fokker-Planck systems and related quantum systems at zero temperature to include general nonequilibrium dynamics. Unlike Feynman mappings or stochastic quantization methods in field theories (as well as more recent holographic type dualities), the classical systems that we consider and their quantum duals reside in the same number of space-time dimensions. The upshot of our very broad and rigorous result is that a Wick rotation exactly relates (i) the dynamics in general finite temperature classical dissipative systems to (ii) zero temperature dynamics in the corresponding dual many-body quantum systems. Using this correspondence, we illustrate that, even in the absence of imposed disorder, many continuum quantum fluid systems (and possible lattice counterparts) may exhibit a zero-point "quantum dynamical heterogeneity" wherein the dynamics, at a given instant, is spatially nonuniform. While the static length scales accompanying this phenomenon do not seem to exhibit a clear divergence in standard correlation functions, the length scale of the dynamical heterogeneities can increase dramatically. We further study "quantum jamming" and illustrate how a hard-core bosonic system can undergo a zero temperature quantum critical metal-to-insulator-type transition with an extremely large effective dynamical exponent z > 4 that is consistent with length scales that increase far more slowly than the relaxation time as a putative critical transition is approached. Similar results may hold for spin-liquid-type as well as interacting electronic systems. We suggest ways to analyze experimental data in order to adduce such phenomena. Our approach may be used to analyze other quenched quantum systems. C1 [Nussinov, Zohar; Johnson, Patrick] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Nussinov, Zohar] Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. [Graf, Matthias J.; Balatsky, Alexander V.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Balatsky, Alexander V.] NORDITA, S-10691 Stockholm, Sweden. RP Nussinov, Z (reprint author), Washington Univ, Dept Phys, St Louis, MO 63130 USA. FU National Science Foundation (NSF) [NSF DMR- 1106293]; NSF [NSF PHY11-25915, 1066293]; NNSA of the U. S. DOE at LANL through the Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC52-06NA25396] FX Z.N. thanks M. Alford, B. Altshuler, C. Bender, J. Cardy, S. Davis, S. Franz, V. Gurarie, A. Hamma, E.-A. Kim, A. Liu, S. Nagel, and C. Reichhardt for discussions and ongoing work. In particular, Sec. VIII was triggered by a question raised by E.-A. Kim and S. Davis. We thank C. Bender for a quick tutorial on aspects of Stokes' wedges on which Appendix A heavily relies. Work at Washington University in St. Louis has been supported by the National Science Foundation (NSF) under Grant No. NSF DMR- 1106293. Research at the KITP was supported, in part, by the NSF under Grant No. NSF PHY11-25915. Z.N. also thanks Los Alamos National Laboratory (LANL) where a part of this work was done. Z.N. and A.V.B. further thank the Aspen Center for Physics for hospitality and NSF Grant No. 1066293. Work at LANL was carried out under the auspices of the NNSA of the U. S. DOE at LANL under Contract No. DE-AC52-06NA25396 through the Office of Basic Energy Sciences, Division of Materials Science and Engineering. NR 118 TC 9 Z9 9 U1 0 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2013 VL 87 IS 18 AR 184202 DI 10.1103/PhysRevB.87.184202 PG 19 WC Physics, Condensed Matter SC Physics GA 146TP UT WOS:000319115100001 ER PT J AU Leonardis, E Chapman, SC Daughton, W Roytershteyn, V Karimabadi, H AF Leonardis, E. Chapman, S. C. Daughton, W. Roytershteyn, V. Karimabadi, H. TI Identification of Intermittent Multifractal Turbulence in Fully Kinetic Simulations of Magnetic Reconnection SO PHYSICAL REVIEW LETTERS LA English DT Article ID SOLAR-WIND TURBULENCE; SIMILARITY; CHALLENGE AB Recent fully nonlinear, kinetic three-dimensional simulations of magnetic reconnection [W. Daughton et al., Nat. Phys. 7, 539 (2011)] evolve structures and exhibit dynamics on multiple scales, in a manner reminiscent of turbulence. These simulations of reconnection are among the first to be performed at sufficient spatiotemporal resolution to allow formal quantitative analysis of statistical scaling, which we present here. We find that the magnetic field fluctuations generated by reconnection are anisotropic, have nontrivial spatial correlation, and exhibit the hallmarks of finite range fluid turbulence: they have non-Gaussian distributions, exhibit extended self-similarity in their scaling, and are spatially multifractal. Furthermore, we find that the rate at which the fields do work on the particles, J . E, is also multifractal, so that magnetic energy is converted to plasma kinetic energy in a manner that is spatially intermittent. This suggests that dissipation in this sense in collisionless reconnection on kinetic scales has an analogue in fluidlike turbulent phenomenology, in that it proceeds via multifractal structures generated by an intermittent cascade. C1 [Leonardis, E.; Chapman, S. C.] Univ Warwick, Ctr Fus Space & Astrophys, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Daughton, W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Roytershteyn, V.; Karimabadi, H.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Leonardis, E (reprint author), Univ Warwick, Ctr Fus Space & Astrophys, Dept Phys, Coventry CV4 7AL, W Midlands, England. EM e.leonardis@warwick.ac.uk RI Chapman, Sandra/C-2216-2008; Daughton, William/L-9661-2013; OI Chapman, Sandra/0000-0003-0053-1584; Roytershteyn, Vadim/0000-0003-1745-7587 FU NASA's Heliophysics Theory Program; [DE-SC0004662] FX E. L. and S. C. C. acknowledge the UK EPSRC and STFC. W. D., H. K., and V. R. acknowledge partial support from Grants No. DE-SC0004662 and NASA's Heliophysics Theory Program. Simulations were carried out on Kraken with an allocation of advanced computing resources provided by the National Science Foundation at the National Institute for Computational Sciences. NR 37 TC 25 Z9 25 U1 2 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 15 PY 2013 VL 110 IS 20 AR 205002 DI 10.1103/PhysRevLett.110.205002 PG 5 WC Physics, Multidisciplinary SC Physics GA 146UO UT WOS:000319118800005 PM 25167422 ER PT J AU Barco, J Gunawan, S Hogue, TS AF Barco, Janet Gunawan, Stephanie Hogue, Terri S. TI Seasonal controls on stream chemical export across diverse coastal watersheds in the USA SO HYDROLOGICAL PROCESSES LA English DT Article DE atmospheric deposition; hydro-chemically; chemical loads; hyperbolic model; hydrology ID SAN-BERNARDINO MOUNTAINS; LAND-USE; SOUTHERN-CALIFORNIA; SURFACE-WATER; SIERRA-NEVADA; CHEMISTRY; DEPOSITION; HYDROLOGY; NITROGEN; NITRATE AB The current study focuses on understanding key factors controlling geochemical export in eight diverse coastal watersheds at seasonal and annual time scales. Geochemical, atmospheric and hydrologic data across a range of hydro-climatic regimes and varying land uses were investigated and relationships analysed. A hyperbolic dilution model was fitted for each watershed system to evaluate dischargeconcentration relationships. Nitrate concentration effects were observed in watersheds exposed to high atmospheric deposition rates as well as agricultural watersheds, whereas urban watersheds showed nitrate dilution effects. Dilution patterns were observed for calcium, magnesium and sulfate for almost all watersheds. Seasonal loads for almost all constituents were noted to be mainly driven by hydrologic seasonality, but are also dependent on inputs (atmospheric deposition and land use sources). Understanding the primary controls on hydro-chemical interactions is critical for developing and refining predictive water quality models, especially in coastal watersheds where sensitive downstream ecosystems act as receiving waters for upstream pollutant loads. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Barco, Janet; Gunawan, Stephanie; Hogue, Terri S.] Univ Calif Los Angeles, Dept Civil & Environm Engn, Los Angeles, CA 90095 USA. [Barco, Janet] Sandia Natl Labs, Water Power Technol, Albuquerque, NM 87185 USA. RP Hogue, TS (reprint author), Univ Calif Los Angeles, Dept Civil & Environm Engn, 5731F Boelter Hall, Los Angeles, CA 90095 USA. EM thogue@seas.ucla.edu OI Barco, Janet/0000-0003-3919-0027 FU Calleguas Municipal Water District; Science and Technology Center, SAHRA, at the University of Arizona FX This research was partially supported by funds from the Calleguas Municipal Water District and the Science and Technology Center, SAHRA, at the University of Arizona. Special thanks to Helen Jung for GIS assistance and to Sonya Lopez, Miluska Propersi and Elena Garcia for sampling collections in the Arroyo Seco watershed. We also thank the Los Angeles Department of Public Works (LADPW) for supplying precipitation data. NR 40 TC 4 Z9 4 U1 0 U2 16 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1099-1085 J9 HYDROL PROCESS JI Hydrol. Process. PD MAY 15 PY 2013 VL 27 IS 10 BP 1440 EP 1453 DI 10.1002/hyp.9294 PG 14 WC Water Resources SC Water Resources GA 136GO UT WOS:000318350600007 ER PT J AU Lu, YX Jiang, Y Yang, Z Han, JT Huang, YH Ma, J AF Lu, Yang-Xuan Jiang, Yan Yang, Ze Han, Jian-Tao Huang, Yun-Hui Ma, Jun TI Polymer-assisted synthesis of LiNi2/3Mn1/3O2 cathode material with enhanced electrochemical performance SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Layered oxide; Cathode; Polymer assistance; Lithium-ion battery; Electrochemical performance ID LITHIUM-ION BATTERIES; HIGH-CAPACITY CATHODE; LAYERED LINI0.5MN0.5O2; HIGH-POWER; TEMPERATURE; CHALLENGES; BEHAVIOR; XPS AB A facile polymer-assisted method is developed to prepare LiNi2/3Mn1/3O2 cathode material with polyethylene glycol (PEG400) as the sacrificial template. The structure, morphology, cationic ordering and oxidation state of transition metal ions have been investigated. With assistance of proper amount of PEG, the obtained sample shows improved cyclic performance and rate capability. Initial discharge capacity of 172 mA h g(-1) at 0.1 C is attained. The improvement in electrochemical performance can be ascribed to the low Li/Ni cation disorder, good crystallization and uniform morphology promoted by PEG assistance. (C) 2013 Elsevier B. V. All rights reserved. C1 [Lu, Yang-Xuan; Jiang, Yan; Yang, Ze; Huang, Yun-Hui] Huazhong Univ Sci & Technol, Sch Mat Sci & Engn, Wuhan 430074, Hubei, Peoples R China. [Han, Jian-Tao] Los Alamos Natl Lab, LANSCE Lujan Ctr, Los Alamos, NM 87545 USA. [Ma, Jun] Tongji Univ, Sch Automot Studies, Shanghai 201804, Peoples R China. [Lu, Yang-Xuan; Jiang, Yan; Yang, Ze; Huang, Yun-Hui] Minist Educ, Key Lab Adv Battery Mat & Syst, Wuhan 430074, Hubei, Peoples R China. RP Huang, YH (reprint author), Huazhong Univ Sci & Technol, Sch Mat Sci & Engn, Wuhan 430074, Hubei, Peoples R China. EM huangyh@mail.hust.edu.cn; jun_ma@tongji.edu.cn RI han, jiantao/F-8021-2010; Huang, Yunhui/C-3752-2014 OI han, jiantao/0000-0002-9509-3785; FU Natural Science Foundation of China [21175050]; 863 program of the MOST [2011AA11290, 2011DFB70020]; PCSIRT (Program for Changjiang Scholars and Innovative Research Team in University) FX This work was supported by the Natural Science Foundation of China (Grant No. 21175050), the 863 program of the MOST (Grant Nos. 2011AA11290 and 2011DFB70020), and the PCSIRT (Program for Changjiang Scholars and Innovative Research Team in University). In addition, the authors thank Analytical and Testing Center of HUST for some measurements. NR 35 TC 10 Z9 10 U1 2 U2 75 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD MAY 15 PY 2013 VL 559 BP 203 EP 208 DI 10.1016/j.jallcom.2013.01.065 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 113PK UT WOS:000316679800035 ER PT J AU Vismeh, R Humpula, JF Chundawat, SPS Balan, V Dale, BE Jones, AD AF Vismeh, Ramin Humpula, James F. Chundawat, Shishir P. S. Balan, Venkatesh Dale, Bruce E. Jones, A. Daniel TI Profiling of soluble neutral oligosaccharides from treated biomass using solid phase extraction and LC-TOF MS SO CARBOHYDRATE POLYMERS LA English DT Article DE Ammonia fiber expansion (AFEX) pretreatment; Arabinoxylans; Corn stover; Glucans; Porous graphitized carbon (PGC); Solid phase extraction (SPE) ID ELECTROSPRAY MASS-SPECTROMETRY; PERFORMANCE LIQUID-CHROMATOGRAPHY; ANION-EXCHANGE CHROMATOGRAPHY; HYDROPHILIC INTERACTION CHROMATOGRAPHY; ASSISTED-LASER-DESORPTION/IONIZATION; LINKAGE POSITION DETERMINATION; COLLISION-INDUCED DISSOCIATION; XYLO-OLIGOSACCHARIDES; STRUCTURAL-CHARACTERIZATION; STRUCTURE ELUCIDATION AB Thermochemical pretreatments of cellulosic biomass are known to improve cell wall enzymatic digestibility, while simultaneously releasing substantial amounts of soluble oligosaccharides. Profiling of oligosaccharides released during pretreatment yields information essential for choosing glycosyl hydrolases necessary for cost-effective conversion of cellulosic biomass to desired biofuel/biochemical end-products. In this report we present a methodology for profiling of soluble neutral oligosaccharides released from ammonia fiber expansion (AFEX (TM))-pretreated corn stover. Our methodology employs solid phase extraction (SPE) enrichment of oligosaccharides using porous graphitized carbon (PGC), followed by high performance liquid chromatography (HPLC) separation using a polymeric amine based column and electrospray ionization time-of-flight mass spectrometry (ESI-TOF-MS). For structural elucidation on the chromatographic time scale, nonselective multiplexed collision-induced dissociation was performed for quasi-simultaneous acquisition of oligosaccharide molecular and fragment masses in a single analysis. These analyses revealed glucans up to degree of polymerization (DP) 22 without modifications. Additionally, arabinoxylans up to DP = 6 were detected in pretreated biomass extracts (post-enzymatic digestion). Cross-ring fragment ion abundances were consistent with assignment of linkages between sugar units in glucans and also xylose backbone in arabinoxylans as 1-4 linkages. Comprehensive profiling of soluble oligosaccharides also demonstrated decreases in levels of acetate esters of arabinoxylan oligosaccharides with concomitant increases in nonacetylated oligosaccharides that were consistent with earlier observations of 85% release of acetate esters by AFEX (TM) pretreatment. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Vismeh, Ramin; Jones, A. Daniel] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Humpula, James F.; Chundawat, Shishir P. S.; Balan, Venkatesh; Dale, Bruce E.] Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Vismeh, Ramin; Humpula, James F.; Balan, Venkatesh; Dale, Bruce E.; Jones, A. Daniel] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Chundawat, Shishir P. S.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI USA. [Jones, A. Daniel] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. RP Jones, AD (reprint author), Michigan State Univ, Dept Biochem & Mol Biol, 603 Wilson Rd,Biochem Room 212, E Lansing, MI 48824 USA. EM vismehra@msu.edu; humpulaj@egr.msu.edu; chundawa@msu.edu; balan@egr.msu.edu; bdale@egr.msu.edu; jonesar4@msu.edu OI Jones, A. Daniel/0000-0002-7408-6690; Chundawat, Shishir/0000-0003-3677-6735 FU Great Lakes Bioenergy Research Center; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DEFC02-07ER64494]; Board of Regents of the University of Wisconsin System; U. S. Department of Energy; Michigan AgBioResearch FX This work was funded by Great Lakes Bioenergy Research Center (http://www.greatlakesbioenergy.org/) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through Cooperative Agreement DEFC02-07ER64494 between The Board of Regents of the University of Wisconsin System and the U. S. Department of Energy. Michigan AgBioResearch provided additional support. The authors thank Lijun Chen, Beverly Chamberlin, and Dr. Scott Smith from RTSF Mass Spectrometry and Metabolomics Core at Michigan State University for technical support. NR 55 TC 11 Z9 11 U1 5 U2 69 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0144-8617 J9 CARBOHYD POLYM JI Carbohydr. Polym. PD MAY 15 PY 2013 VL 94 IS 2 BP 791 EP 799 DI 10.1016/j.carbpol.2013.02.005 PG 9 WC Chemistry, Applied; Chemistry, Organic; Polymer Science SC Chemistry; Polymer Science GA 130US UT WOS:000317946200010 PM 23544634 ER PT J AU Anand, VK Adroja, DT Hillier, AD AF Anand, V. K. Adroja, D. T. Hillier, A. D. TI Magnetic and transport properties of PrRhSi3 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID SPIN-GLASS; RELAXATION; CECOGE3; PHASES AB We have investigated the magnetic and transport properties of a noncentrosymmetric compound PrRhSi3 by dc magnetic susceptibility chi(T), isothermal magnetization M(H), thermoremanent magnetization M(t), specific heat C-p(T), electrical resistivity rho(T, H) and muon spin relaxation (mu SR) measurements. At low fields chi(T) shows two anomalies near 15 and 7 K with an irreversibility between ZFC and FC data below 15 K. In contrast, no anomaly is observed in C-p(T) or rho(T) data. M(H) data at 2 K exhibit very sharp increase below 0.5 T and a weak hysteresis. M(t) exhibits very slow relaxation, typical for a spin-glass system. Even though the absence of any anomaly in C-p(T) is consistent with the spin-glass type behavior, there is no obvious origin of spin-glass behavior in this structurally well ordered compound. The crystal electric field (CEF) analysis of C-p(T) data indicates a CEF-split singlet ground state lying below a doublet at 81(1) K and a quasi-triplet at 152(2) K. The rho(T) data indicate a metallic behavior, and rho(H) exhibits a very high positive magnetoresistance, as high as similar to 300% in 9 T at 2 K. No long range magnetic order or spin-glass behavior was detected in a mu SR experiment down to 1.2 K. C1 [Anand, V. K.; Adroja, D. T.; Hillier, A. D.] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. RP Anand, VK (reprint author), Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA. EM vivekkranand@gmail.com RI Anand, Vivek Kumar/J-3381-2013; Hillier, Adrian/A-9331-2015 OI Anand, Vivek Kumar/0000-0003-2023-7040; Hillier, Adrian/0000-0002-2391-8581 FU CMPC-STFC [CMPC-09108] FX We acknowledge financial assistance from CMPC-STFC grant number CMPC-09108. NR 37 TC 2 Z9 2 U1 1 U2 18 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAY 15 PY 2013 VL 25 IS 19 AR 196003 DI 10.1088/0953-8984/25/19/196003 PG 8 WC Physics, Condensed Matter SC Physics GA 132LP UT WOS:000318070100025 PM 23604428 ER PT J AU Zhu, YK Mendelsberg, RJ Zhu, JQ Han, JC Anders, A AF Zhu, Yuankun Mendelsberg, Rueben J. Zhu, Jiaqi Han, Jiecai Anders, Andre TI Dopant-induced band filling and bandgap renormalization in CdO : In films SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID TRANSPARENT CONDUCTING OXIDES; THIN-FILMS; CADMIUM-OXIDE; ELECTRICAL-PROPERTIES; ELECTRONIC-STRUCTURE; LASER DEPOSITION; EFFECTIVE-MASS; MOCVD; SEMICONDUCTORS; MOBILITY AB The effect of carrier concentration on the Fermi level and bandgap renormalization in over 30 indium-doped cadmium oxide (CdO : In) films with carrier concentrations ranging from 1 to 15 x 10(20) cm(-3) was studied using the two-band k . p model with electron-electron and electron-ion interactions. It is shown that the Tauc relation, which is based on parabolic valence and conduction bands, overestimates the optical bandgap in the CdO films. Theoretical calculations of the optical bandgap give good agreement with experiments by taking into account the Burstein-Moss effect for a nonparabolic conduction band and bandgap renormalization effects. The band filling and bandgap renormalization in these CdO : In films are about 0.5-1.2 eV and 0.1-0.3 eV, respectively. C1 [Zhu, Yuankun; Zhu, Jiaqi; Han, Jiecai] Harbin Inst Technol, Ctr Composite Mat & Struct, Harbin 150080, Peoples R China. [Mendelsberg, Rueben J.; Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Plasma Applicat Grp, Berkeley, CA 94720 USA. [Mendelsberg, Rueben J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Zhu, YK (reprint author), Harbin Inst Technol, Ctr Composite Mat & Struct, Harbin 150080, Peoples R China. EM zhujq@hit.edu.cn RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 FU LDRD Program of the Lawrence Berkeley National Laboratory; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, of the US Department of Energy under US Department of Energy [DE-AC02-05CH11231]; National Natural Science Foundation of China [51072039, 51222205]; PhD Programs Foundation of the Ministry of Education of China [20112302110036] FX This research was supported by the LDRD Program of the Lawrence Berkeley National Laboratory, by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, of the US Department of Energy under US Department of Energy Contract No DE-AC02-05CH11231. Additional support was provided by the National Natural Science Foundation of China (Grant Nos 51072039 and 51222205), and the PhD Programs Foundation of the Ministry of Education of China (20112302110036). NR 42 TC 12 Z9 12 U1 3 U2 34 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 EI 1361-6463 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD MAY 15 PY 2013 VL 46 IS 19 AR 195102 DI 10.1088/0022-3727/46/19/195102 PG 5 WC Physics, Applied SC Physics GA 133OC UT WOS:000318146900003 ER PT J AU Adams, DP Hodges, VC Hirschfeld, DA Rodriguez, MA McDonald, JP Kotula, PG AF Adams, D. P. Hodges, V. C. Hirschfeld, D. A. Rodriguez, M. A. McDonald, J. P. Kotula, P. G. TI Nanosecond pulsed laser irradiation of stainless steel 304L: Oxide growth and effects on underlying metal SO SURFACE & COATINGS TECHNOLOGY LA English DT Article DE Laser color marking; Oxidation; Stainless steel; Coating ID INDUCED OXIDATION; ASSISTED OXIDATION; FILMS; TITANIUM; SPINELS; COPPER; FE3O4; AIR AB Nanosecond-pulsed, infrared (1064 nm) laser irradiation was used to create metal oxide coatings on the surface of polished stainless steel 304L austenite for application as color markings and unique tags/identifiers. By rastering a Gaussian-shaped, focused laser beam across a specimen in air, continuous metal oxide coatings were grown to thicknesses in the range of 20 to similar to 500 nm. Oxide coating thickness generally increased with laser fluence. However, for large accumulated fluences in excess of similar to 600-800 J/cm(2), oxide growth was affected by evaporation and particle ejection resulting in a decreased coating thickness. Transmission electron microscopy and X-ray diffraction revealed that oxide coatings developed a polycrystalline, spinel structure having a lattice constant = 8.4 angstrom (consistent with MnCr2O4 and Fe3O4). Pulsed laser irradiation and oxide growth modified the composition of stainless steel substrates by reducing the Cr and Mn concentration within the melt zone. The reflectance and chromaticity of laser-fabricated oxide coatings were characterized using spectrophotometry. These optical properties are described in the context of measured oxide thicknesses. (c) 2013 Elsevier B.V. All rights reserved. C1 [Adams, D. P.; Hodges, V. C.; Hirschfeld, D. A.; Rodriguez, M. A.; McDonald, J. P.; Kotula, P. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Adams, DP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dpadams@sandia.gov RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 FU Defense Threat Reduction Agency, Basic Research Award [IACRO 10-42571]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors appreciate the assistance of D. Saiz, A. Kilgo, E.D. Jones Jr. and M. Rye. DPA appreciates discussions with B. Jared. This work was supported by the Defense Threat Reduction Agency, Basic Research Award # IACRO 10-42571, to Sandia National Laboratories. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 39 TC 14 Z9 15 U1 0 U2 43 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD MAY 15 PY 2013 VL 222 BP 1 EP 8 DI 10.1016/j.surfcoat.2012.12.044 PG 8 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 133JQ UT WOS:000318135100001 ER PT J AU Priftis, D Megley, K Laugel, N Tirrell, M AF Priftis, Dimitrios Megley, Katie Laugel, Nicolas Tirrell, Matthew TI Complex coacervation of poly(ethylene-imine)/polypeptide aqueous solutions: Thermodynamic and rheological characterization SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE Complex coacervation; Isothermal titration microcalorimetry; Rheology; Polypeptides ID OPPOSITELY CHARGED POLYELECTROLYTES; BOVINE SERUM-ALBUMIN; PHRAGMATOPOMA-CALIFORNICA; SUBSEQUENT ADDITION; SYSTEMS; PROTEIN; MULTILAYERS; SALT; POLYPEPTIDE; CHLORIDE) AB This study is aimed at understanding the complex coacervation of two systems: branched poly(ethyleneimine) with linear poly(D,L-glutamic acid) or poly(D,L-aspartic acid), and identify differences and similarities with previously reported systems. Three different techniques (turbidity, isothermal titration microcalorimetry-ITC and rheology) were used in a comprehensive study of coacervation. Sample turbidity was used to show how various parameters (salt, stoichiometry, pH, temperature) affect complex coacervation. Complex coacervation decreases with increase in salt and coacervate formation is maximum when a 31:69 mol% acid:base ratio is used. Rare in literature phase diagrams revealed that coacervates are formed over a wide range of acid:base ratios (15-88 mol% NH3+ groups), significantly broader compared to other systems. ITC was used for the thermodynamic characterization of the complexation between the polyelectrolytes, and showed that complex coacervation is entropy-driven (from the release of counter-ions) and enthalpically unfavored process. Composition and viscoelastic properties of the complex coacervates were examined gravimetrically and through rheology. Coacervate water content depends on the salt concentration and the stoichiometry. Coacervates exhibit a viscoelastic behavior that is dependent on the salt concentration. Master curves that can predict behavior at a wide range of time scales, not accessible by conventional rheological measurements, were created. (C) 2013 Elsevier Inc. All rights reserved. C1 [Priftis, Dimitrios; Megley, Katie; Laugel, Nicolas; Tirrell, Matthew] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Laugel, Nicolas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Priftis, D (reprint author), Univ Chicago, Inst Mol Engn, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM dpriftis@uchicago.edu FU National Science Foundation [DMR-0710521]; Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231]; Argonne National Laboratory under U.S. Department of Energy [DE-AC02-06CH11357] FX The authors acknowledge Dr. Matthew Kade, Dr. Lorraine Leon and Dr. Sarah Perry for their helpful discussions on complex coacervation during the preparation of this manuscript. Work on complex coacervation in our group has been supported by the National Science Foundation under Award No. DMR-0710521, by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231 and by the Argonne National Laboratory under U.S. Department of Energy Contract No. DE-AC02-06CH11357 NR 55 TC 32 Z9 32 U1 5 U2 100 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 EI 1095-7103 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD MAY 15 PY 2013 VL 398 BP 39 EP 50 DI 10.1016/j.jcis.2013.01.055 PG 12 WC Chemistry, Physical SC Chemistry GA 125LB UT WOS:000317540200006 PM 23518303 ER PT J AU Hittinger, JAF Banks, JW AF Hittinger, J. A. F. Banks, J. W. TI Block-structured adaptive mesh refinement algorithms for Vlasov simulation SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Kinetic simulations; Vlasov; Finite-volume methods; Adaptive mesh refinement ID SEMI-LAGRANGIAN SCHEMES; FINITE-VOLUME METHODS; PHASE-SPACE; GYROKINETIC EQUATIONS; RAMAN-SCATTERING; PLASMA; ACCELERATION; INTEGRATION; SOLVERS; WAVES AB Direct discretization of continuum kinetic equations, like the Vlasov equation, are under-utilized because the distribution function generally exists in a high-dimensional (>3D) space and computational cost increases geometrically with dimension. We propose to use high-order finite-volume techniques with block-structured adaptive mesh refinement (AMR) to reduce the computational cost. The primary complication comes from a solution state comprised of variables of different dimensions. We develop the algorithms required to extend standard single-dimension block structured AMR to the multi-dimension case. Specifically, algorithms for reduction and injection operations that transfer data between mesh hierarchies of different dimensions are explained in detail. In addition, modifications to the basic AMR algorithm that enable the use of high-order spatial and temporal discretizations are discussed. Preliminary results for a standard 1D+1V Vlasov-Poisson test problem are presented. Results indicate that there is potential for significant savings for some classes of Vlasov problems. (C) 2013 Elsevier Inc. All rights reserved. C1 [Hittinger, J. A. F.; Banks, J. W.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Hittinger, JAF (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, L-561, Livermore, CA 94551 USA. EM hittinger1@llnl.gov; banks20@llnl.gov RI Banks, Jeffrey/A-9718-2012 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [08-ERD-031. LLNL-JRNL-515291] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract number DE-AC52-07NA27344. This work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 08-ERD-031. LLNL-JRNL-515291. NR 51 TC 5 Z9 5 U1 2 U2 14 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD MAY 15 PY 2013 VL 241 BP 118 EP 140 DI 10.1016/j.jcp.2013.01.030 PG 23 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 120QK UT WOS:000317186100008 ER PT J AU Bilionis, I Zabaras, N Konomi, BA Lin, G AF Bilionis, Ilias Zabaras, Nicholas Konomi, Bledar A. Lin, Guang TI Multi-output separable Gaussian process: Towards an efficient, fully Bayesian paradigm for uncertainty quantification SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Bayesian; Gaussian process; Uncertainty quantification; Separable covariance function; Surrogate models; Stochastic partial differential equations; Kronecker product ID STOCHASTIC DIFFERENTIAL-EQUATIONS; LINEAR COREGIONALIZATION MODEL; RANDOM INPUT DATA; COMPUTER EXPERIMENTS; COLLOCATION METHOD; POLYNOMIAL CHAOS; VARIOGRAM; CALIBRATION; PRODUCT; OUTPUT AB Computer codes simulating physical systems usually have responses that consist of a set of distinct outputs (e. g., velocity and pressure) that evolve also in space and time and depend on many unknown input parameters (e. g., physical constants, initial/boundary conditions, etc.). Furthermore, essential engineering procedures such as uncertainty quantification, inverse problems or design are notoriously difficult to carry out mostly due to the limited simulations available. The aim of this work is to introduce a fully Bayesian approach for treating these problems which accounts for the uncertainty induced by the finite number of observations. Our model is built on a multi-dimensional Gaussian process that explicitly treats correlations between distinct output variables as well as space and/or time. The proper use of a separable covariance function enables us to describe the huge covariance matrix as a Kronecker product of smaller matrices leading to efficient algorithms for carrying out inference and predictions. The novelty of this work, is the recognition that the Gaussian process model defines a posterior probability measure on the function space of possible surrogates for the computer code and the derivation of an algorithmic procedure that allows us to sample it efficiently. We demonstrate how the scheme can be used in uncertainty quantification tasks in order to obtain error bars for the statistics of interest that account for the finite number of observations. (C) 2013 Elsevier Inc. All rights reserved. C1 [Bilionis, Ilias; Zabaras, Nicholas] Cornell Univ, Ctr Appl Math, Ithaca, NY 14853 USA. [Bilionis, Ilias; Zabaras, Nicholas] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Mat Proc Design & Control Lab, Ithaca, NY 14853 USA. [Konomi, Bledar A.; Lin, Guang] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. RP Zabaras, N (reprint author), Cornell Univ, Sibley Sch Mech & Aerosp Engn, Mat Proc Design & Control Lab, 101 Frank HT Rhodes Hall, Ithaca, NY 14853 USA. EM zabaras@cornell.edu FU OSD/AFOSR; US Department of Energy, Office of Science, Advanced Scientific Computing Research; National Science Foundation (NSF) [DMS-1214282]; US DOE Office of Advanced Scientific Computing Research; US Department of Energy [DE-AC05-76RL01830]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF through NCSA [TG-DMS090007] FX The research at Cornell was supported by an OSD/AFOSR MURI09 award on uncertainty quantification, the US Department of Energy, Office of Science, Advanced Scientific Computing Research and the Computational Mathematics program of the National Science Foundation (NSF) (award DMS-1214282). The research at Pacific Northwest National Laboratory (PNNL) was supported by the Applied Mathematics program of the US DOE Office of Advanced Scientific Computing Research. PNNL is operated by Battelle for the US Department of Energy under Contract DE-AC05-76RL01830. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Additional computing resources were provided by the NSF through TeraGrid resources provided by NCSA under Grant No. TG-DMS090007. NR 43 TC 17 Z9 17 U1 5 U2 28 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD MAY 15 PY 2013 VL 241 BP 212 EP 239 DI 10.1016/j.jcp.2013.01.011 PG 28 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 120QK UT WOS:000317186100012 ER PT J AU Kapahi, A Sambasivan, S Udaykumar, HS AF Kapahi, A. Sambasivan, S. Udaykumar, H. S. TI A three-dimensional sharp interface Cartesian grid method for solving high speed multi-material impact, penetration and fragmentation problems SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Eulerian; Sharp interface methods; Cartesian grid methods; Level-set methods; Ghost fluid method (GFM); Deviatoric stress; First invariant of stress tensor; High velocity impact; Penetration; Elasto-plastic solids; Shock interface interactions; Fragmentation ID GHOST FLUID METHOD; LEVEL SET; VOID COLLAPSE; IMPLEMENTATION; SIMULATIONS; PROPAGATION; SCHEMES; FLOWS AB This work presents a three-dimensional, Eulerian, sharp interface, Cartesian grid technique for simulating the response of elasto-plastic solid materials to hypervelocity impact, shocks and detonations. The mass, momentum and energy equations are solved along with evolution equations for deviatoric stress and plastic strain using a third-order finite difference scheme. Material deformation occurs with accompanying nonlinear stress wave propagation; in the Eulerian framework the boundaries of the deforming material are tracked in a sharp fashion using level-sets and the conditions on the immersed boundaries are applied by suitable modifications of a ghost fluid approach. The dilatational response of the material is modeled using the Mie-Gruneisen equation of state and the Johnson-Cook model is employed to characterize the material response due to rate-dependent plastic deformation. Details are provided on the treatment of the deviatoric stress ghost state so that physically correct boundary conditions can be applied at the material interfaces. An efficient parallel algorithm is used to handle computationally intensive three-dimensional problems. The results demonstrate the ability of the method to simulate high-speed impact, penetration and fragmentation phenomena in three dimensions. (C) 2013 Elsevier Inc. All rights reserved. C1 [Kapahi, A.; Udaykumar, H. S.] Univ Iowa, Dept Mech & Ind Engn, Iowa City, IA 52242 USA. [Sambasivan, S.] Los Alamos Natl Lab, Div Theoret, Grp T5, Los Alamos, NM 87545 USA. RP Udaykumar, HS (reprint author), Univ Iowa, Dept Mech & Ind Engn, Iowa City, IA 52242 USA. EM ush@engineering.uiowa.edu FU AFOSR Computational Mathematics program; AFRL-RWPC (Computational Mechanics Branch, Eglin AFB) FX This work was performed under grants from the AFOSR Computational Mathematics program (Program Manager: Dr. Fariba Fahroo) and from the AFRL-RWPC (Computational Mechanics Branch, Eglin AFB, Program Manager: Dr. Michael E. Nixon). NR 55 TC 6 Z9 6 U1 3 U2 34 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD MAY 15 PY 2013 VL 241 BP 308 EP 332 DI 10.1016/j.jcp.2013.01.007 PG 25 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 120QK UT WOS:000317186100017 ER PT J AU Tian, L Kim, H Anderson, I Russell, A AF Tian, Liang Kim, Hyongjune Anderson, Iver Russell, Alan TI The microstructure-strength relationship in a deformation processed Al-Ca composite SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Aluminum alloys; Composites; Powder metallurgy; Microstructure; Interfaces; Mechanical properties ID IN-SITU COMPOSITES; MECHANICAL-PROPERTIES; INTERPHASE BARRIER; INSITU COMPOSITES; METAL COMPOSITE; NB COMPOSITE; ALLOYS; AG; WIRES AB An Al-9 vol% Ca composite was produced by powder metallurgy and deformation processing. The Al-Ca composite was extruded, swaged and wire drawn to a deformation true strain of 13.8. Both Al and Ca are face-centered cubic, so the Ca second phase deformed into continuous, nearly cylindrical filaments in the Al matrix. The formation of intermetallic compounds, filament coarsening, and spheriodization at elevated temperature was observed by scanning electron microscopy, differential scanning calorimetry, and X-ray diffraction. Both the thickness and spacing of the Ca filaments decreased exponentially with increasing deformation. The ultimate tensile strength of the composite increased rapidly with increased deformation, especially at high deformation processing strains. The relation between deformation true strain and ultimate tensile strength is underestimated by the rule of mixtures; a modified Hall-Petch barrier strengthening model was found to fit the data better. (c) 2013 Elsevier B.V. All rights reserved. C1 [Tian, Liang; Kim, Hyongjune; Anderson, Iver; Russell, Alan] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Tian, Liang; Anderson, Iver; Russell, Alan] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Kim, Hyongjune] Korea Inst Ind Technol, Pusan 604030, South Korea. RP Tian, L (reprint author), Iowa State Univ, Dept Mat Sci & Engn, 2220 Hoover Hall, Ames, IA 50011 USA. EM ltian@iastate.edu OI Russell, Alan/0000-0001-5264-0104 FU Iowa State University Research Foundation; Electric Power Research Center of Iowa State University; Department of Energy through Ames Laboratory [DE-AC02-07CH11358]; U.S. DOE [DE-AC02-06CH11357] FX The authors gratefully acknowledge the laboratory assistance of B. Rattle and A.E. Frerichs and the technical assistance of T. Riedemann in this work Also, the authors truly appreciate the financial support of the Iowa State University Research Foundation, the Electric Power Research Center of Iowa State University, and the Department of Energy through Ames Laboratory contract no. DE-AC02-07CH11358, who made this work possible. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under contract no. DE-AC02-06CH11357. NR 45 TC 6 Z9 6 U1 3 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD MAY 15 PY 2013 VL 570 BP 106 EP 113 DI 10.1016/j.msea.2013.01.062 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 123FW UT WOS:000317374800014 ER PT J AU Linn, RR Sieg, CH Hoffman, CM Winterkamp, JL McMillin, JD AF Linn, Rodman R. Sieg, Carolyn H. Hoffman, Chad M. Winterkamp, Judith L. McMillin, Joel D. TI Modeling wind fields and fire propagation following bark beetle outbreaks in spatially-heterogeneous pinyon-juniper woodland fuel complexes SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE Heterogeneous woodlands; Bark beetle tree mortality; Fire behavior; FIRETEC; Wind turbulence ID LARGE-EDDY SIMULATION; NEUTRALLY STRATIFIED FLOW; TURBULENT-FLOW; FOREST EDGE; CROWN FIRE; LODGEPOLE PINE; MOUNTAIN PINE; NUMERICAL-SIMULATION; CANOPY STRUCTURE; FOLIAR DENSITY AB We used a physics-based model, HIGRAD/FIRETEC, to explore changes in within-stand wind behavior and fire propagation associated with three time periods in pinyon-juniper woodlands following a drought-induced bark beetle outbreak and subsequent tree mortality. Pinyon-juniper woodland fuel complexes are highly heterogeneous. Trees often are clumped, with sparse patches of herbaceous vegetation scattered between clumps. Extensive stands of dead pinyon trees intermixed with live junipers raised concerns about increased fire hazard, especially immediately after the trees died and dead needles remained in the trees, and later when the needles had dropped to the ground. Studying fire behavior in such conditions requires accounting for the impacts of the evolving heterogeneous nature of the woodlands and its influence on winds that drive fires. For this reason we used a coupled atmosphere/fire model, HIGRAD/FIRETEC, to examine the evolving stand structure effects on wind penetration through the stand and subsequent fire propagation in these highly heterogeneous woodlands. Specifically, we studied how these interactions changed in woodlands without tree mortality, in the first year when dried needles clung to the dead trees, and when the needles dropped to the ground under two ambient wind speeds. Our simulations suggest that low wind speeds of 2.5 m/s at 7.5-m height were not sufficient to carry the fire through the discontinuous woodland stands without mortality, but 4.5 m/s winds at 7.5-m height were sufficient to carry the fire. Fire propagation speed increased two-fold at these low wind speeds when dead needles were on the trees compared to live woodlands. When dead needles fell to the ground, fine fuel loadings were increased and ambient wind penetration was increased enough to sustain burning even at low wind speeds. At the higher ambient wind speeds, fire propagation in woodlands with dead needles on the trees also increased by a factor of 2 over propagation in live woodlands. These simulations indicate that sparse fuels in these heterogeneous woodlands can be overcome in three ways: by decreasing fuel moisture content of the needles with the death of the trees, by moving canopy dead needles to the ground and thus allowing greater wind penetration and turbulent flow into the woodland canopy, and increasing above-canopy wind speeds. (C) 2012 Elsevier B.V. All rights reserved. C1 [Linn, Rodman R.; Winterkamp, Judith L.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87544 USA. [Sieg, Carolyn H.] ARS, USDA, Rocky Mt Res Stn, Flagstaff, AZ 86001 USA. [Hoffman, Chad M.] Colorado State Univ, Dept Forest & Rangeland Stewardship, Ft Collins, CO 80523 USA. [McMillin, Joel D.] ARS, USDA, Flagstaff, AZ 86001 USA. RP Linn, RR (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, POB 1663, Los Alamos, NM 87544 USA. EM rrl@lanl.gov; csieg@fs.fed.us; c.hoffman@colostate.edu; judyw@lanl.gov; jmcmillin@fs.fed.us OI Hoffman, Chad/0000-0001-8715-937X FU National Fire Plan dollars; Apache-Sitgreaves; Coconino; Kaibab National Forests; Los Alamos National Laboratory and Research Joint Venture [09-IA-11221633-215, 09-JV-11221633-325]; University of Idaho; USDA Forest Service, Forest Health Monitoring, Evaluation Monitoring [INT-F-07-01] FX This research was funded by National Fire Plan dollars as directed by USDA Forest Service, Rocky Mountain Research Station and Washington Office, Interagency Agreement 09-IA-11221633-215 with Los Alamos National Laboratory and Research Joint Venture 09-JV-11221633-325 with University of Idaho; USDA Forest Service, Forest Health Monitoring, Evaluation Monitoring grant INT-F-07-01; USDA Forest Service Southwestern Region, Forest Health; and Los Alamos National Laboratory. Los Alamos National Laboratory's Institutional Computing Program provided computational resources. Christian Hoffman and Christopher Looney helped collect and enter field data. We also thank the Apache-Sitgreaves, Coconino, and Kaibab National Forests for their support of this research. NR 78 TC 12 Z9 12 U1 2 U2 35 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD MAY 15 PY 2013 VL 173 BP 139 EP 153 DI 10.1016/j.agrformet.2012.11.007 PG 15 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 120LG UT WOS:000317171200013 ER PT J AU Navarre-Sitchler, AK Cole, DR Rother, G Jin, LX Buss, HL Brantley, SL AF Navarre-Sitchler, Alexis K. Cole, David R. Rother, Gernot Jin, Lixin Buss, Heather L. Brantley, Susan L. TI Porosity and surface area evolution during weathering of two igneous rocks SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID ANGLE NEUTRON-SCATTERING; LUQUILLO EXPERIMENTAL FOREST; PUERTO-RICO; BEDROCK INTERFACE; SILICATE MINERALS; QUARTZ DIORITE; RIND FORMATION; RATES; DISSOLUTION; BASALT AB During weathering, rocks release nutrients and store water vital for growth of microbial and plant life. Thus, the growth of porosity as weathering advances into bedrock is a life-sustaining process for terrestrial ecosystems. Here, we use small-angle and ultra small-angle neutron scattering to show how porosity develops during initial weathering under tropical conditions of two igneous rock compositions, basaltic andesite and quartz diorite. The quartz diorite weathers spheroidally while the basaltic andesite does not. The weathering advance rates of the two systems also differ, perhaps due to this difference in mechanism, from 0.24 to 100 mm kyr(-1), respectively. The scattering data document how surfaces inside the feldspar-dominated rocks change as weathering advances into the protolith. In the unaltered rocks, neutrons scatter from two types of features whose dimensions vary from 6 nm to 40 mu m: pores and bumps on pore-grain surfaces. These features result in scattering data for both unaltered rocks that document multi-fractal behavior: scattering is best described by amass fractal dimension (D-m) and a surface fractal dimension (D-s) for features of length scales greater than and less than similar to 1 mu m, respectively. In the basaltic andesite, D-m is approximately 2.9 and D-s is approximately 2.7. The mechanism of solute transport during weathering of this rock is diffusion. Porosity and surface area increase from similar to 1.5% to 8.5% and 3 to 23 m 2 g(-1) respectively in a relatively consistent trend across the mm-thick plagioclase reaction front. Across this front, both fractal dimensions decrease, consistent with development of a more monodisperse pore network with smoother pore surfaces. Both changes are consistent largely with increasing connectivity of pores without significant surface roughening, as expected for transport-limited weathering. In contrast, porosity and surface area increase from 1.3% to 9.5% and 1.5 to 13 m(2) g(-1) respectively across a many cm-thick reaction front in the spheroidally weathering quartz diorite. In that rock, D-m is approximately 2.8 and D-s is approximately 2.5 prior to weathering. These two fractals transform during weathering to multiple surface fractals as micro-cracking reduces the size of diffusion-limited subzones of the matrix. Across the reaction front of plagioclase in the quartz diorite, the specific surface area and porosity change very little until the point where the rock disaggregates into saprolite. The different patterns in porosity development of the two rocks are attributed to advective infiltration plus diffusion in the rock that spheroidally fractures versus diffusion-only in the rock that does not. Fracturing apparently diminishes the size of the diffusion-limited parts of the spheroidally weathering rock system to promote infiltration of meteoric fluids, therefore explaining the faster weathering advance rate into that rock. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Navarre-Sitchler, Alexis K.] Colorado Sch Mines, Golden, CO 80401 USA. [Navarre-Sitchler, Alexis K.; Jin, Lixin; Brantley, Susan L.] Penn State Univ, Ctr Environm Kinet Anal, Earth & Environm Syst Inst, University Pk, PA 16802 USA. [Cole, David R.] Ohio State Univ, Dept Earth Sci, Columbus, OH 43210 USA. [Rother, Gernot] Oak Ridge Natl Lab, Geochem & Interfacial Sci Grp, Div Chem Sci, Oak Ridge, TN USA. [Jin, Lixin] Univ Texas El Paso, Dept Geol Sci, El Paso, TX 79968 USA. [Buss, Heather L.] Univ Bristol, Sch Earth Sci, Bristol BS8 1TH, Avon, England. RP Navarre-Sitchler, AK (reprint author), Colorado Sch Mines, Golden, CO 80401 USA. EM asitchle@mines.edu RI Rother, Gernot/B-7281-2008; Buss, Heather/M-1693-2013; Navarre-Sitchler, Alexis/J-3389-2014 OI Rother, Gernot/0000-0003-4921-6294; FU NSF [CHE-0431328, EAR-0722476]; DOE [DE-FG02-05ER15675]; Basic Energy Sciences Energy Frontier Research Center; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; UT-Battelle, LLC for the U.S. Department of Energy [DE-AC05-00OR22725]; National Institute of Standards and Technology; U.S. Department of Commerce; Luquillo Critical Zone Observatory FX S.L.B. acknowledges NSF CHE-0431328 and DOE DE-FG02-05ER15675; D.R.C. acknowledges support from the Basic Energy Sciences Energy Frontier Research Center "Nanoscale Control of Geologic CO2". G.R. acknowledges support from the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract DE-AC05-00OR22725. D. Mildner, A. Jackson and the National Institute of Standards and Technology, U.S. Department of Commerce, are acknowledged for neutron beam support and facilities. Anonymous reviewers are acknowledged for their thoughtful and very helpful comments on an earlier version of this manuscript. H. Buss acknowledges support from the Luquillo Critical Zone Observatory and funding from NSF EAR-0722476 to F. Scatena (Univ. of Pennsylvania). We thank Jorgen Rosenqvist for performing BET analysis on the basaltic andesite samples at Oak Ridge National Laboratory. NR 44 TC 24 Z9 24 U1 1 U2 108 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD MAY 15 PY 2013 VL 109 BP 400 EP 413 DI 10.1016/j.gca.2013.02.012 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 121UJ UT WOS:000317269600027 ER PT J AU Li, JH Liu, ZF Tu, YM Ho, ST Jung, IW Ocola, LE Wessels, BW AF Li, Jianheng Liu, Zhifu Tu, Yongming Ho, Seng-Tiong Jung, Il Woong Ocola, Leonidas E. Wessels, Bruce W. TI Photonic Crystal Waveguide Electro-Optic Modulator With a Wide Bandwidth SO JOURNAL OF LIGHTWAVE TECHNOLOGY LA English DT Article DE Electro-optical devices; photonic crystals; waveguide modulators ID MOLECULAR-BEAM EPITAXY; TITANATE THIN-FILM; BARIUM-TITANATE; BATIO3; SILICON; GHZ; VOLTAGE; OPTICS; GROWTH; LIGHT AB Future optical systems will require electro-optic (EO) modulators with bandwidths of 100 GHz. For high-speed modulation, a photonic crystal (PhC) waveguide modulator using a ferroelectric thin film has been proposed. Here we report on the design, fabrication and properties of optical intensity modulator and its microwave frequency dependence. The 1.5 mm long BaTiO3 PhC modulator has a figure-of-merit of 2.1 V.cm drive voltage-length product, >50 GHz 3 dB bandwidth at an operating wavelength of 1560 nm. C1 [Li, Jianheng; Liu, Zhifu; Wessels, Bruce W.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Tu, Yongming; Ho, Seng-Tiong] Northwestern Univ, Dept Elect Engn & Comp Sci, Evanston, IL 60208 USA. [Jung, Il Woong; Ocola, Leonidas E.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Li, JH (reprint author), Air Prod & Chem, Allentown, PA 18031 USA. EM jhleemiter@gmail.com; zhifu-liu@northwestern.edu; ymtu@u.northwestern.edu; sth@ece.northwestern.edu; ijung@anl.gov; ocola@anl.gov; b-wessels@northwestern.edu RI Ho, Seng-Tiong/B-7172-2009; Wessels, Bruce/B-7541-2009; Liu, Zhifu/C-6467-2011 FU National Science Foundation [ECCS-0801684, ECCS-1201853, DE-AC02-06CH11357, DMR-0960120]; NSF-DMR at the Materials Research Center of Northwestern University [DMR-1121262] FX Manuscript received October 05, 2012; revised February 25, 2013; accepted March 12, 2013. Date of publication March 28, 2013; date of current version April 10, 2013. This work was supported by the National Science Foundation through Grants ECCS-0801684 and ECCS-1201853. This work made use of the Materials Processing and Microfabrication Facility supported by the supported by the NSF-DMR (DMR-1121262) at the Materials Research Center of Northwestern University. Use of the Center for Nanoscale Materials was supported by the National Science Foundation, under Contract No. DE-AC02-06CH11357. High-speed measurements were undertaken using Northwestern University Physics Instrumentation and Fabrication Facilities, supported by National Science Foundation under Award No. DMR-0960120. NR 32 TC 10 Z9 10 U1 0 U2 63 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0733-8724 J9 J LIGHTWAVE TECHNOL JI J. Lightwave Technol. PD MAY 15 PY 2013 VL 31 IS 10 BP 1601 EP 1607 DI 10.1109/JLT.2013.2255025 PG 7 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA 122ZO UT WOS:000317357800003 ER PT J AU Minard, KR Littke, MH Wang, W Xiong, YJ Teeguarden, JG Thrall, BD AF Minard, Kevin R. Littke, Matthew H. Wang, Wei Xiong, Yijia Teeguarden, Justin G. Thrall, Brian D. TI Magnetic particle detection (MPD) for in-vitro dosimetry SO BIOSENSORS & BIOELECTRONICS LA English DT Article DE Magnetic nanoparticle; Detector; In-vitro; Dosimetry ID IRON-OXIDE NANOPARTICLES; MACROPHAGE SCAVENGER RECEPTOR; SOLENOIDAL MICROCOIL DESIGN; SUPERPARAMAGNETIC NANOPARTICLES; FERROMAGNETIC-RESONANCE; BIOMEDICAL APPLICATIONS; FREQUENCY; TOXICITY; CELLS; FUNCTIONALIZATION AB In-vitro tests intended for evaluating the potential health effects of magnetic nanoparticles generally require an accurate measure of cell dose to promote the consistent use and interpretation of biological response. Here, a simple low-cost inductive sensor is developed for quickly determining the total mass of magnetic nanoparticles that is bound to the plasma membrane and internalized by cultured cells. Sensor operation exploits an oscillating magnetic field (f(0)=250 kHz) together with the nonlinear response of particle magnetization to generate a harmonic signal (f(3)=750 kHz) that varies linearly with particulate mass (R-2 > 0.999) and is sufficiently sensitive for detecting similar to 100 ng of carboxyl-coated iron-oxide nanoparticles in under a second. When exploited for measuring receptor-mediated nanoparticle uptake in RAW 264.7 macrophages, results show that the achieved dosimetric performance is comparable with relatively expensive analytical techniques that are much more time-consuming and labor-intensive to perform. The described sensing is therefore potentially better suited for low-cost in-vitro assays that require fast and quantitative magnetic particle detection. (c) 2013 Elsevier B.V. All rights reserved. C1 [Minard, Kevin R.; Littke, Matthew H.; Xiong, Yijia; Teeguarden, Justin G.; Thrall, Brian D.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wang, Wei] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Minard, Kevin R.; Wang, Wei; Teeguarden, Justin G.; Thrall, Brian D.] Battelle Ctr Fundamental & Appl Syst Toxicol B FA, Columbus, OH 43201 USA. RP Minard, KR (reprint author), Pacific NW Natl Lab, POB 999,MSIN P7-58, Richland, WA 99352 USA. EM kevin.minard@pnnl.gov RI Wang, Wei/B-5924-2012; OI Teeguarden, Justin/0000-0003-3817-4391 FU National Institutes of Health [R21 EB008192]; Independent Research 82 Development (IR82D) program at Pacific Northwest National Laboratory; Battelle Center for Fundamental and Applied Systems Toxicology (B-FAST); NIH grant [U19 ES019544] FX Magnetic particle detection (MPD) was developed with financial support from the National Institutes of Health (R21 EB008192) and the Independent Research 82 Development (IR82D) program at Pacific Northwest National Laboratory. In-vitro applications were supported by the Battelle Center for Fundamental and Applied Systems Toxicology (B-FAST) as well as NIH grant U19 ES019544. NR 38 TC 7 Z9 7 U1 0 U2 41 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0956-5663 J9 BIOSENS BIOELECTRON JI Biosens. Bioelectron. PD MAY 15 PY 2013 VL 43 BP 88 EP 93 DI 10.1016/j.bios.2012.12.011 PG 6 WC Biophysics; Biotechnology & Applied Microbiology; Chemistry, Analytical; Electrochemistry; Nanoscience & Nanotechnology SC Biophysics; Biotechnology & Applied Microbiology; Chemistry; Electrochemistry; Science & Technology - Other Topics GA 111ML UT WOS:000316525300016 PM 23287653 ER PT J AU Zhao, KG Valle, D Popescu, S Zhang, XS Mallick, B AF Zhao, Kaiguang Valle, Denis Popescu, Sorin Zhang, Xuesong Mallick, Bani TI Hyperspectral remote sensing of plant biochemistry using Bayesian model averaging with variable and band selection SO REMOTE SENSING OF ENVIRONMENT LA English DT Article DE Hyperspectral; Plant biochemistry; Leaf pigment; Chlorophyll; Carotenoid; Nitrogen; Carbon; Band selection; Bayesian model averaging; MCMC; Model misspecification; Model selection; Model uncertainty ID GAUSSIAN PROCESS REGRESSION; PHOTOCHEMICAL REFLECTANCE INDEX; LEAF CHLOROPHYLL CONTENT; SPECTROSCOPIC CALIBRATION; IMAGING SPECTROSCOPY; SPECTRAL REFLECTANCE; LINEAR-REGRESSION; TROPICAL FORESTS; CANOPY NITROGEN; VEGETATION AB Model specification remains challenging in spectroscopy of plant biochemistry, as exemplified by the availability of various spectral indices or band combinations for estimating the same biochemical. This lack of consensus in model choice across applications argues for a paradigm shift in hyperspectral methods to address model uncertainty and misspecification. We demonstrated one such method using Bayesian model averaging (BMA), which performs variable/band selection and quantifies the relative merits of many candidate models to synthesize a weighted average model with improved predictive performances. The utility of BMA was examined using a portfolio of 27 foliage spectral-chemical datasets representing over 80 species across the globe to estimate multiple biochemical properties, including nitrogen, hydrogen, carbon, cellulose, lignin, chlorophyll (a or b), carotenoid, polar and nonpolar extractives, leaf mass per area, and equivalent water thickness. We also compared BMA with partial least squares (PLS) and stepwise multiple regression (SMR). Results showed that all the biochemicals except carotenoid were accurately estimated from hyerspectral data with R-2 values >0.80. Compared to PLS and SMR, BMA substantially reduced overfitting and enhanced model generalization; BMA also yielded error estimation better indicative of true uncertainties in predictions, when evaluated using a statistic called "prediction interval coverage probability". The relative band importance, which was quantified by band selection probability, differed markedly between BMA and SMR, cautioning the use of SMR for band selection. Computationally, the model calibration with datasets of moderate sizes (>100) was faster for BMA via a hybrid reversible-jump Monte Carlo Markov Chain sampler than for PLS via literal optimization of a cross-validation criterion. Our BMA scheme also provides a generic hierarchical Bayesian framework to assimilate prior knowledge of diverse forms, as illustrated by its use to account for nonlinearity in spectral-chemical relationships. We emphasize that BMA is a competitive, paradigm-shifting alternative to conventional statistical methods and it will find wide use as the virtue of Bayesian inference is increasingly appreciated by the remote sensing community. (C) 2013 Elsevier Inc. All rights reserved. C1 [Zhao, Kaiguang] Duke Univ, Ctr Global Change, Durham, NC 27708 USA. [Zhao, Kaiguang; Valle, Denis] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA. [Popescu, Sorin] Texas A&M Univ, Dept Ecosyst Sci & Management, College Stn, TX USA. [Zhang, Xuesong] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA. [Zhang, Xuesong] Univ Maryland, College Pk, MD 20742 USA. [Mallick, Bani] Texas A&M Univ, Dept Stat, College Stn, TX 77843 USA. RP Zhao, KG (reprint author), Duke Univ, Ctr Global Change, Durham, NC 27708 USA. EM lidar.rs@gmail.com RI zhang, xuesong/B-7907-2009; Zhao, Kaiguang/D-1172-2010; Popescu, Sorin/D-5981-2015 OI Popescu, Sorin/0000-0002-8155-8801 FU DOE; NASA [NNH12AU03I] FX Financial support to Kaiguang Zhao for this research came from a grant from the DOE-funded National Institute for Climate Change Research at Duke University to Rob Jackson. Xuesong Zhang received financial support from NASA under contract no. NNH12AU03I. We express our sincere gratitude to two anonymous reviewers for their insightful comments. We are also indebted to Dr. Anatoly Gitelson at the University of Nebraska-Lincoln who generously shared his maize and maple spectral-chemical data. Our Matlab code of the Bayesian model was a modified implementation of the algorithms for the book "Bayesian methods for nonlinear classification and regression" coauthored by Bani Mallick. Readers may request the Matlab code of this work from the primary author at lidar.rs@gmail.com. NR 55 TC 23 Z9 27 U1 7 U2 123 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0034-4257 EI 1879-0704 J9 REMOTE SENS ENVIRON JI Remote Sens. Environ. PD MAY 15 PY 2013 VL 132 BP 102 EP 119 DI 10.1016/j.rse.2012.12.026 PG 18 WC Environmental Sciences; Remote Sensing; Imaging Science & Photographic Technology SC Environmental Sciences & Ecology; Remote Sensing; Imaging Science & Photographic Technology GA 115SE UT WOS:000316831400009 ER PT J AU Zheng, Z Li, N Wang, CQ Li, DY Meng, FY Zhu, YM Li, Q Wu, G AF Zheng, Zhen Li, Ning Wang, Chun-Qing Li, De-Yu Meng, Fan-Yu Zhu, Yong-Ming Li, Qing Wu, Gang TI Electrochemical synthesis of Ni-S/CeO2 composite electrodes for hydrogen evolution reaction SO JOURNAL OF POWER SOURCES LA English DT Article DE Nickel-sulfur/ceria; Composite electrode; Ceria particles; Hydrogen evolution reaction; Amorphous coating ID ALKALINE-MEDIUM; REACTION CATHODES; WATER ELECTROLYSIS; POWDER PARTICLES; NICKEL FOAM; ALLOY FILM; NI; COATINGS; SULFUR; DEPOSITS AB Ni-S/CeO2 electrodes have been prepared by a composite electrodeposition technique using nickel sulfaminate bath containing suspended micro- or nano-sized CeO2 particles. The composite electrodes exhibit a high activity for the hydrogen evolution reaction (HER) in alkaline solutions, most likely due to the synergistic effects between Ni and CeO2, as well as the increased surface area of the electrodes upon addition of CeO2 particles. It is found that the addition of CeO2 particles can lead to an increase of the sulphur content, resulting in more amorphous structures in the composite coatings. The Ni-S/micro-CeO2 composite electrode yields a higher HER activity than that measured with Ni-Sinano-CeO2 electrode, which is 2.2 times higher than that on the Ni-S coating. The relevant discussion was provided to elucidate the promotional roles of CeO2 particles in the composite electrodeposition process and corresponding HER activity. (C) 2012 Published by Elsevier B.V. C1 [Zheng, Zhen; Li, Ning; Li, De-Yu] Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Peoples R China. [Wang, Chun-Qing] Harbin Inst Technol, State Key Lab Adv Welding Prod Technol, Harbin 150001, Peoples R China. [Meng, Fan-Yu] Harbin Inst Technol, Sch Municipal & Environm Engn, Harbin 150090, Peoples R China. [Zhu, Yong-Ming] Harbin Inst Technol Weihai, Fac Appl Chem, Weihai 264209, Peoples R China. [Li, Qing; Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Li, N (reprint author), Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Peoples R China. EM lininghit@263.net RI Wu, Gang/E-8536-2010; Li, Qing/G-4502-2011; Wang, Chunqing/I-2588-2012 OI Wu, Gang/0000-0003-4956-5208; Li, Qing/0000-0003-4807-030X; Wang, Chunqing/0000-0001-5784-4608 NR 31 TC 13 Z9 15 U1 8 U2 163 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD MAY 15 PY 2013 VL 230 BP 10 EP 14 DI 10.1016/j.jpowsour.2012.12.043 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 099FF UT WOS:000315606000002 ER PT J AU Lin, CK Ren, Y Amine, K Qin, Y Chen, ZH AF Lin, Chi-Kai Ren, Yang Amine, Khalil Qin, Yan Chen, Zonghai TI In situ high-energy X-ray diffraction to study overcharge abuse of 18650-size lithium-ion battery SO JOURNAL OF POWER SOURCES LA English DT Article DE Overcharge abuse; In situ high-energy X-ray diffraction; Lithium-ion battery; Phase transition; LiNi0.8CO0.15Al0 05O2 cathode ID LITHIATED GRAPHITE; STRUCTURAL-CHANGES; THERMAL-STABILITY; CELL; BEHAVIOR; RUNAWAY; CATHODE; SAFETY; PHASE AB Overcharge is an aggressive abuse condition that can lead to thermal runaway of a lithium-ion cell. Understanding the failure mechanism due to overcharge is critical for designing safer lithium-ion chemistries. With the help of in situ high-energy X-ray diffraction (XRD), we are able to detect the temperature difference between the cathode and the anode during the overcharge abuse of 18650 cells. In this paper, the lattice constants of electrode current collectors (Al for the cathode and Cu for the anode) are calculated by fitting the XRD patterns, and the temperature variations of the cathode and anode are quantified by the thermal expansion of the Al and Cu foils. Based on these results, we report that during the overcharge abuse of an 18650-size cell, using graphite as the anode and LiNi0.8Co0.15Al0.05O2 as the cathode, the temperature of cathode increases as the voltage reaches 4.16 V, corresponding to the occurrence of the H2-to-H3 phase transition in the cathode material. (C) 2012 Elsevier B.V. All rights reserved. C1 [Lin, Chi-Kai; Amine, Khalil; Qin, Yan; Chen, Zonghai] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Lin, CK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chikai.moses.lin@gmail.com; ren@aps.anl.gov; amine@anl.gov; qin@anl.gov; zonghai.chen@anl.gov RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013; lin, chikai/D-4986-2014 FU U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office; U.S. Department of Energy by UChicago Argonne, LLC [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX Research at Argonne National Laboratory was funded by U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. The authors also acknowledge the use of the Advanced Photon Source of Argonne National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 33 TC 18 Z9 18 U1 10 U2 215 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD MAY 15 PY 2013 VL 230 BP 32 EP 37 DI 10.1016/j.jpowsour.2012.12.032 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 099FF UT WOS:000315606000005 ER PT J AU Pieczonka, NPW Liu, ZY Huq, A Kim, JH AF Pieczonka, Nicholas P. W. Liu, Zhongyi Huq, Ashfia Kim, Jung-Hyun TI Comparative study of LiMnPO4/C cathodes synthesized by polyol and solid-state reaction methods for Li-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Olivine; LiMnPO4; Solid-state reaction method; Polyol method; Carbon composite ID ELECTROCHEMICAL PERFORMANCE; HYDROTHERMAL SYNTHESIS; CARBON; MECHANISM; FE; CO AB A systematic comparison of LMP prepared by solid-state reaction (SSR) and polyol methods was carried out through detailed analyses that included: X-ray and neutron powder diffractions, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electrochemical characterization. The LMP synthesized by the two different methods had a similar amount of Li/Mn cation mixing, ca. 4-5%. The polyol method provided a flower-like morphology to the LMP particles, in the form of platelet of which growth direction is parallel to the bc-plane. The LMP prepared by the polyol method was further optimized by carbon composite using two different kinds of carbon sources: Shawinigan acetylene black (AB) and Super-P Li carbon black (SP). With the smallest crystallite size and a homogeneous carbon particle network, the LMP processed with SP delivered better cathode performance than both the AB - mixed LMP and that prepared by the SSR method. AC-impedance spectroscopy of the LMP composite with SP showed an abrupt increase in impedance after 50% delithiation. Because of this difficulty of charging, the capacity of the LMP composite with SP was strongly influenced by the upper cut-off voltage used. (C) 2012 Elsevier B.V. All rights reserved. C1 [Pieczonka, Nicholas P. W.; Kim, Jung-Hyun] Gen Motors Global R&D Ctr, Chem & Mat Syst Lab, Warren, MI 48090 USA. [Pieczonka, Nicholas P. W.] Optimal CAE Inc, Plymouth, MI 48170 USA. [Liu, Zhongyi] Gen Motors Global R&D Ctr, Electrochem Energy Res Lab, Warren, MI 48090 USA. [Huq, Ashfia] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Kim, JH (reprint author), Gen Motors Global R&D Ctr, Chem & Mat Syst Lab, Warren, MI 48090 USA. EM junghyun.kim@gm.com RI Kim, Jung-Hyun/I-5273-2013; Huq, Ashfia/J-8772-2013 OI Kim, Jung-Hyun/0000-0002-4598-4686; Huq, Ashfia/0000-0002-8445-9649 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors would like to thank Bob R. Powell of the Chemical & Materials Systems Laboratory and Mark F. Mathias of the Electrochemical Energy Research Laboratory for many helpful discussions. The authors would also like to thank Curtis Wong and Michael P. Balogh of the Chemical & Materials Systems Laboratory for taking the SEM and TEM images, respectively. The research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 23 TC 23 Z9 26 U1 5 U2 211 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD MAY 15 PY 2013 VL 230 BP 122 EP 129 DI 10.1016/j.jpowsour.2012.12.027 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 099FF UT WOS:000315606000019 ER PT J AU Alper, JP Kim, MS Vincent, M Hsia, B Radmilovic, V Carraro, C Maboudian, R AF Alper, John P. Kim, Mun Sek Vincent, Maxime Hsia, Ben Radmilovic, Velimir Carraro, Carlo Maboudian, Roya TI Silicon carbide nanowires as highly robust electrodes for micro-supercapacitors SO JOURNAL OF POWER SOURCES LA English DT Article DE Silicon carbide nanowires; Micro-supercapacitor; Aqueous electrolyte; Electrochemical energy storage AB The effectiveness of silicon carbide (SiC) nanowires (NW) as electrode material for micro-supercapacitors has been investigated. SiC NWs are grown on a SiC thin film coated with a thin Ni catalyst layer via a chemical vapor deposition route at 950 degrees C. A specific capacitance in the range of similar to 240 mu F cm(-2) is demonstrated, which is comparable to the values recently reported for planar micro-supercapacitor electrodes. Charge-discharge studies demonstrate the SiC nanowires exhibit exceptional stability, with 95% capacitance retention after 2 x 10(5) charge/discharge cycles in an environmentally benign, aqueous electrolyte. (C) 2013 Elsevier B.V. All rights reserved. C1 [Alper, John P.; Kim, Mun Sek; Vincent, Maxime; Hsia, Ben; Carraro, Carlo; Maboudian, Roya] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Vincent, Maxime; Hsia, Ben; Carraro, Carlo; Maboudian, Roya] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Radmilovic, Velimir] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Radmilovic, Velimir] Univ Belgrade, Fac Technol & Met, Nanotechnol & Funct Mat Lab, Belgrade 11120, Serbia. RP Maboudian, R (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, 106 Gilman Hall, Berkeley, CA 94707 USA. EM maboudia@berkeley.edu RI Alper, John/D-4270-2013; Foundry, Molecular/G-9968-2014 FU DARPA ST Center; CIEMS; Siemens CKI program; National Science Foundation through the Center of Integrated Nanomechanical Systems [DMR-1207053, EEC-0832819]; Direction Generale de l'Armement (DGA); National Science Foundation; U.S. Department of Energy [DE-AC02-05CH11231]; Nanotechnology and Functional Materials Center; European FP7 [245916]; Ministry of Education and Science of the Republic of Serbia [172054] FX The authors gratefully acknowledge the support of DARPA S&T Center, CIEMS, Siemens CKI program and National Science Foundation grants #DMR-1207053 and #EEC-0832819 (through the Center of Integrated Nanomechanical Systems). M. Vincent also thanks the "Direction Generale de l'Armement" (DGA) for a fellowship support, and B. Hsia acknowledges the support of a National Science Foundation Graduate Research Fellowship. Electron microscopy characterization has been performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, funded by the U.S. Department of Energy under Contract DE-AC02-05CH11231. VRR acknowledges support of Nanotechnology and Functional Materials Center, funded by the European FP7 project no. 245916, and support from the Ministry of Education and Science of the Republic of Serbia, under project no. 172054. NR 20 TC 58 Z9 58 U1 17 U2 173 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD MAY 15 PY 2013 VL 230 BP 298 EP 302 DI 10.1016/j.jpowsour.2012.12.085 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 099FF UT WOS:000315606000043 ER PT J AU Yan, XQ Wang, XJ Tang, Y Ma, GC Zou, SH Li, RH Peng, XG Dai, S Fan, J AF Yan, Xiaoqing Wang, Xiaojuan Tang, Yu Ma, Guicen Zou, Shihui Li, Renhong Peng, Xiaogang Dai, Sheng Fan, Jie TI Unusual Loading-Dependent Sintering-Resistant Properties of Gold Nanoparticles Supported within Extra-large Mesopores SO CHEMISTRY OF MATERIALS LA English DT Article DE gold nanoparticle; mesoporous silica; antisintering property; interparticle interaction ID SILICA; CATALYSTS; NANOCRYSTALS; N2O AB Unexpected, excellent antisintering property of highly loaded AuNPs is observed when extra-large mesoporous silica EP-FDU-12 (cage size >25 nm) is used as the supports. The average particle size of the entrapped AuNPs after 550 degrees C calcination approaches 25.6 +/- 5.2 nm at the gold loading amount of 5.0 wt %, but it greatly reduces into only 5.6 +/- 1.2 nm as the metal loading reaches up to 26.1 wt %. It is demonstrated that the unique three-dimensional porous structure of EP-FDU-12 makes particle-migration difficult to occur and thus prevents direct particle particle aggregation. This further allows two or more AuNPs to be encapsulated in every extra-large cage at high particle concentrations (10-35 wt %), which enables interparticle interactions via significant overlapping of the diffusion-spheres of AuNPs. As a result, atommigration via vapor from cage to cage is largely shut off and local vapor-particle equilibrium within each cage is possible, leading to a successful stable AuNPs/mesoporous silica system. C1 [Yan, Xiaoqing; Wang, Xiaojuan; Tang, Yu; Ma, Guicen; Zou, Shihui; Li, Renhong; Peng, Xiaogang; Fan, Jie] Zhejiang Univ, Dept Chem, Key Lab Appl Chem Zhejiang Prov, Ctr Chem High Performance & Novel Mat, Hangzhou 310027, Zhejiang Provin, Peoples R China. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Fan, J (reprint author), Zhejiang Univ, Dept Chem, Key Lab Appl Chem Zhejiang Prov, Ctr Chem High Performance & Novel Mat, Hangzhou 310027, Zhejiang Provin, Peoples R China. EM jfan@zju.edu.cn RI Fan, Jie/B-3740-2008; Li, Renhong/G-7778-2016; Zou, Shihui/H-9607-2012; Dai, Sheng/K-8411-2015; peng, xiaogang/R-6184-2016 OI Fan, Jie/0000-0002-8380-6338; Li, Renhong/0000-0002-8327-5506; Zou, Shihui/0000-0001-5564-4151; Dai, Sheng/0000-0002-8046-3931; peng, xiaogang/0000-0002-5606-8472 FU National Science Foundation of China [20873122, 21222307, 21003106]; Fok Ying Tung Education Foundation [131015]; Fundamental Research Funds for the Central Universities [2012QNA3014] FX This work was supported by the National Science Foundation of China (20873122, 21222307 and 21003106), Fok Ying Tung Education Foundation (131015), and the Fundamental Research Funds for the Central Universities (2012QNA3014). We acknowledge helpful discussions with T. Wu, and thank Z. Ma and H. F. Yin for STEM measurement. NR 32 TC 23 Z9 23 U1 7 U2 129 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 14 PY 2013 VL 25 IS 9 BP 1556 EP 1563 DI 10.1021/cm303816g PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 147RL UT WOS:000319184600014 ER PT J AU Lucas, JM Tuan, CC Lounis, SD Britt, DK Qiao, RM Yang, W Lanzara, A Alivisatos, AP AF Lucas, J. Matthew Tuan, Chia-Chi Lounis, Sebastien D. Britt, David K. Qiao, Ruimin Yang, Wanli Lanzara, Alessandra Alivisatos, A. Paul TI Ligand-Controlled Colloidal Synthesis and Electronic Structure Characterization of Cubic Iron Pyrite (FeS2) Nanocrystals SO CHEMISTRY OF MATERIALS LA English DT Article DE photovoltaics; iron pyrite; FeS2; nanocrystal; resonant inelastic X-ray spectroscopy; X-ray absorption ID SELF-ASSEMBLED MONOLAYERS; X-RAY-SCATTERING; MONODISPERSED COLLOIDS; PHOTOVOLTAIC APPLICATION; OXIDE NANOPARTICLES; NANOSIZE PRECURSORS; THIN-FILMS; PHASE; AGGREGATION; DISPERSIONS AB Iron pyrite (FeS2) is a promising photovoltaic absorber because of its Earth abundance, high optical extinction, and infrared band gap (E-g=0.95 eV), but its use has been hindered because of the difficulty of phase pure synthesis. Pyrite phase purity is a paramount concern, as other phases of iron sulfide have undesirable electronic properties. Here we report the synthesis of phase pure iron pyrite nanocrystals with cubic morphology and a mean dimension of 80 nm. Control over the nanocrystal shape was achieved using an unusual ligand, 1-hexadecanesulfonate. The particles were characterized via synchrotron X-ray spectroscopy, indicating an indirect band gap of 1.00 +/- 0.11 eV and a valence bandwidth of nearly 1 eV. Transmission electron microscopy from early reaction stages suggests a nucleation and growth mechanism similar to solution precipitation syntheses typical of metal oxide nanocrystals, rather than the diffusion-limited growth process typical of hot-injection metal chalcogenide nanocrystal syntheses. C1 [Lucas, J. Matthew] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Tuan, Chia-Chi; Britt, David K.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Lounis, Sebastien D.] Univ Calif Berkeley, Grad Grp Appl Sci & Technol, Berkeley, CA 94720 USA. [Qiao, Ruimin; Yang, Wanli] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Lanzara, Alessandra] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Lanzara, Alessandra; Alivisatos, A. Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd,Mail Stop 50A4119, Berkeley, CA 94720 USA. EM alivis@berkeley.edu RI Britt, David/D-4675-2009; Qiao, Ruimin/E-9023-2013; Yang, Wanli/D-7183-2011; Foundry, Molecular/G-9968-2014; Alivisatos , Paul /N-8863-2015 OI Yang, Wanli/0000-0003-0666-8063; Alivisatos , Paul /0000-0001-6895-9048 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [396 DE-AC02-05CH11231]; Light-Material Interactions in Energy Conversion, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001293]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Innovation Seed Fund in Energy and Climate Research at the University of California (Berkeley, CA) FX J.M.L. thanks Marcus Scheele, Emory Chan, Haimei Zheng, Christian Kisielowski, and David Grauer for helpful discussions. Work at the Molecular Foundry and Advanced Light Source at Lawrence Berkeley National Laboratory, was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract 396 DE-AC02-05CH11231. J.M.L. is supported as part of the Light-Material Interactions in Energy Conversion, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-SC0001293. S.D.L. is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract DE-AC02-05CH11231 and by the Innovation Seed Fund in Energy and Climate Research at the University of California (Berkeley, CA). NR 46 TC 39 Z9 39 U1 11 U2 175 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 14 PY 2013 VL 25 IS 9 BP 1615 EP 1620 DI 10.1021/cm304152b PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 147RL UT WOS:000319184600021 ER PT J AU Fell, CR Qian, DN Carroll, KJ Chi, MF Jones, JL Meng, YS AF Fell, Christopher R. Qian, Danna Carroll, Kyler J. Chi, Miaofang Jones, Jacob L. Meng, Ying Shirley TI Correlation Between Oxygen Vacancy, Microstrain, and Cation Distribution in Lithium-Excess Layered Oxides During the First Electrochemical Cycle SO CHEMISTRY OF MATERIALS LA English DT Article DE lithium ion batteries; lithium-excess layered oxide; cathode materials; oxygen vacancy; microstrain ID YTTRIA-STABILIZED ZIRCONIA; ELECTRON-MICROSCOPY; POWDER DIFFRACTION; MATERIALS SCIENCE; MANGANESE OXIDES; CATHODE MATERIAL; LOCAL-STRUCTURE; ION BATTERIES; HIGH-VOLTAGE; STRAIN AB Dynamic structural changes during the first electrochemical charge and discharge cycle in the Li-excess layered oxide compound, Li[Li1/5Ni1/5Mn3/5]O-2, are studied with synchrotron X-ray diffraction (SXRD), aberration corrected scanning transmission electron microscopy (a-S/TEM), and electron energy loss spectroscopy (EELS). At different states of charge, we carefully examined the crystal structures and electronic structures within the bulk and have found that increased microstrain is accompanied with the cation migration and a second phase formation which occurs during the first cycle voltage plateau as well as into the beginning of the discharge cycle. The evidence indicates that the oxygen vacancy formation and activation may facilitate cation migration and results in the formation of a second phase. The EELS results reveal a Mn valence change from 4+ to 3+ upon oxygen vacancy formation and recovers back to 4+ at the discharge. The oxygen vacancy formation and activation at the partially delithiated state leads to the generation of several crystal defects which are observed in TEM. Identification of the correlation between microstrain and oxygen vacancy formation during the first electrochemical cycle clarifies the complex intercalation mechanisms that accounts for the anomalous capacities exceeding 200 mAh/g in the Li-excess layered oxide compounds. C1 [Fell, Christopher R.; Jones, Jacob L.; Meng, Ying Shirley] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Qian, Danna; Carroll, Kyler J.; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92037 USA. RP Meng, YS (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM shirleymeng@ucsd.edu RI Meng, Shirley /I-1276-2013; Qian, Danna/H-6580-2015; Chi, Miaofang/Q-2489-2015 OI Chi, Miaofang/0000-0003-0764-1567 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; Batteries for Advanced Transportation Technologies (BATT) Program [7056412]; Florida Energy System Consortium through University of Florida [80859]; Office of Basic Energy Sciences, U.S. Department of Energy; [GUP-13210] FX UCSD work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, Subcontract No. 7056412 under the Batteries for Advanced Transportation Technologies (BATT) Program. C.R.F. acknowledges the financial support from Florida Energy System Consortium through University of Florida under Award No. 80859. D.Q. would like to acknowledge Dr. Huolin Xin for providing the scripts for L3/L2 analysis. The synchrotron X-ray diffraction patterns were collected at Argonne National Laboratory on beamline 11-BM through the general user proposal mail-in program (GUP-13210). a-S/TEM and EELS analysis is carried out at the ORNL Shared Research Equipment (SHaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. The authors acknowledge Dr. Gabriel Veith and Dr. Nancy Dudney for assistance and Dr. Bo Xu and Dr. M. Yang for their valuable discussions. NR 47 TC 67 Z9 67 U1 6 U2 145 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 14 PY 2013 VL 25 IS 9 BP 1621 EP 1629 DI 10.1021/cm4000119 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 147RL UT WOS:000319184600022 ER PT J AU Zhu, YL Long, H Zhang, W AF Zhu, Youlong Long, Hai Zhang, Wei TI Imine-Linked Porous Polymer Frameworks with High Small Gas (H-2, CO2, CH4, C2H2) Uptake and CO2/N-2 Selectivity SO CHEMISTRY OF MATERIALS LA English DT Article DE Schiff-base chemistry; organic porous polymer; small gas uptake; adsorption selectivity ID COVALENT ORGANIC FRAMEWORKS; TRIAZINE-BASED FRAMEWORKS; SCHIFF-BASE CHEMISTRY; SURFACE-AREA; HYDROGEN STORAGE; CARBON-DIOXIDE; NETWORKS; ADSORPTION; CRYSTALLINE; CONSTRUCTION AB A series of novel porous polymer frameworks (PPFs) with [3 + 4] structure motif have been synthesized from readily accessible building blocks via imine condensation, and the dependence of gas adsorption properties on the building block dimensions and functionalities was studied. The resulting imine-linked frameworks exhibit high surface area: the Brunauer-Emmett-Teller (BET) specific surface area up to 1740 m(2) g(-1), and a Langmuir surface area up to 2157 m(2) g(-1). More importantly, the porous frameworks exhibit outstanding H-2 (up to 2.75 wt 96, 77 K, 1 bar), CO2 (up to 26.7 wt %, 273 K, 1 bar), CH4 (up to 2.43 wt %, 273 K, 1 bar), and C2H2 (up to 17.9 wt %, 273 K, 1 bar) uptake, which are among the highest reported for organic porous materials. PPFs exhibit good ideal selectivities for CO2/N-2 (14.5/1-20.4/1), and CO2/CH4 adsorption (8.6/1-11.0/1), and high thermal stabilities (up to 500 degrees C), thus showing a great potential in gas storage and separation applications. C1 [Zhu, Youlong; Zhang, Wei] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Long, Hai] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Zhang, W (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA. EM wei.zhang@colorado.edu RI Zhu, Youlong/I-3761-2014; Long, Hai/C-5838-2015 FU National Science Foundation [IIP-1230142]; MAST center; 3M Non-Tenured Faculty Award; Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy [DE-AC36-08GO28308] FX The authors thank National Science Foundation (IIP-1230142), the MAST center, and 3M Non-Tenured Faculty Award for financial support, Dr. Bret A. Voss for XRD and TGA measurements, Dr. Richard Shoemaker for his assistance in solid-state NMR experiments, and Dr. Yinghua (Alice) Jin for her help with SEM characterization and manuscript preparation. This research used capabilities of the National Renewable Energy Laboratory Computational Sciences Center, which is supported by the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. NR 48 TC 157 Z9 158 U1 16 U2 216 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 14 PY 2013 VL 25 IS 9 BP 1630 EP 1635 DI 10.1021/cm400019f PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 147RL UT WOS:000319184600023 ER PT J AU Boesenberg, U Meirer, F Liu, YJ Shukla, AK Dell'Anna, R Tyliszczak, T Chen, GY Andrews, JC Richardson, TJ Kostecki, R Cabana, J AF Boesenberg, Ulrike Meirer, Florian Liu, Yijin Shukla, Alpesh K. Dell'Anna, Rossana Tyliszczak, Tolek Chen, Guoying Andrews, Joy C. Richardson, Thomas J. Kostecki, Robert Cabana, Jordi TI Mesoscale Phase Distribution in Single Particles of LiFePO4 following Lithium Deintercalation SO CHEMISTRY OF MATERIALS LA English DT Article DE intercalation reactions; chemical imaging battery electrode materials; LiFePO4 ID X-RAY MICROSCOPY; ENERGY-LOSS SPECTROSCOPY; ADVANCED LIGHT-SOURCE; DOMINO-CASCADE MODEL; IN-SITU; CATHODE MATERIALS; COHERENCY STRAIN; MISCIBILITY GAP; SOLID-SOLUTION; BATTERIES AB The chemical phase distribution in hydrothermally grown micrometric single crystals of LiFePO4 following partial chemical delithiation was investigated. Full field and scanning X-ray microscopy were combined with X-ray absorption spectroscopy at the Fe and O K-edges, respectively, to produce maps with high chemical and spatial resolution. The resulting information was compared to morphological insight into the mechanics of the transformation by scanning transmission electron microscopy. This study revealed the interplay at the mesocale between microstructure and phase distribution during the redox process, as morphological defects were found to kinetically determine the progress of the reaction. Lithium deintercalation was also found to induce severe mechanical damage in the crystals, presumably due to the lattice mismatch between LiFePO4 and FePO4. Our results lead to the conclusion that rational design of intercalation-based electrode materials, such as LiFePO4, with optimized utilization and life requires the tailoring of particles that minimize kinetic barriers and mechanical strain. Coupling TXM-XANES with TEM can provide unique insight into the behavior of electrode materials during operation, at scales spanning from nanoparticles to ensembles and complex architectures. C1 [Boesenberg, Ulrike; Shukla, Alpesh K.; Chen, Guoying; Richardson, Thomas J.; Kostecki, Robert; Cabana, Jordi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Meirer, Florian; Dell'Anna, Rossana] Fdn Bruno Kessler, Ctr Mat & Microsyst, I-38050 Trento, Italy. [Liu, Yijin; Andrews, Joy C.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Tyliszczak, Tolek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Cabana, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jcabana@lbl.gov RI Cabana, Jordi/G-6548-2012; Dell'Anna, Rossana/S-3373-2016; Liu, Yijin/O-2640-2013; Meirer, Florian/H-7642-2016 OI Cabana, Jordi/0000-0002-2353-5986; Dell'Anna, Rossana/0000-0001-7147-6127; Liu, Yijin/0000-0002-8417-2488; Meirer, Florian/0000-0001-5581-5790 FU Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001294]; Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; BATT program; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Institutes of Health (NIH)/National Institute of Biomedical Imaging and Bioengineering (NIBIB) [5R01EB004321] FX The authors thank Ivan T. Lucas and Jaroslaw Syzdek (LBNL) for valuable discussions. This work was supported as part of the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001294. Seed funding that initiated the FF TXM work was provided by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) program. The TEM portion of this work was also supported by the BATT program and performed at the National Center for Electron Microscopy, which is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC02-05CH11231. The STXM portion of this research was carried out at the Advanced Light Source, which is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. The FF TXM portion of this research was carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University, CA. The FF TXM was supported by National Institutes of Health (NIH)/National Institute of Biomedical Imaging and Bioengineering (NIBIB) Grant 5R01EB004321. NR 70 TC 47 Z9 47 U1 11 U2 139 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 14 PY 2013 VL 25 IS 9 BP 1664 EP 1672 DI 10.1021/cm400106k PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 147RL UT WOS:000319184600028 PM 23745016 ER PT J AU Morelock, CR Greve, BK Cetinkol, M Chapman, KW Chupas, PJ Wilkinson, AP AF Morelock, Cody R. Greve, Benjamin K. Cetinkol, Mehmet Chapman, Karena W. Chupas, Peter J. Wilkinson, Angus P. TI Role of Anion Site Disorder in the Near Zero Thermal Expansion of Tantalum Oxyfluoride SO CHEMISTRY OF MATERIALS LA English DT Article DE anion site disorder; tantalum oxyfluoride; near zero thermal expansion; pair distribution functions ID CUBIC PHASE-TRANSITION; HIGH-TEMPERATURE; HIGH-PRESSURE; PEROVSKITE; DIFFRACTION; ALPHA-ALF3; MECHANISM; TAO2F; NBO2F; TIF3 AB Materials with the cubic ReO3-type structure are, in principle, excellent candidates for negative thermal expansion (NTE). However, many such materials, including TaO2F, do not display NTE. It is proposed that local distortions away from the ideal structure, associated with the need to accommodate the different bonding requirements of the disordered O/F, contribute to the occurrence of near zero thermal expansion rather than NTE. The local structure of TaO2F is poorly described by an ideal cubic ReO3-type model with O and F randomly distributed over the available anion sites. A supercell model featuring -Ta-O-Ta-O-Ta-F- chains along < 1 0 0 >, with different Ta-O and Ta-F distances and O/F off axis displacements, gives much better agreement with pair distribution functions (PDFs) derived from total X-ray scattering data for small separations (<8 angstrom). Analyses of PDFs derived from variable temperature measurements (80 to 487 K), over different length scales, indicate an average linear expansion coefficient of close to zero with similar contributions from the geometrically distinct Ta-O-Ta and Ta-F-Ta links in TaO2F. C1 [Morelock, Cody R.; Greve, Benjamin K.; Cetinkol, Mehmet; Wilkinson, Angus P.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Wilkinson, Angus P.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Wilkinson, AP (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM angus.wilkinson@chemistry.gatech.edu RI Morelock, Cody/C-2831-2012; Wilkinson, Angus/C-3408-2008 OI Wilkinson, Angus/0000-0003-2904-400X FU National Science Foundation [DMR-0605671, DMR-0905842]; United States Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX A.P.W. is grateful for support from the National Science Foundation under Grants DMR-0605671 and DMR-0905842. Use of the Advanced Photon Source (APS) at Argonne National Laboratory was supported by the United States Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors are grateful for G. J. Halder's assistance in collecting the total scattering data. NR 48 TC 13 Z9 14 U1 11 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 14 PY 2013 VL 25 IS 9 BP 1900 EP 1904 DI 10.1021/cm400536n PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 147RL UT WOS:000319184600058 ER PT J AU Beaini, SS Kronawitter, CX Carey, VP Mao, SS AF Beaini, Sara S. Kronawitter, Coleman X. Carey, Van P. Mao, Samuel S. TI ZnO deposition on metal substrates: Relating fabrication, morphology, and wettability SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SUPERHYDROPHOBIC SURFACES; THIN-FILMS; OXIDE; TRANSITIONS; CONVERSION AB It is not common practice to deposit thin films on metal substrates, especially copper, which is a common heat exchanger metal and practical engineering material known for its heat transfer properties. While single crystal substrates offer ideal surfaces with uniform structure for compatibility with oxide deposition, metallic surfaces needed for industrial applications exhibit non-idealities that complicate the fabrication of oxide nanostructure arrays. The following study explored different ZnO fabrication techniques to deposit a (super) hydrophobic thin film of ZnO on a metal substrate, specifically copper, in order to explore its feasibility as an enhanced condensing surface. ZnO was selected for its non-toxicity, ability to be made (super) hydrophobic with hierarchical roughness, and its photoinduced hydrophilicity characteristic, which could be utilized to pattern it to have both hydrophobic-hydrophilic regions. We investigated the variation of ZnO's morphology and wetting state, using SEMs and sessile drop contact angle measurements, as a function of different fabrication techniques: sputtering, pulsed laser deposition (PLD), electrodeposition and annealing Zn. We successfully fabricated (super) hydrophobic ZnO on a mirror finish, commercially available copper substrate using the scalable electrodeposition technique. PLD for ZnO deposition did not prove viable, as the ZnO samples on metal substrates were hydrophilic and the process does not lend itself to scalability. The annealed Zn sheets did not exhibit consistent wetting state results. (C) 2013 AIP Publishing LLC. C1 [Beaini, Sara S.; Kronawitter, Coleman X.; Carey, Van P.; Mao, Samuel S.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Kronawitter, Coleman X.; Mao, Samuel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Beaini, SS (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM sbeaini@berkeley.edu; colemank@me.berkeley.edu; vcarey@me.berkeley.edu; ssmao@me.berkeley.edu FU UC Berkeley Haas Sustainable Products and Solutions Program; NSF/CMMI [1036076] FX The authors greatly appreciate support for this research from the UC Berkeley Haas Sustainable Products and Solutions Program and the NSF/CMMI under Grant #1036076. Special thanks to Dr. Sarah Felix, Dr. Vassilia Zorba, Dr. Lionel Vayssieres, and Dr. Shaohua Shen for their tremendous support with research discussions and training. NR 27 TC 0 Z9 0 U1 6 U2 69 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 184905 DI 10.1063/1.4803553 PG 10 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100100 ER PT J AU Choi, SG Gedvilas, LM Hwang, SY Kim, TJ Kim, YD Zuniga-Perez, J Sanjose, VM AF Choi, S. G. Gedvilas, L. M. Hwang, S. Y. Kim, T. J. Kim, Y. D. Zuniga-Perez, J. Munoz Sanjose, V. TI Temperature-dependent optical properties of epitaxial CdO thin films determined by spectroscopic ellipsometry and Raman scattering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID R-PLANE SAPPHIRE; DIELECTRIC FUNCTION; GAP; SEMICONDUCTORS AB We report temperature-dependent optical properties of epitaxial CdO thin films grown by metal-organic vapor phase epitaxy on sapphire substrates. Dielectric function epsilon = epsilon(1) + i epsilon(2) spectra for CdO were extracted from the multilayer modeling of ellipsometric data, using a set of Tauc-Lorentz oscillators from 0.74 to 6.43 eV in the temperature range between 24 and 650 K. Temperature dependence of the energy for the major optical structures in the e spectra was analyzed by using Varshni's approximation. Raman scattering (RS) spectroscopy was used to characterize the vibrational properties of CdO from 77 to 500 K. Several RS peaks were observed in the wavenumber range from 100 to 1000 cm(-1). Peak positions, accurately determined by a series of Gaussian-Lorentzian mixed line profiles, exhibit a weak linear dependence on temperature. (C) 2013 AIP Publishing LLC. C1 [Choi, S. G.; Gedvilas, L. M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Hwang, S. Y.; Kim, T. J.; Kim, Y. D.] Kyung Hee Univ, Dept Phys, Seoul 130701, South Korea. [Zuniga-Perez, J.; Munoz Sanjose, V.] Univ Valencia, Dept Fis Aplicada & Electromagnetismo, E-46100 Burjassot, Spain. RP Choi, SG (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM sukgeun.choi@nrel.gov RI Choi, Sukgeun/J-2345-2014; Munoz-Sanjose, Vicente/L-6206-2014; OI Munoz-Sanjose, Vicente/0000-0002-3482-6957; Zuniga-Perez, Jesus/0000-0002-7154-641X FU U.S. Department of Energy [DE-AC36-08-GO28308]; WCU program [R33-2012-000-10118-0]; NRF program [2012-0004085]; MEST; Spanish Government [MAT2007-66129, TEC2011-28076-C02-02]; Generalitat Valenciana under Institute of Nanotechnologies for Clean Energies [Prometeo/2011-035, ISIC/2012/008] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. The work done at Kyung Hee University was supported by WCU program (Grant No. R33-2012-000-10118-0) and NRF program (Grant No. 2012-0004085) funded by the MEST. The work done at the Universitat de Valencia was supported by the Spanish Government under the Project Nos. MAT2007-66129, and TEC2011-28076-C02-02, and Generalitat Valenciana under the projects Prometeo/2011-035 and ISIC/2012/008, Institute of Nanotechnologies for Clean Energies. NR 32 TC 4 Z9 4 U1 4 U2 45 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 183515 DI 10.1063/1.4803876 PG 5 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100023 ER PT J AU Karapetian, E Kalinin, SV AF Karapetian, Edgar Kalinin, Sergei V. TI Indentation of a punch with chemical or heat distribution at its base into transversely isotropic half-space: Application to local thermal and electrochemical probes SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 21st IEEE International Symposium on Applications of Ferroelectrics held jointly with 11th European Conference on the Applications of Polar Dielectrics and 4th Conference on Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials CY JUL 09-13, 2012 CL Univ Aveiro, Aveiro, PORTUGAL SP IEEE, IEEE, Ultrason, Ferroelect & Frequency Control (UFFC) Soc HO Univ Aveiro ID PIEZORESPONSE FORCE MICROSCOPY; PIEZOELECTRIC MATERIALS; ACOUSTIC MICROSCOPY; GENERAL-SOLUTION; NANOSCALE; RESOLUTION; CERAMICS; INFINITE; SOLIDS; FUTURE AB The exact solution to the coupled problem of indentation of the punch, subjected to either heat or chemical substance distribution at its base, into three-dimensional semi-infinite transversely isotropic material is presented. The entire set of field components are derived in terms of integrals of elementary functions using methods of the potential theory and recently obtained, by the authors, results for the general solution of the field equations in terms of four harmonic potential functions. The exact solution for the stiffness relations that relate applied force, total chemical diffusion/heat flux in the domain of the contact, with indenter displacement, temperature, or chemical substance distribution of diffusing species at the base, and materials' chemo/thermo-elastic properties are obtained in closed form and in terms of elementary functions. These results can be used to understand the image formation mechanisms in techniques such as thermal scanning probe microscopy and electrochemical strain microscopy. (C) 2013 AIP Publishing LLC C1 [Karapetian, Edgar] Suffolk Univ, Dept Math & Comp Sci, Boston, MA 02114 USA. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Karapetian, E (reprint author), Suffolk Univ, Dept Math & Comp Sci, Boston, MA 02114 USA. EM edgark@mcs.suffolk.edu; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 54 TC 4 Z9 4 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 187201 DI 10.1063/1.4802097 PG 11 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100107 ER PT J AU Lane, NJ Vogel, SC Caspi, EN Barsoum, MW AF Lane, Nina J. Vogel, Sven C. Caspi, El'ad N. Barsoum, Michel W. TI High-temperature neutron diffraction and first-principles study of temperature-dependent crystal structures and atomic vibrations in Ti3AlC2, Ti2AlC, and Ti5Al2C3 SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID AL-C SYSTEM; INITIO MOLECULAR-DYNAMICS; MAX PHASES; MECHANICAL-PROPERTIES; COMBUSTION SYNTHESIS; M(N+1)AX(N) PHASES; OXIDATION BEHAVIOR; THERMAL-PROPERTIES; TEXTURE ANALYSIS; TENSILE CREEP AB Herein we report on the thermal expansions and temperature-dependent crystal structures of select ternary carbide M(n+1)AX(n) (MAX) phases in the Ti-Al-C phase diagram in the 100-1000 degrees C temperature range. A bulk sample containing 38(+/- 1) wt. % Ti5Al2C3 ("523"), 32(+/- 1) wt:% Ti2AlC ("211"), 18(+/- 1) wt:% Ti3AlC2 ("312"), and 12(+/- 1) wt:% (Ti0.5Al0.5)Al is studied by Rietveld analysis of high-temperature neutron diffraction data. We also report on the same for a single-phase sample of Ti3AlC2 for comparison. The thermal expansions of all the MAX phases studied are higher in the c direction than in the a direction. The bulk expansion coefficients-9.3(+/- 0.1) x 10(-6) K-1 for Ti5Al2C3, 9.2(+/- 0.1) x 10(-6) K-1 for Ti2AlC, and 9.0(+/- 0.1) x 10(-6) K-1 for Ti3AlC2-are comparable within one standard deviation of each other. In Ti5Al2C3, the dimensions of the Ti-C octahedra for the 211-like and 312-like regions are comparable to the Ti-C octahedra in Ti2AlC and Ti3AlC2, respectively. The isotropic mean-squared atomic displacement parameters are highest for the Al atoms in all three phases, and the values predicted from first-principles phonon calculations agree well with those measured. (C) 2013 AIP Publishing LLC. C1 [Lane, Nina J.; Caspi, El'ad N.; Barsoum, Michel W.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Vogel, Sven C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Lane, NJ (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM barsoumw@drexel.edu OI Vogel, Sven C./0000-0003-2049-0361 FU U.S. Department of Energy's Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; Army Research Office [W911NF-07-1-0628]; Extreme Science and Engineering Discovery Environment (NSF) [OCI-1053575]; Center for Nanoscale Materials (U.S. DOE-BES) [DE-AC02-06CH11357] FX This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the U.S. Department of Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. This work was also supported by the Army Research Office (W911NF-07-1-0628). This research also benefited from the use of HPC resources from the Extreme Science and Engineering Discovery Environment (NSF grant OCI-1053575) and the Center for Nanoscale Materials (U.S. DOE-BES, under DE-AC02-06CH11357). The authors would also like to thank D. J. Tallman and Dr. T. El-Raghy for providing the samples used in this work. NR 60 TC 9 Z9 9 U1 6 U2 76 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 183519 DI 10.1063/1.4803700 PG 11 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100027 ER PT J AU Li, JY Kalinin, S Kholkin, A AF Li, Jiangyu Kalinin, Sergei Kholkin, Andrei TI Preface to Special Topic: Selected Papers from the Piezoresponse Force Microscopy Workshop Series: Part of the Joint ISAF-ECAPD-PFM 2012 Conference SO JOURNAL OF APPLIED PHYSICS LA English DT Editorial Material ID SCANNING PROBE MICROSCOPY; SURFACE-POTENTIAL MICROSCOPY; ROOM-TEMPERATURE FERROELECTRICITY; BATIO3 100 SURFACE; ACOUSTIC MICROSCOPY; DOMAIN-STRUCTURE; THIN-FILMS; NANOSCALE; RESOLUTION; POLARIZATION C1 [Li, Jiangyu] Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA. [Kalinin, Sergei] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kholkin, Andrei] Univ Aveiro, Dept Mat & Ceram Engn, P-3810193 Aveiro, Portugal. [Kholkin, Andrei] Univ Aveiro, CICECO, P-3810193 Aveiro, Portugal. RP Li, JY (reprint author), Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA. RI Kholkin, Andrei/G-5834-2010 OI Kholkin, Andrei/0000-0003-3432-7610 NR 80 TC 2 Z9 2 U1 3 U2 42 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 187101 DI 10.1063/1.4802189 PG 4 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100106 ER PT J AU Morozovska, AN Eliseev, EA Varenyk, OV Kalinin, SV AF Morozovska, Anna N. Eliseev, Eugene A. Varenyk, Oleksandr V. Kalinin, Sergei V. TI Effective piezoelectric response of twin walls in ferroelectrics SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 21st IEEE ISAF, held Jointly with 11th ECAPD and 4th Conference on PFM and Nanoscale Phenomena in Polar Materials CY JUL 09-13, 2012 CL Univ Aveiro, Aveiro, PORTUGAL SP IEEE, IEEE, Ultrason, Ferroelect & Frequency Control (UFFC) Soc HO Univ Aveiro ID PIEZORESPONSE FORCE MICROSCOPY; TITANATE THIN-FILMS; DOMAIN-WALLS; DEFORMATION; CONDUCTION AB The effective piezoelectric coefficients of twin walls in tetragonal ferroelectric are calculated in the framework of decoupling approximation and Landau-Ginzburg-Devonshire theory allowing for polarization gradient terms, electrostriction and flexoelectric coupling. Using an example of piezoelectric response of a(1)-a(2) twins to a homogeneous electric field, we show that the response is almost independent on the flexoelectric coupling, but is very sensitive to the values of polarization gradient coefficients. This behavior originates from the strong coupling between local dielectric susceptibility and the gradient coefficients. The enhancement of piezoelectric response from 10% up to a factor of 10(3) times is predicted. The local electromechanical response of the domain walls can thus provide information on the gradient terms in Ginzburg-Landau-Devonshire expansion and pinning mechanisms of the ferroelectric domain walls. The observability of these effects by the piezoresponse force microscopy of electroded structures and impact on the functional properties of the systems with dense domain structures are analyzed. (C) 2013 AIP Publishing LLC C1 [Morozovska, Anna N.] Natl Acad Sci Ukraine, Inst Phys, UA-03028 Kiev, Ukraine. [Eliseev, Eugene A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Varenyk, Oleksandr V.] Taras Shevchenko Natl Univ Kyiv, UA-03022 Kiev, Ukraine. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Morozovska, AN (reprint author), Natl Acad Sci Ukraine, Inst Phys, 41 Pr Nauki, UA-03028 Kiev, Ukraine. EM morozo@i.com.ua; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 45 TC 9 Z9 9 U1 1 U2 41 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 187222 DI 10.1063/1.4801988 PG 7 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100128 ER PT J AU Morozovska, AN Eliseev, EA Svechnikov, GS Kalinin, SV AF Morozovska, Anna N. Eliseev, Eugene A. Svechnikov, G. S. Kalinin, Sergei V. TI Mesoscopic mechanism of the domain wall interaction with elastic defects in uniaxial ferroelectrics SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 21st IEEE International Symposium on Applications of Ferroelectrics held jointly with 11th European Conference on the Applications of Polar Dielectrics and 4th Conference on Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials CY JUL 09-13, 2012 CL Univ Aveiro, Aveiro, PORTUGAL SP IEEE, IEEE, Ultrason, Ferroelect & Frequency Control (UFFC) Soc HO Univ Aveiro ID THIN-FILMS; SIMULATION; POLARIZATION; TRANSITION; CONDUCTION; FATIGUE; BIFEO3; SCALE AB The role of elastic defects on the kinetics of 180 degrees uncharged ferroelectric domain wall motion is explored using continuum time-dependent Landau-Ginzburg-Devonshire equation with elastic dipole coupling. In one dimensional case, ripples, steps, and oscillations of the domain wall velocity appear due to the wall-defect interactions. While the defects do not affect the limiting-wall velocity vs. field dependence, they result in the minimal threshold field required to activate the wall motions. The analytical expressions for the threshold field are derived and the latter is shown to be much smaller than the thermodynamic coercive field. The threshold field is linearly proportional to the concentration of defects and non-monotonically depends on the average distance between them. The obtained results provide the insight into the mesoscopic mechanism of the domain wall pinning by elastic defects in ferroelectrics. (C) 2013 AIP Publishing LLC C1 [Morozovska, Anna N.] Natl Acad Sci Ukraine, Inst Phys, UA-03028 Kiev, Ukraine. [Eliseev, Eugene A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Svechnikov, G. S.] Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Morozovska, AN (reprint author), Natl Acad Sci Ukraine, Inst Phys, 46 Pr Nauki, UA-03028 Kiev, Ukraine. EM morozo@i.com.ua; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 45 TC 4 Z9 4 U1 0 U2 32 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 187203 DI 10.1063/1.4801959 PG 9 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100109 ER PT J AU Mukherjee, K Beaton, DA Christian, T Jones, EJ Alberi, K Mascarenhas, A Bulsara, MT Fitzgerald, EA AF Mukherjee, K. Beaton, D. A. Christian, T. Jones, E. J. Alberi, K. Mascarenhas, A. Bulsara, M. T. Fitzgerald, E. A. TI Growth, microstructure, and luminescent properties of direct-bandgap InAlP on relaxed InGaAs on GaAs substrates SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID LIGHT-EMITTING-DIODES; CHEMICAL-VAPOR-DEPOSITION; MOLECULAR-BEAM EPITAXY; SPINODAL DECOMPOSITION; PHASE-SEPARATION; COMPOSITION MODULATION; ORDERED STRUCTURE; LAYERS; ALGAINP; GAINP AB Direct-bandgap InAlP alloy has the potential to be an active material in nitride-free yellow-green and amber optoelectronics with applications in solid-state lighting, display devices, and multi-junction solar cells. We report on the growth of high-quality direct-bandgap InAlP on relaxed InGaAs graded buffers with low threading dislocation densities. Structural characterization reveals phase-separated microstructures in these films which have an impact on the luminescence spectrum. While similar to InGaP in many ways, the greater tendency for phase separation in InAlP leads to the simultaneous occurrence of compositional inhomogeneity and CuPt-B ordering. Mechanisms connecting these two structural parameters are presented as well as results on the effect of silicon and zinc dopants on homogenizing the microstructure. Spontaneous formation of tilted planes of phase-separated material, with alternating degrees of ordering, is observed when InAlP is grown on vicinal substrates. The photoluminescence peak-widths of these films are actually narrower than those grown on exact (001) substrates. We find that, despite phase-separation, ordered direct-bandgap InAlP is a suitable material for optoelectronics. (C) 2013 AIP Publishing LLC. C1 [Mukherjee, K.; Jones, E. J.; Bulsara, M. T.; Fitzgerald, E. A.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Beaton, D. A.; Christian, T.; Alberi, K.; Mascarenhas, A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Christian, T.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. RP Mukherjee, K (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. FU NREL under the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC36-08GO28308]; DOE/NETL Solid-State Lighting Contract of Directed Research [DE-FC26-0#NT20286]; National Science Foundation [DMR-08-19762]; Department of Energy Office of Science; ORISE-ORAU [DE-AC05-06OR23100] FX This work was supported by (materials growth and ordering) an NREL subcontract under the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under award number DE-AC36-08GO28308, (optical characterization) DOE/NETL Solid-State Lighting Contract of Directed Research under award number DE-FC26-0#NT20286, and (structural characterization) the MRSEC Shared Experimental Facilities at MIT, supported by the National Science Foundation under award number DMR-08-19762. TC acknowledges the support of the Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF), made possible in part by the American Recovery and Reinvestment Act of 2009, administered by ORISE-ORAU under contract DE-AC05-06OR23100. NR 49 TC 9 Z9 9 U1 3 U2 54 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 183518 DI 10.1063/1.4804264 PG 8 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100026 ER PT J AU Perry, J Azzouz, M Bacon, J Borozdin, K Chen, E Fabritius, J Milner, E Miyadera, H Morris, C Roybal, J Wang, ZH Busch, B Carpenter, K Hecht, AA Masuda, K Spore, C Toleman, N Aberle, D Lukic, Z AF Perry, John Azzouz, Mara Bacon, Jeffrey Borozdin, Konstantin Chen, Elliott Fabritius, Joseph, II Milner, Edward Miyadera, Haruo Morris, Christopher Roybal, Jonathan Wang, Zhehui Busch, Bob Carpenter, Ken Hecht, Adam A. Masuda, Koji Spore, Candace Toleman, Nathan Aberle, Derek Lukic, Zarija TI Imaging a nuclear reactor using cosmic ray muons SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INTERNAL-STRUCTURE; DETECTION SYSTEM; ZENITH-ANGLE; SEA-LEVEL; SPECTRUM; VOLCANO AB The passage of muons through matter is dominated by the Coulomb interaction with electrons and nuclei. The muon interaction with electrons leads to continuous energy loss and stopping of the muons. The muon interaction with nuclei leads to angular diffusion. We present experimental images of a nuclear reactor, the AGN-201M reactor at the University of New Mexico, using data measured with a particle tracker built from a set of sealed drift tubes. The data are compared with a GEANT4 model. In both the data and simulation, we identify specific regions corresponding to elements of the reactor structure, including its core, moderator, and shield. (C) 2013 AIP Publishing LLC. C1 [Perry, John; Azzouz, Mara; Bacon, Jeffrey; Borozdin, Konstantin; Chen, Elliott; Fabritius, Joseph, II; Milner, Edward; Miyadera, Haruo; Morris, Christopher; Roybal, Jonathan; Wang, Zhehui] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Busch, Bob; Carpenter, Ken; Hecht, Adam A.; Masuda, Koji; Spore, Candace; Toleman, Nathan] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Aberle, Derek] Natl Secur Technol, Los Alamos, NM 87545 USA. [Lukic, Zarija] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Perry, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Morris, Christopher/0000-0003-2141-0255; Perry, John/0000-0003-3639-5617 FU LDRD program at Los Alamos National Laboratory FX We would like to thank the LDRD program at Los Alamos National Laboratory for providing funding support for the LANL team. We would also like to thank the University of New Mexico for logistic support of our measurements. We appreciate assistance from Mike Brockwell and his team in the MMT deployment. NR 28 TC 12 Z9 13 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 184909 DI 10.1063/1.4804660 PG 9 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100104 ER PT J AU Ruth, A Nemeth, K Harkay, KC Terdik, JZ Spentzouris, L Terry, J AF Ruth, Anthony Nemeth, Karoly Harkay, Katherine C. Terdik, Joseph Z. Spentzouris, Linda Terry, Jeff TI Searching for low-workfunction phases in the Cs-Te system: The case of Cs2Te5 SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSITION-METAL ACETYLIDES; RB; PD AB We have computationally explored workfunction values of Cs2Te5 surfaces, an existing crystalline phase of the Cs-Te system and a small bandgap semiconductor, in order to search for reduced workfunction alternatives of Cs2Te that preserve the exceptionally high quantum efficiency of the Cs2Te seasoned photoemissive material. We have found that the Cs2Te5(010) surface exhibits a workfunction value of approximate to 1.9 eV when it is covered by Cs atoms. Cs2Te5 is analogous to our recently proposed low-workfunction materials, Cs2TeC2, and other ternary acetylides [J. Z. Terdik et al., Phys. Rev. B 86, 035142 (2012)], in as much as it also contains quasi one-dimensional substructures embedded in a Cs-matrix, forming the foundation for anomalous workfunction anisotropy and low workfunction values. The one-dimensional substructures in Cs2Te5 are polytelluride ions in a tetragonal rod-like packing. Cs2Te5 has the advantage of simpler composition and availability as compared to Cs2TeC2; however, its low workfunction surface is less energetically favored to the other surfaces than in Cs2TeC2. A significant and remarkable advantage of Cs2Te5 as compared to Cs2Te is its high optical absorption of visible photons that can allow for high quantum efficiency electron emission at visible photon energies. (C) 2013 AIP Publishing LLC. C1 [Ruth, Anthony; Nemeth, Karoly; Spentzouris, Linda; Terry, Jeff] IIT, Dept Phys, Chicago, IL 60616 USA. [Nemeth, Karoly; Harkay, Katherine C.; Terdik, Joseph Z.; Spentzouris, Linda] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Ruth, A (reprint author), IIT, Dept Phys, Chicago, IL 60616 USA. EM Nemeth@ANL.Gov RI Nemeth, Karoly/L-7806-2014; Yambo, MBPT Code/O-4564-2015 OI Nemeth, Karoly/0000-0001-8366-1397; FU U.S. DOE Office of Science [DE-AC02-06CH11357]; National Science Foundation [PHY-0969989] FX The authors gratefully acknowledge A. Zholents, Z. Yusof, and K. Attenkofer (APS/Argonne) for helpful discussions and thank NERSC (U.S. DOE DE-AC02-05CH11231) for the use of computational resources. This research was supported by the U.S. DOE Office of Science, under Contract No. DE-AC02-06CH11357 and also by the National Science Foundation (No. PHY-0969989). NR 15 TC 2 Z9 2 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 183703 DI 10.1063/1.4804155 PG 4 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100036 ER PT J AU Zhao, GF Liu, M An, ZN Ren, Y Liaw, PK Yang, FQ AF Zhao, Guangfeng Liu, Ming An, Zhinan Ren, Yang Liaw, Peter K. Yang, Fuqian TI Electromechanical responses of Cu strips SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID COPPER INTERCONNECTS; ELECTRIC-CURRENT; THERMAL FATIGUE; CONDUCTOR LINES; ELECTROMIGRATION; FAILURE; NANOINDENTATION; MECHANISM AB Electrical-thermal-mechanical behavior of materials plays an important role in controlling the structural integrity of electromechanical structures of small volumes. The electromechanical response of Cu strips was studied by passing an electric current through the strips with electric current densities in the range of 12.34 to 29.60 kA/cm(2). The passage of the electric current of high current densities introduced electrical-thermal-mechanical interactions, which caused grain growth and grain rotation in both the melted region and heat-affected zone. The electrothermal interactions led to the elastoplastic buckling of the Cu strips with the maximum deflection of the Cu strips increasing with the increase of the electric current density. The total strain is a quadratic function of the electric current density. There was a quasi-steady state in which the electric resistance of the Cu strips linearly increased with time before the occurrence of electric fusing. A power-law relation was used to describe the dependence of the time-to-failure (electric fusing) on the electric current density. For the region of relatively low current densities, the current exponent ranged from 17.9 to 44.6, and for the region of high current densities, the current exponent ranged from 2.5 to 5.2. The current exponent for relatively low current densities decreased with increasing the length of Cu strips, showing size-dependence. Finite element analyses were performed to analyze the current-induced deflection of a Cu strip. The simulation results showed that the maximum deflection for the electric current density larger than or equal to 5 kA/cm(2) is a linear function of the current density in agreement with the experimental observation. (C) 2013 AIP Publishing LLC. C1 [Zhao, Guangfeng; Liu, Ming; Yang, Fuqian] Univ Kentucky, Dept Chem & Mat Engn, Mat Program, Lexington, KY 40506 USA. [An, Zhinan; Liaw, Peter K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Zhao, GF (reprint author), Univ Kentucky, Dept Chem & Mat Engn, Mat Program, Lexington, KY 40506 USA. EM fyang0@engr.uky.edu RI Liu, Ming/B-5333-2012 OI Liu, Ming/0000-0001-9987-9729 FU NSF [CMMI 0800018]; U.S. Department of Energy's Office of Science [DE-AC02-06CH11357] FX This work was supported by NSF through Grant No. CMMI 0800018. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy's Office of Science under Contract No. DE-AC02-06CH11357. NR 31 TC 1 Z9 1 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 14 PY 2013 VL 113 IS 18 AR 183521 DI 10.1063/1.4804938 PG 10 WC Physics, Applied SC Physics GA 149BX UT WOS:000319294100029 ER PT J AU Renbaum-Wolff, L Grayson, JW Bateman, AP Kuwata, M Sellier, M Murray, BJ Shilling, JE Martin, ST Bertram, AK AF Renbaum-Wolff, Lindsay Grayson, James W. Bateman, Adam P. Kuwata, Mikinori Sellier, Mathieu Murray, Benjamin J. Shilling, John E. Martin, Scot T. Bertram, Allan K. TI Viscosity of alpha-pinene secondary organic material and implications for particle growth and reactivity SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE aerosol; physical properties; secondary organic aerosol ID AEROSOL-PARTICLES; CHEMICAL-COMPOSITION; MASS-SPECTRA; PHASE STATE; OZONOLYSIS; KINETICS; VISCOMETER; OZONE; WATER; CONDENSATION AB Particles composed of secondary organic material (SOM) are abundant in the lower troposphere. The viscosity of these particles is a fundamental property that is presently poorly quantified yet required for accurate modeling of their formation, growth, evaporation, and environmental impacts. Using two unique techniques, namely a "bead-mobility" technique and a "poke-flow" technique, in conjunction with simulations of fluid flow, the viscosity of the water-soluble component of SOM produced by alpha-pinene ozonolysis is quantified for 20- to 50-mu m particles at 293-295 K. The viscosity is comparable to that of honey at 90% relative humidity (RH), similar to that of peanut butter at 70% RH, and at least as viscous as bitumen at <= 30% RH, implying that the studied SOM ranges from liquid to semisolid or solid across the range of atmospheric RH. These data combined with simple calculations or previous modeling studies are used to show the following: (i) the growth of SOM by the exchange of organic molecules between gas and particle may be confined to the surface region of the particles for RH <= 30%; (ii) at <= 30% RH, the particle-mass concentrations of semivolatile and low-volatility organic compounds may be overpredicted by an order of magnitude if instantaneous equilibrium partitioning is assumed in the bulk of SOM particles; and (iii) the diffusivity of semireactive atmospheric oxidants such as ozone may decrease by two to five orders of magnitude for a drop in RH from 90% to 30%. These findings have possible consequences for predictions of air quality, visibility, and climate. C1 [Renbaum-Wolff, Lindsay; Grayson, James W.; Bertram, Allan K.] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada. [Bateman, Adam P.; Kuwata, Mikinori; Martin, Scot T.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Sellier, Mathieu] Univ Canterbury, Dept Mech Engn, Christchurch 8140, New Zealand. [Murray, Benjamin J.] Univ Leeds, Sch Earth & Environm, Leeds LS2 9JT, W Yorkshire, England. [Shilling, John E.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Martin, Scot T.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. RP Martin, ST (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. EM smartin@seas.harvard.edu; bertram@chem.ubc.ca RI Sellier, Mathieu/G-3902-2012; Murray, Benjamin/C-1219-2010; Kuwata, Mikinori/N-1585-2013; Martin, Scot/G-1094-2015; Bateman, Adam/G-2804-2015; Shilling, John/L-6998-2015 OI Sellier, Mathieu/0000-0002-5060-1707; Murray, Benjamin/0000-0002-8198-8131; Kuwata, Mikinori/0000-0002-2834-859X; Martin, Scot/0000-0002-8996-7554; Bateman, Adam/0000-0003-3514-0727; Shilling, John/0000-0002-3728-0195 FU Natural Sciences and Engineering Research Council of Canada; US Department of Energy [DE-FG02-08ER64529, DE-AC05-76RL01830]; European Research Council [240449 ICE]; Pacific Northwest National Laboratory (PNNL) Aerosol Climate Initiative FX We thank Dan Bizzotto for helpful advice on interpreting the experimental results and Neil Donahue for useful discussions. We also acknowledge the Laboratory for Advanced Spectroscopy and Imaging Research facility at University of British Columbia for providing the microscope used in these experiments. This work was funded by the Natural Sciences and Engineering Research Council of Canada; the US Department of Energy, Grant DE-FG02-08ER64529; the European Research Council, Grant FP7, 240449 ICE; and the Pacific Northwest National Laboratory (PNNL) Aerosol Climate Initiative. PNNL is operated for the US Department of Energy by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 52 TC 119 Z9 120 U1 17 U2 156 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 14 PY 2013 VL 110 IS 20 BP 8014 EP 8019 DI 10.1073/pnas.1219548110 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 156EH UT WOS:000319803500019 PM 23620520 ER PT J AU Barros, T Guenther, J Kelch, B Anaya, J Prabhakar, A O'Donnell, M Kuriyan, J Lamers, MH AF Barros, Tiago Guenther, Joel Kelch, Brian Anaya, Jordan Prabhakar, Arjun O'Donnell, Mike Kuriyan, John Lamers, Meindert H. TI A structural role for the PHP domain in E. coli DNA polymerase III SO BMC STRUCTURAL BIOLOGY LA English DT Article DE DNA polymerase III; DNA replication; PHP domain; Proofreading exonuclease ID THERMUS-THERMOPHILUS HB8; CRYSTAL-STRUCTURE; EPSILON-SUBUNIT; ALPHA-SUBUNIT; PROOFREADING EXONUCLEASE; SEQUENCE; REVEALS; BINDING; FAMILY; IDENTIFICATION AB Background: In addition to the core catalytic machinery, bacterial replicative DNA polymerases contain a Polymerase and Histidinol Phosphatase (PHP) domain whose function is not entirely understood. The PHP domains of some bacterial replicases are active metal-dependent nucleases that may play a role in proofreading. In E. coli DNA polymerase III, however, the PHP domain has lost several metal-coordinating residues and is likely to be catalytically inactive. Results: Genomic searches show that the loss of metal-coordinating residues in polymerase PHP domains is likely to have coevolved with the presence of a separate proofreading exonuclease that works with the polymerase. Although the E. coli Pol III PHP domain has lost metal-coordinating residues, the structure of the domain has been conserved to a remarkable degree when compared to that of metal-binding PHP domains. This is demonstrated by our ability to restore metal binding with only three point mutations, as confirmed by the metal-bound crystal structure of this mutant determined at 2.9 angstrom resolution. We also show that Pol III, a large multi-domain protein, unfolds cooperatively and that mutations in the degenerate metal-binding site of the PHP domain decrease the overall stability of Pol III and reduce its activity. Conclusions: While the presence of a PHP domain in replicative bacterial polymerases is strictly conserved, its ability to coordinate metals and to perform proofreading exonuclease activity is not, suggesting additional nonenzymatic roles for the domain. Our results show that the PHP domain is a major structural element in Pol III and its integrity modulates both the stability and activity of the polymerase. C1 [Barros, Tiago; Guenther, Joel; Kelch, Brian; Anaya, Jordan; Prabhakar, Arjun; Kuriyan, John; Lamers, Meindert H.] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [O'Donnell, Mike] Rockefeller Univ, Howard Hughes Med Inst, Lab DNA Replicat, New York, NY 10021 USA. [Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu; mlamers@mrc-lmb.cam.ac.uk OI Anaya, Jordan/0000-0002-6166-4113; Barros, Tiago/0000-0002-9807-7625; O'Donnell, Michael/0000-0001-9002-4214 FU National Institutes of Health [GM45547]; EMBO Long-term fellowship [ALTF 576-2009] FX The authors thank members of the Kuriyan laboratory, in particular Markus Seeliger, Jeff Iwig and Margaret Stratton for helpful discussions. In addition, we thank Tiffany Chou for help with construction of the PHP domain mutants. This work was supported in part by a grant from the National Institutes of Health to JK (GM45547) and by a EMBO Long-term fellowship to TB (ALTF 576-2009). NR 40 TC 10 Z9 10 U1 2 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1472-6807 J9 BMC STRUCT BIOL JI BMC Struct. Biol. PD MAY 14 PY 2013 VL 13 AR 8 DI 10.1186/1472-6807-13-8 PG 12 WC Biophysics SC Biophysics GA 154LG UT WOS:000319676200001 PM 23672456 ER PT J AU Butler, MC Ledbetter, MP Theis, T Blanchard, JW Budker, D Pines, A AF Butler, Mark C. Ledbetter, Micah P. Theis, Thomas Blanchard, John W. Budker, Dmitry Pines, Alexander TI Multiplets at zero magnetic field: The geometry of zero-field NMR SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DYNAMIC NUCLEAR-POLARIZATION; MICROTESLA MRI; RESONANCE; SPECTROSCOPY; MAGNETOMETRY; PARAHYDROGEN; DEVICES AB For liquid samples at Earth's field or below, nuclear-spin motion within scalar-coupled networks yields multiplets as a spectroscopic signature. In weak fields, the structure of the multiplets depends on the magnitude of the Zeeman interaction relative to the scalar couplings; in Earth's field, for example, heteronuclear couplings are truncated by fast precession at distinct Larmor frequencies. At zero field, weak scalar couplings are truncated by the relatively fast evolution associated with strong scalar couplings, and the truncated interactions can be described geometrically. When the spin system contains a strongly coupled subsystem A, an average over the fast evolution occurring within the subsystem projects each strongly coupled spin onto F A, the summed angular momentum of the spins in A. Weakly coupled spins effectively interact with F A, and the coupling constants for the truncated interactions are found by evaluating projections. We provide a formal description of zero-field spin systems with truncated scalar couplings while also emphasizing visualization based on a geometric model. The theoretical results are in good agreement with experimental spectra that exhibit second-order shifts and splittings. (C) 2013 AIP Publishing LLC. C1 [Butler, Mark C.; Theis, Thomas; Blanchard, John W.; Pines, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Butler, Mark C.; Theis, Thomas; Blanchard, John W.; Pines, Alexander] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ledbetter, Micah P.; Budker, Dmitry] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Budker, Dmitry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Butler, MC (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. EM mrkcbutler@gmail.com RI Butler, Mark/L-6906-2013; Theis, Thomas/J-2304-2014; Budker, Dmitry/F-7580-2016; OI Butler, Mark/0000-0002-1273-5771; Theis, Thomas/0000-0001-6779-9978; Budker, Dmitry/0000-0002-7356-4814; Blanchard, John/0000-0002-1621-6637 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]; National Science Foundation [CHE-095765, DGE-1106400] FX Research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-05CH11231 [theoretical work, salaries for T. Theis, J. Blanchard, A. Pines], and by the National Science Foundation under Award No. CHE-095765 [zero-field experiments and instrumentation, salaries for M. Butler, M. Ledbetter, D. Budker, A. Pines]. J. Blanchard is supported by a National Science Foundation Graduate Research Fellowship under Grant No. DGE-1106400. We thank Professor Marcis Auzinsh for comments on the manuscript. NR 49 TC 6 Z9 6 U1 2 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 14 PY 2013 VL 138 IS 18 AR 184202 DI 10.1063/1.4803144 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AQ UT WOS:000319290800020 PM 23676037 ER PT J AU Dixit, PD AF Dixit, Purushottam D. TI A maximum entropy thermodynamics of small systems SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID PROTEINS; ENERGIES; DYNAMICS; MODELS; KCSA AB We present a maximum entropy approach to analyze the state space of a small system in contact with a large bath, e. g., a solvated macromolecular system. For the solute, the fluctuations around the mean values of observables are not negligible and the probability distribution P(r) of the state space depends on the intricate details of the interaction of the solute with the solvent. Here, we employ a superstatistical approach: P(r) is expressed as a marginal distribution summed over the variation in beta, the inverse temperature of the solute. The joint distribution P(beta, r) is estimated by maximizing its entropy. We also calculate the first order system-size corrections to the canonical ensemble description of the state space. We test the development on a simple harmonic oscillator interacting with two baths with very different chemical identities, viz., (a) Lennard-Jones particles and (b) water molecules. In both cases, our method captures the state space of the oscillator sufficiently well. Future directions and connections with traditional statistical mechanics are discussed. (C) 2013 AIP Publishing LLC. C1 Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. RP Dixit, PD (reprint author), Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. EM pdixit@bnl.gov FU Office of Biological Research of the U.S. Department of Energy [PM-031] FX This work was supported by grants (Grant No. PM-031) from the Office of Biological Research of the U.S. Department of Energy. NR 26 TC 2 Z9 2 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 14 PY 2013 VL 138 IS 18 AR 184111 DI 10.1063/1.4804549 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AQ UT WOS:000319290800016 PM 23676033 ER PT J AU Semidey-Flecha, L Teng, D Habenicht, BF Sholl, DS Xu, Y AF Semidey-Flecha, Lymarie Teng, Dieh Habenicht, Bradley F. Sholl, David S. Xu, Ye TI Adsorption and diffusion of the Rh and Au adatom on graphene moire/Ru(0001) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; METAL-SURFACES; NONPERIODIC MATERIALS; BASIS-SET; GROWTH; RU(0001); TRANSITION; CLUSTERS AB Detailed density functional theory calculations have been performed to investigate the adsorption and diffusion of the Rh and Au adatom on the graphene moire superstructure on Ru(0001). The adsorption energies of each adatom in all of the non-equivalent C-top and C-6 ring center sites on the graphene moire have been calculated. The resulting potential energy surfaces encompass the entire graphene moire unit cell and shows that the adsorption of both Rh-1 and Au-1 is most stable in the fcc region on the graphene moire. The minimum-energy diffusion path between adjacent moire cells is identified to run mostly directly between the fcc and hcp regions for Au-1, but deviates toward the mound region for Rh-1. The global diffusion barrier is estimated to be 0.53 eV for Rh-1 and 0.71 eV for Au-1, corresponding to a hopping rate between adjacent moire cells of similar to 10(3) s(-1) and similar to 1 s(-1) at 298 K, respectively. The consequences of different hopping rates to cluster nucleation have been explored by performing Monte Carlo-based statistical analysis, which suggests that diffusing species other than adatoms need to be taken into account to develop an accurate description of cluster nucleation and growth on this surface. (C) 2013 AIP Publishing LLC. C1 [Semidey-Flecha, Lymarie; Habenicht, Bradley F.; Xu, Ye] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Teng, Dieh; Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Xu, Y (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM yexu@lsu.edu RI Xu, Ye/B-5447-2009 OI Xu, Ye/0000-0002-6406-7832 FU Center for Atomic Level Catalyst Design, an Energy Frontier Research Center; (U.S.) Department of Energy (DOE), Office of Science, and Office of Basic Energy Sciences [DE-SC0001058]; DOE Office of Science [DE-AC02-05CH11231, DE-AC05-00OR22725] FX This work is supported as part of the Center for Atomic Level Catalyst Design, an Energy Frontier Research Center funded by the (U.S.) Department of Energy (DOE), Office of Science, and Office of Basic Energy Sciences under Award No. DE-SC0001058, and used resources of the National Energy Research Scientific Computing Center, which is supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231, and of the Oak Ridge Leadership Computing Facility, which is supported by the DOE Office of Science under Contract No. DE-AC05-00OR22725. NR 85 TC 11 Z9 11 U1 2 U2 61 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 14 PY 2013 VL 138 IS 18 AR 184710 DI 10.1063/1.4803893 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AQ UT WOS:000319290800050 PM 23676067 ER PT J AU Zhang, C Pham, TA Gygi, F Galli, G AF Zhang, Cui Tuan Anh Pham Gygi, Francois Galli, Giulia TI Communication: Electronic structure of the solvated chloride anion from first principles molecular dynamics SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; LIQUID WATER; AQUEOUS-SOLUTIONS; GENERATION SPECTROSCOPY; EMISSION-SPECTROSCOPY; ION SOLVATION; AB-INITIO; ELECTROLYTES; SIMULATION; INTERFACES AB We present first principles molecular dynamics simulations of the chloride anion in liquid water performed using gradient-corrected and hybrid density functionals. We show that it is necessary to use hybrid functionals both for the generation of molecular dynamics trajectories and for the calculation of electronic states in order to obtain a qualitatively correct description of the electronic properties of the solution. In particular, it is only with hybrid functionals that the highest occupied molecular orbital of the anion is found above the valence band maximum of water, consistent with photoelectron detachment measurements. Similar results were obtained using many body perturbation theory within the G(0)W(0) approximation. (C) 2013 AIP Publishing LLC. C1 [Zhang, Cui; Tuan Anh Pham; Galli, Giulia] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Tuan Anh Pham] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Gygi, Francois] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [Galli, Giulia] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Zhang, C (reprint author), Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. EM gagalli@ucdavis.edu FU DOE/BES [DE-SC0008938]; DOE/CMCSN [DE-SC0005180]; Office of Science of the U.S. DOE [DE-AC02-06CH11357]; U.S. DOE by LLNL [DE-AC52-07NA27344]; Lawrence Scholar Program FX We thank M. Sprik for useful discussions. This work was supported by DOE/BES (Grant No. DE-SC0008938) and DOE/CMCSN (Grant No. DE-SC0005180). This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-06CH11357. Part of this work was performed under the auspices of the U.S. DOE by LLNL under Contract No. DE-AC52-07NA27344. T. A. P. acknowledges support from the Lawrence Scholar Program. NR 55 TC 23 Z9 23 U1 1 U2 32 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 14 PY 2013 VL 138 IS 18 AR 181102 DI 10.1063/1.4804621 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 149AQ UT WOS:000319290800002 PM 23676018 ER PT J AU Braunecker, WA Oosterhout, SD Owczarczyk, ZR Larsen, RE Larson, BW Ginley, DS Boltalina, OV Strauss, SH Kopidakis, N Olson, DC AF Braunecker, Wade A. Oosterhout, Stefan D. Owczarczyk, Zbyslaw R. Larsen, Ross E. Larson, Bryon W. Ginley, David S. Boltalina, Olga V. Strauss, Steven H. Kopidakis, Nikos Olson, Dana C. TI Ethynylene-Linked Donor-Acceptor Alternating Copolymers SO MACROMOLECULES LA English DT Article ID OPEN-CIRCUIT VOLTAGE; BAND-GAP POLYMERS; SOLAR-CELLS; ORGANIC PHOTOVOLTAICS; CONJUGATED POLYMER; REDUCTION POTENTIALS; PERFORMANCE; DEVICES; POLY(ARYLENEETHYNYLENE)S; NANOPARTICLES AB Controlling steric interactions between neighboring repeat units in donor acceptor (D-A) alternating copolymers can positively impact morphologies and intermolecular electronic interactions necessary to obtain high performances in organic photovoltaic (OPV) devices. Herein, we design and synthesize 12 new conjugated D A copolymers, employing ethynylene linkages for this control. We explore D A combinations of fluorene, benzodithiophene, and diketopyrrolopyrrole with analogues of pyromellitic diimide, thienoisoindoledione, isothianaphthene, thienopyrazine, and thienopyrroledione. Computational modeling suggests the ethynylene-containing polymers can adopt virtually planar conformations, while many of the analogous polyarylenes lacking the ethynylene linkage are predicted to have quite twisted backbone (>35 degrees). The introduction of ethynylene linkages into these D A systems universally results in a significant blue-shift in the absorbance spectra (by as much as 100 nm) and a deeper HOMO value (similar to 0.1 eV) as compared to the polyarylene analogues. The contactless time-resolved microwave conductivity technique is used to measure the photoconductance of polymer/fullerene blends and is further discussed as a tool for screening potential active layer materials for OPV devices. Finally, we demonstrate that an ethynylene-linked alternating copolymer of diketopyrrolopyrrole and thienopyrroledione, with a rather deep LUMO estimated at -4.2 eV, shows increased photoconductance when blended with a perfluoroalkyl fullerene C-60(CF3)(2) as compared to the standard PC61BM. We attribute the change in increased free carrier generation to the higher electron affinity of C-60(CF3)(2) that is more appropriately matched with the deeper LUMO of the polymer. C1 [Braunecker, Wade A.; Oosterhout, Stefan D.; Owczarczyk, Zbyslaw R.; Larsen, Ross E.; Ginley, David S.; Kopidakis, Nikos; Olson, Dana C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Larson, Bryon W.; Boltalina, Olga V.; Strauss, Steven H.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. RP Braunecker, WA (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Wade.Braunecker@nrel.gov RI Larsen, Ross/E-4225-2010; Kopidakis, Nikos/N-4777-2015 OI Larsen, Ross/0000-0002-2928-9835; FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory through the DOE SETP program; NSF [CHE-1012468] FX This work was supported by the U.S. Department of Energy under Contract DE-AC36-08-GO28308 with the National Renewable Energy Laboratory through the DOE SETP program and by the NSF (Grant CHE-1012468 to S.H.S. and O.V.B.). NR 53 TC 31 Z9 31 U1 3 U2 90 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD MAY 14 PY 2013 VL 46 IS 9 BP 3367 EP 3375 DI 10.1021/ma400238t PG 9 WC Polymer Science SC Polymer Science GA 147RP UT WOS:000319185000020 ER PT J AU Carrillo, JMY MacKintosh, FC Dobrynin, AV AF Carrillo, Jan-Michael Y. MacKintosh, Fred C. Dobrynin, Andrey V. TI Nonlinear Elasticity: From Single Chain to Networks and Gels SO MACROMOLECULES LA English DT Article ID POLYMER NETWORKS; MECHANICAL-PROPERTIES; BIOPOLYMER NETWORKS; ACTIN NETWORKS; DYNAMICS; CELL; FILAMENTS; BEHAVIOR; TENSION; STRETCH AB Biological and polymeric networks show highly nonlinear stress-strain behavior manifested in materials that stiffen with increasing deformation. Using a combination of the theoretical analysis and molecular dynamics simulations, we develop a model of network deformation that describes nonlinear mechanical properties of networks and gels by relating their macroscopic strain hardening behavior to molecular parameters of the network strands, The starting point of our approach is a nonlinear force/elongation relation for discrete chains with varying bending rigidity. The derived expression for the network free energy is a universal function of the first deformation invariant and chain elongation ratio that depends on a ratio of the unperturbed chain size to chain dimension in a fully extended conformation. The model predictions for the nonlinear shear modulus and differential shear modulus for uniaxial and shear deformations are in very good agreement with both the results of molecular dynamics simulations of networks and with experimental data for biopolymer networks of actin, collagen, fibrin, vimentin, neurofilaments, and pectin. C1 [Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.] Univ Connecticut, Inst Mat Sci, Polymer Program, Storrs, CT 06269 USA. [Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Carrillo, Jan-Michael Y.] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Dept Comp Sci, Oak Ridge, TN 37831 USA. [MacKintosh, Fred C.] Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. RP Dobrynin, AV (reprint author), Univ Connecticut, Inst Mat Sci, Polymer Program, Storrs, CT 06269 USA. EM avd@ims.uconn.edu RI MacKintosh, Fred/A-9450-2008; Carrillo, Jan-Michael/K-7170-2013; OI MacKintosh, Fred/0000-0002-2607-9541; Carrillo, Jan-Michael/0000-0001-8774-697X; Dobrynin, Andrey/0000-0002-6484-7409 FU National Science Foundation [DMR-1004576] FX This work was supported by the National Science Foundation under Grant DMR-1004576. The authors would like to thank Prof. M. Williams and Dr. E. Schuster for providing experimental data on pectin networks. NR 43 TC 20 Z9 20 U1 4 U2 113 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD MAY 14 PY 2013 VL 46 IS 9 BP 3679 EP 3692 DI 10.1021/ma400478f PG 14 WC Polymer Science SC Polymer Science GA 147RP UT WOS:000319185000054 ER PT J AU Liu, X Seman, TF Ahn, KH van Veenendaal, M Casa, D Prabhakaran, D Boothroyd, AT Ding, H Hill, JP AF Liu, X. Seman, T. F. Ahn, K. H. van Veenendaal, Michel Casa, D. Prabhakaran, D. Boothroyd, A. T. Ding, H. Hill, J. P. TI Strongly momentum-dependent screening dynamics in La0.5Sr1.5MnO4 observed with resonant inelastic x-ray scattering SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTORS AB We report strongly momentum-dependent short-ranged charge screening dynamics in CE-type charge, orbital, and spin ordered La0.5Sr1.5MnO4, based on Mn K-edge resonant inelastic x-ray scattering data. Through a comparison with theoretical calculations, we show that the observed momentum dependence reflects highly localized, nearest-neighbor screening of the transient local charge perturbation in this compound with an excitonlike screening cloud, rather than delocalized screening. The size of the screening cloud is estimated to be about 0.4-0.5 interatomic distances. C1 [Liu, X.; Hill, J. P.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Liu, X.; Ding, H.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Liu, X.; Ding, H.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Seman, T. F.; Ahn, K. H.] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. [van Veenendaal, Michel; Casa, D.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [van Veenendaal, Michel] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Prabhakaran, D.; Boothroyd, A. T.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. RP Liu, X (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Casa, Diego/F-9060-2016 FU US Department of Energy, Division of Materials Science [DE-AC02-98CH10886]; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-03ER46097]; NIU Institute for Nanoscience, Engineering, and Technology; Computational Materials and Chemical Science Network [DE-FG02-08ER46540, DE-SC0007091]; Argonne X-ray Science Division Visitor Program; US DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; MOST, China [2010CB923000]; UK Engineering and Physical Sciences Research Council FX The work at Brookhaven was supported by the US Department of Energy, Division of Materials Science, under Contract No. DE-AC02-98CH10886. M.v.V. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-FG02-03ER46097 and NIU Institute for Nanoscience, Engineering, and Technology. The collaborations between T.F.S., K.H.A., and M.v.V. were supported by the Computational Materials and Chemical Science Network under Grants No. DE-FG02-08ER46540 and No. DE-SC0007091. K.H.A. is further supported by Argonne X-ray Science Division Visitor Program. Work at Argonne National Laboratory and use of the Advanced Photon Source was supported by the US DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. H.D. was supported by Grant No. 2010CB923000 from MOST, China. Work in Oxford was supported by the UK Engineering and Physical Sciences Research Council. NR 24 TC 1 Z9 1 U1 1 U2 24 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 14 PY 2013 VL 87 IS 20 AR 201103 DI 10.1103/PhysRevB.87.201103 PG 5 WC Physics, Condensed Matter SC Physics GA 145YZ UT WOS:000319057300002 ER PT J AU Kashiwa, K Pisarski, RD AF Kashiwa, Kouji Pisarski, Robert D. TI Roberge-Weiss transition and 't Hooft loops SO PHYSICAL REVIEW D LA English DT Article ID SU(N) GAUGE-THEORY; FINITE-TEMPERATURE; HOT QCD; INTERFACE TENSION; CUBIC ORDER; REAL AB Roberge and Weiss showed that for SU(N) gauge theories, phase transitions occur in the presence of an imaginary quark chemical potential. We show that at asymptotically high temperature, where the phase transition is of first order, that even with dynamical quarks 't Hooft loops of arbitrary Zd(N) charge are well defined at the phase boundary. To leading order in weak coupling, the 't Hooft loop satisfies Casimir scaling in the pure glue theory, but not with quarks. Because the chemical potential is imaginary, typically the interaction measure is negative on one side of the phase transition. Using a matrix model to model the deconfining phase transition, we compute the phase diagram for heavy quarks, in the plane of temperature and imaginary chemical potential. In general we find intersecting lines of first order transitions. Using a modified Polyakov loop which is Roberge-Weiss symmetric, we suggest that the interface tension is related to the 't Hooft loop only at high temperature, where the imaginary part of this Polyakov loop, and not the real part, is discontinuous across the phase boundary. C1 [Kashiwa, Kouji; Pisarski, Robert D.] Brookhaven Natl Lab, RIKEN BNL, Upton, NY 11973 USA. [Pisarski, Robert D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kashiwa, K (reprint author), Brookhaven Natl Lab, RIKEN BNL, Upton, NY 11973 USA. EM kashiwa@ribf.riken.jp; pisarski@bnl.gov NR 63 TC 11 Z9 11 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 14 PY 2013 VL 87 IS 9 AR 096009 DI 10.1103/PhysRevD.87.096009 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 145ZV UT WOS:000319059500007 ER PT J AU Gopalakrishnan, G Holt, MV McElhinny, KM Spalenka, JW Czaplewski, DA Schulli, TU Evans, PG AF Gopalakrishnan, Gokul Holt, Martin V. McElhinny, Kyle M. Spalenka, Josef W. Czaplewski, David A. Schuelli, Tobias U. Evans, Paul G. TI Thermal Diffuse Scattering as a Probe of Large-Wave-Vector Phonons in Silicon Nanostructures SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY; THERMOELECTRIC FIGURE; QUANTUM-WELL; NANOWIRES; SI; CONDUCTIVITY; CONFINEMENT; DISPERSION; TRANSPORT; MODES AB Large-wave-vector phonons have an important role in determining the thermal and electronic properties of nanoscale materials. The small volumes of such structures, however, have posed significant challenges to experimental studies of the phonon dispersion. We show that synchrotron x-ray thermal diffuse scattering can be adapted to probe phonons with wave vectors spanning the entire Brillouin zone of nanoscale silicon membranes. The thermal diffuse scattering signal from flat Si nanomembranes with thicknesses from 315 to 6 nm, and a sample volume as small as 5 mu m(3), has the expected linear dependence on the membrane thickness and also exhibits excess intensity at large wave vectors, consistent with the scattering signature expected from low-lying large-wave-vector modes of the membranes. C1 [Gopalakrishnan, Gokul; McElhinny, Kyle M.; Spalenka, Josef W.; Evans, Paul G.] Univ Wisconsin, Mat Sci & Engn & Mat Sci Program, Madison, WI 53706 USA. [Holt, Martin V.; Czaplewski, David A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Schuelli, Tobias U.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Gopalakrishnan, G (reprint author), Univ Wisconsin, Mat Sci & Engn & Mat Sci Program, Madison, WI 53706 USA. EM gokul@engr.wisc.edu; evans@engr.wisc.edu RI Evans, Paul/A-9260-2009 OI Evans, Paul/0000-0003-0421-6792 FU U.S. Air Force Office of Scientific Research [FA9550-10-1-0249]; European Synchrotron Radiation Facility for initial synchrotron radiation measurements; University of Wisconsin Materials Research Science and Engineering Center, NSF [DMR-1121288]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX G. G., K. M., and P. E. acknowledge support from the U.S. Air Force Office of Scientific Research, through Contract No. FA9550-10-1-0249, and support from the European Synchrotron Radiation Facility for initial synchrotron radiation measurements. J. S. acknowledges support from the University of Wisconsin Materials Research Science and Engineering Center, NSF Grant No. DMR-1121288. M. H. and D. C., as part of the Center for Nanoscale Materials core research program, and use of the Advanced Photon Source were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors gratefully acknowledge Dr. Ralu Divan, at the Center for Nanoscale Materials, and Dr. Rob Ilic, at the Cornell Nanoscale Science and Technology Facility, for assistance with the fabrication of silicon membranes. NR 38 TC 8 Z9 8 U1 1 U2 55 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2013 VL 110 IS 20 AR 205503 DI 10.1103/PhysRevLett.110.205503 PG 5 WC Physics, Multidisciplinary SC Physics GA 146BP UT WOS:000319064100012 PM 25167426 ER PT J AU Blume-Kohout, R Croke, S Zwolak, M AF Blume-Kohout, Robin Croke, Sarah Zwolak, Michael TI Quantum data gathering SO SCIENTIFIC REPORTS LA English DT Article ID STATES; DIFFERENTIATE; INFORMATION AB Measurement of a quantum system - the process by which an observer gathers information about it - provides a link between the quantum and classical worlds. The nature of this process is the central issue for attempts to reconcile quantum and classical descriptions of physical processes. Here, we show that the conventional paradigm of quantum measurement is directly responsible for a well-known disparity between the resources required to extract information from quantum and classical systems. We introduce a simple form of quantum data gathering, "coherent measurement", that eliminates this disparity and restores a pleasing symmetry between classical and quantum statistical inference. To illustrate the power of quantum data gathering, we demonstrate that coherent measurements are optimal and strictly more powerful than conventional one-at-a-time measurements for the task of discriminating quantum states, including certain entangled many-body states (e.g., matrix product states). C1 [Blume-Kohout, Robin] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Croke, Sarah] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada. [Zwolak, Michael] Oregon State Univ, Dept Phys, Corvallis, OR 97331 USA. RP Blume-Kohout, R (reprint author), Sandia Natl Labs, POB 5800,MS 1322, Albuquerque, NM 87185 USA. EM robin@blumekohout.com RI Zwolak, Michael/G-2932-2013 OI Zwolak, Michael/0000-0001-6443-7816 FU US Department of Energy through the LANL/LDRD program; Perimeter Institute for Theoretical Physics; Government of Canada through Industry Canada; Province of Ontario through the Ministry of Research Innovation FX We are grateful for comments by semi-anonymous QIP 2012 referees. This work was supported by the US Department of Energy through the LANL/LDRD program (RBK and MPZ), as well as by Perimeter Institute for Theoretical Physics (RBK and SC). Research at Perimeter Institute is supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Research & Innovation. NR 23 TC 1 Z9 1 U1 0 U2 6 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD MAY 14 PY 2013 VL 3 AR 1800 DI 10.1038/srep01800 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 143BB UT WOS:000318840200001 ER PT J AU Piazza, F Collins, LA Smerzi, A AF Piazza, F. Collins, L. A. Smerzi, A. TI Critical velocity for a toroidal Bose-Einstein condensate flowing through a barrier SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID GAS; VORTEX AB We consider the setup employed in a recent experiment (Ramanathan et al 2011 Phys. Rev. Lett. 106 130401) devoted to the study of the instability of the superfluid flow of a toroidal Bose-Einstein condensate in the presence of a repulsive optical barrier. Using the Gross-Pitaevskii mean-field equation, we observe, consistently with what we found in Piazza et al (2009 Phys. Rev. A 80 021601), that the superflow with one unit of angular momentum becomes unstable at a critical strength of the barrier and decays through the mechanism of phase slippage performed by pairs of vortex-antivortex lines annihilating. While this picture qualitatively agrees with the experimental findings, the measured critical barrier height is not very well reproduced by the Gross-Pitaevskii equation, indicating that thermal fluctuations can play an important role (Mathey et al 2012 arXiv: 1207.0501). As an alternative explanation of the discrepancy, we consider the effect of the finite resolution of the imaging system. At the critical point, the superfluid velocity in the vicinity of the obstacle is always of the order of the sound speed in that region, v(barr) = C-1. In particular, in the hydrodynamic regime (not reached in the above experiment), the critical point is determined by applying the Landau criterion inside the barrier region. On the other hand, the Feynman critical velocity v(f) is much lower than the observed critical velocity. We argue that this is a general feature of the Gross-Pitaevskii equation, where we have v(f) = epsilon C-1 with epsilon being a small parameter of the model. Given these observations, the question still remains open about the nature of the superfluid instability. C1 [Piazza, F.] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. [Collins, L. A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Smerzi, A.] INO CNR, QSTAR, I-50125 Florence, Italy. [Smerzi, A.] LENS, I-50125 Florence, Italy. RP Piazza, F (reprint author), Tech Univ Munich, Dept Phys, James Franck Str, D-85748 Garching, Germany. EM francesco.piazza@ph.tum.de RI Piazza, Francesco/H-3840-2012 OI Piazza, Francesco/0000-0003-1332-6627 FU Los Alamos National Security, LLC for the National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396]; LANL institutional computing grant; Alexander Von Humboldt foundation; EU-STREP Project QIBEC; Los Alamos National Laboratory FX We would like to thank A Recati for fruitful discussions. FP acknowledges support from the Alexander Von Humboldt foundation. AS acknowledges support from the EU-STREP Project QIBEC. This work was supported the Los Alamos National Laboratory, 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, with computer resources provided by an LANL institutional computing grant. NR 31 TC 20 Z9 20 U1 2 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD MAY 14 PY 2013 VL 46 IS 9 AR 095302 DI 10.1088/0953-4075/46/9/095302 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 132LW UT WOS:000318070800010 ER PT J AU Bazavov, A Petreczky, P AF Bazavov, A. Petreczky, P. TI Polyakov loop in 2+1 flavor QCD SO PHYSICAL REVIEW D LA English DT Article ID RELATIVIZED QUARK-MODEL; SU(2) GAUGE-THEORY; HEAVY-QUARK; MONTE-CARLO; TEMPERATURE; MESONS; CHROMODYNAMICS; SIMULATIONS AB We study the temperature dependence of the renormalized Polyakov loop in 2 + 1 flavor QCD for temperatures T < 210 MeV. We extend previous calculations by the HotQCD Collaboration using the highly improved staggered quark action and perform a continuum extrapolation of the renormalized Polyakov loop. We compare the lattice results with the prediction of noninteracting static-light hadron resonance gas, which describes the temperature dependence of the renormalized Polyakov loop up to T < 140 MeV but fails above that temperature. Furthermore, we discuss the temperature dependence of the light and strange quark condensates. C1 [Bazavov, A.; Petreczky, P.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Bazavov, A (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 45 TC 20 Z9 20 U1 0 U2 0 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 MAY 14 PY 2013 VL 87 IS 9 AR 094505 DI 10.1103/PhysRevD.87.094505 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 145ZV UT WOS:000319059500002 ER PT J AU Baloch, KH Johnston-Peck, AC Kisslinger, K Stach, EA Gradecak, S AF Baloch, Kamal H. Johnston-Peck, Aaron C. Kisslinger, Kim Stach, Eric A. Gradecak, Silvija TI Revisiting the "In-clustering" question in InGaN through the use of aberration-corrected electron microscopy below the knock-on threshold SO APPLIED PHYSICS LETTERS LA English DT Article ID ENERGY-LOSS SPECTROSCOPY; QUANTUM-WELL-STRUCTURE; LIGHT-EMITTING-DIODES; LASER-DIODES; INDIUM; GAN AB The high intensity of light emitted in InxGa1-xN/GaN heterostructures has been generally attributed to the formation of indium-rich clusters in InxGa1-xN quantum wells (QWs). However, there is significant disagreement about the existence of such clusters in as-grown InxGa1-xN QWs. We employ atomically resolved C-S-corrected scanning transmission electron microscopy and electron energy loss spectroscopy at 120 kV-which we demonstrate to be below the knock-on displacement threshold-and show that indium clustering is not present in as-grown In0.22Ga0.78N QWs. This artifact-free, atomically resolved method can be employed for investigating compositional variations in other InxGa1-xN/GaN heterostructures. (C) 2013 AIP Publishing LLC. C1 [Baloch, Kamal H.] MIT, Elect Res Lab, Cambridge, MA 02139 USA. [Johnston-Peck, Aaron C.; Kisslinger, Kim; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Gradecak, Silvija] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. RP Baloch, KH (reprint author), MIT, Elect Res Lab, Cambridge, MA 02139 USA. EM estach@bnl.gov; gradecak@mit.edu RI Stach, Eric/D-8545-2011; Kisslinger, Kim/F-4485-2014 OI Stach, Eric/0000-0002-3366-2153; FU Center for Excitonics, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001088]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; MRSEC Program of the National Science Foundation [DMR-0213282] FX The authors acknowledge Professor Colin J. Humphreys for providing the samples and Dr. Dong Su and Professor Marc Baldo for useful discussions. This work was supported by The Center for Excitonics, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0001088. The research at the Center for Functional Nanomaterials, Brookhaven National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors acknowledge access to Shared Experimental Facilities provided by the MIT Center for Materials Science Engineering supported in part by the MRSEC Program of the National Science Foundation under Award No. DMR-0213282. NR 29 TC 24 Z9 24 U1 1 U2 42 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 191910 DI 10.1063/1.4807122 PG 4 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800034 ER PT J AU Kim, J Haberkorn, N Kim, S Civale, L Dowden, PC Movshovich, R AF Kim, Jeehoon Haberkorn, N. Kim, Suenne Civale, L. Dowden, P. C. Movshovich, R. TI Ferromagnetic bubble clusters in Y0.67Ca0.33MnO3 thin films SO APPLIED PHYSICS LETTERS LA English DT Article ID GD2/3CA1/3MNO3; TRANSPORT AB We studied the ferromagnetic domains and the presence of phase coexistence in a Y0.67Ca0.33MnO3 thin film with a combination of magnetic force microscopy and magnetization measurements. Our results show that the spin glass-like behavior, reported previously for this system, could be attributed to frustrated interfaces of the bubble-like ferromagnetic clusters embedded in a non-ferromagnetic matrix. We found temperature dependent changes of the magnetic domains at low temperatures, which suggest a non-static Mn3+/Mn4+ ratio. (C) 2013 AIP Publishing LLC. C1 [Kim, Jeehoon; Civale, L.; Dowden, P. C.; Movshovich, R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Haberkorn, N.] Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. [Kim, Suenne] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. RP Kim, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jeehoon@lanl.gov OI Civale, Leonardo/0000-0003-0806-3113 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX We thank J. O. Willis for providing useful comments. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. N.H. is a member of CONICET (Argentina). NR 27 TC 0 Z9 0 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 192409 DI 10.1063/1.4806967 PG 4 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800060 ER PT J AU Petti, D Albisetti, E Reichlova, H Gazquez, J Varela, M Molina-Ruiz, M Lopeandia, AF Olejnik, K Novak, V Fina, I Dkhil, B Hayakawa, J Marti, X Wunderlich, J Jungwirth, T Bertacco, R AF Petti, D. Albisetti, E. Reichlova, H. Gazquez, J. Varela, M. Molina-Ruiz, M. Lopeandia, A. F. Olejnik, K. Novak, V. Fina, I. Dkhil, B. Hayakawa, J. Marti, X. Wunderlich, J. Jungwirth, T. Bertacco, R. TI Storing magnetic information in IrMn/MgO/Ta tunnel junctions via field-cooling SO APPLIED PHYSICS LETTERS LA English DT Article AB In this paper, we demonstrate that in Ta/MgO/IrMn tunneling junctions, containing no ferromagnetic elements, distinct metastable resistance states can be set by field cooling the devices from above the Neel temperature (T-N) along different orientations. Variations of the resistance up to 10% are found upon field cooling in applied fields, in-plane or out-of-plane. Well below T-N, these metastable states are insensitive to magnetic fields up to 2 T, thus constituting robust memory states. Our work provides the demonstration of an electrically readable magnetic memory device, which contains no ferromagnetic elements and stores the information in an antiferromagnetic active layer. (C) 2013 AIP Publishing LLC. C1 [Petti, D.; Albisetti, E.; Bertacco, R.] Politecn Milan, Dipartimento Fis, LNESS, I-22100 Como, Italy. [Reichlova, H.; Olejnik, K.; Novak, V.; Marti, X.; Wunderlich, J.; Jungwirth, T.] ASCR, Vvi, Inst Phys, Prague 16253 6, Czech Republic. [Reichlova, H.; Marti, X.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague 2, Czech Republic. [Gazquez, J.; Fina, I.] Univ Autonoma Barcelona, ICMAB CSIC, Inst Ciencia Mat Barcelona, Bellaterra 08193, Spain. [Varela, M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. [Varela, M.] Univ Complutense Madrid, E-28040 Madrid, Spain. [Varela, M.; Molina-Ruiz, M.] Univ Autonoma Barcelona, Dept Fis, Bellaterra 08193, Spain. [Dkhil, B.] Ecole Cent Paris, Lab Struct Proprietes & Modelisat Solides, CNRS, UMR 8580, F-92295 Chatenay Malabry, France. [Hayakawa, J.] Hitachi Ltd, Adv Res Lab, Kokubunju, Tokyo 1858601, Japan. [Marti, X.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Wunderlich, J.] Hitachi Cambridge Lab, Cambridge CB3 0HE, England. [Jungwirth, T.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. RP Petti, D (reprint author), Politecn Milan, Dipartimento Fis, LNESS, Via Anzani 42, I-22100 Como, Italy. EM xaviermarti@berkeley.edu RI Lopeandia, Aitor/G-1859-2016; Reichlova, Helena/H-4629-2014; Petti, Daniela/B-1659-2012; Gazquez, Jaume/C-5334-2012; Marti, Xavier/E-1103-2014; Varela, Maria/E-2472-2014; Novak, Vit/G-6844-2014; Olejnik, Kamil/I-7085-2012; Wunderlich, Joerg/G-6918-2014; Jungwirth, Tomas/G-8952-2014; Varela, Maria/H-2648-2012; Dkhil, Brahim/O-8939-2014; Fina, Ignasi/G-2210-2011; Molina Ruiz, Manel/O-1545-2015; Albisetti, Edoardo/F-5374-2016 OI Bertacco, Riccardo/0000-0002-8109-9166; Lopeandia, Aitor/0000-0003-0566-8299; Petti, Daniela/0000-0002-9273-1884; Gazquez, Jaume/0000-0002-2561-328X; Marti, Xavier/0000-0003-1653-5619; Varela, Maria/0000-0002-6582-7004; Jungwirth, Tomas/0000-0002-9910-1674; Dkhil, Brahim/0000-0001-6155-059X; Fina, Ignasi/0000-0003-4182-6194; Molina Ruiz, Manel/0000-0003-4892-3042; Albisetti, Edoardo/0000-0002-8134-0482 FU EU ERC [268066]; Ministry of Education of the Czech Republic [LM2011026]; Academy of Sciences of the Czech Republic Preamium Academiae; Czech Science Foundation [P204/11/P339]; JAE CSIC; U.S. Department of Energy (DOE); Basic Energy Sciences (BES); Materials Sciences and Engineering Division; ORNL's Shared Research Equipment (ShaRE) User Program; DOE-BES; ERC; Marie Curie European Reintegration Grant; European Community; MICINN; Government of Catalonia [MAT2010-15202, SGR2009-01225]; FIRB [RBAP115AYN] FX We acknowledge fruitful discussions with G. Catalan, Jiun-Haw Chu, J. T. Heron, and support from EU ERC Advanced Grant No. 268066, Ministry of Education of the Czech Republic Grant No. LM2011026, Academy of Sciences of the Czech Republic Preamium Academiae, Czech Science Foundation Grant P204/11/P339, and the JAE CSIC Grant. Research at ORNL supported by the U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Sciences and Engineering Division, and through a user project supported by ORNL's Shared Research Equipment (ShaRE) User Program, which is also sponsored by DOE-BES. Research at U. complutense supported by the ERC Starting Investigator Award "STEMOX." Research at Universitat Autonoma de Barcelona supported by a Marie Curie European Reintegration Grant within the 7th European Community Framework Programme, by the MICINN and by the Government of Catalonia through the Project Nos. MAT2010-15202 and SGR2009-01225, respectively. D. Petti, E. Albisetti, and R. Bertacco acknowledge financial support via the project FIRB "Ossidi nano strutturati: multifunzionalita e applicazioni" (RBAP115AYN). NR 12 TC 26 Z9 26 U1 2 U2 47 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 192404 DI 10.1063/1.4804429 PG 4 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800055 ER PT J AU Pollard, S Malac, M Beleggia, M Kawasaki, M Zhu, YM AF Pollard, Shawn Malac, Marek Beleggia, Marco Kawasaki, Masahiro Zhu, Yimei TI Magnetic imaging with a Zernike-type phase plate in a transmission electron microscope SO APPLIED PHYSICS LETTERS LA English DT Article ID HOLOGRAPHY; CONTRAST AB We demonstrate the use of a hole-free phase plate (HFPP) for magnetic imaging in transmission electron microscopy by mapping the domain structure in PrDyFeB samples. The HFPP, a Zernike-like imaging method, allows for detecting magnetic signals in-focus to correlate the sample crystal structure and defects with the local magnetization topography, and to evidence stray fields protruding from the sample. Experimental and simulated results are shown and are compared with conventional Fresnel (out-of-focus) images without a phase plate. A key advantage of HFPP imaging is that the technique is free from the reference wave distortion from long-range fields affecting electron holography. C1 [Pollard, Shawn; Zhu, Yimei] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Pollard, Shawn; Zhu, Yimei] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Malac, Marek] Natl Inst Nanotechnol, Edmonton, AB T6G 2M9, Canada. [Beleggia, Marco] Tech Univ Denmark, Ctr Electron Nanoscopy, DK-2800 Lyngby, Denmark. [Kawasaki, Masahiro] JEOL Ltd, Tokyo 1968558, Japan. RP Pollard, S (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. EM mmalac@ualberta.ca RI Pollard, Shawn/H-2722-2012; Pollard, Shawn/I-5360-2015; OI Beleggia, Marco/0000-0002-2888-1888; Pollard, Shawn/0000-0001-9691-0997 FU U.S. Department of Energy, Office of Basic Energy Science, Material Sciences and Engineering Division [DE-AC02-98CH10886]; National Research Council; NSERC in Canada FX Experimental work was carried out at the Department of Condensed Matter Physics and Material Science, Brookhaven National Laboratory, and was supported by the U.S. Department of Energy, Office of Basic Energy Science, Material Sciences and Engineering Division, under Contract No. DE-AC02-98CH10886. Support of National Research Council and NSERC in Canada is gratefully acknowledged. NR 19 TC 2 Z9 2 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 192401 DI 10.1063/1.4803908 PG 4 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800052 ER PT J AU Rosenberg, RA Choi, Y Vijayalakshmi, K Kareev, M Tchakhalian, J Balaz, S Brillson, LJ AF Rosenberg, R. A. Choi, Y. Vijayalakshmi, K. Kareev, M. Tchakhalian, J. Balaz, Snjezana Brillson, L. J. TI Depth resolved studies of SrTiO3 defects using x-ray excited optical luminescence and cathodoluminescence SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYOGENIC TEMPERATURES; DIELECTRIC-PROPERTIES; GALLIUM-ARSENIDE; PHOTOLUMINESCENCE; GAN; EXCITATION; FILMS; SPECTROSCOPY; DEPENDENCE; INTERFACES AB We have performed comparative depth-dependent x-ray excited optical luminescence (XEOL) and depth resolved cathodoluminescence spectroscopy measurements in order to understand the native point defect distribution in three SrTiO3 samples. Both techniques found surface segregation of Ti3+ defects, but apparent differences in the oxygen vacancy distribution. Due to the lower excitation flux densities employed in XEOL, there is a delayed onset ("dead layer") revealed in the oxygen defect depth distribution, which results from band bending near the surface. By modeling the data, we are able to estimate the Ti3+ depth distribution and the depletion layer width. (C) 2013 AIP Publishing LLC. C1 [Rosenberg, R. A.; Choi, Y.; Vijayalakshmi, K.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Kareev, M.; Tchakhalian, J.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Balaz, Snjezana; Brillson, L. J.] Ohio State Univ, Dept Elect & Comp Engn, Columbus, OH 43210 USA. [Balaz, Snjezana; Brillson, L. J.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. RP Rosenberg, RA (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Naval Research [N00014-10-1-0896]; The Ohio State University Center for Emergent Materials, National Science Foundation Materials Research and Engineering Center under NSF [DMR-0820414] FX The work performed at the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. L.J.B. acknowledges partial support from Office of Naval Research Grant No. N00014-10-1-0896 (Dan Green) and The Ohio State University Center for Emergent Materials, a National Science Foundation Materials Research and Engineering Center under NSF Grant No. DMR-0820414 (Charles Ying). NR 44 TC 1 Z9 1 U1 2 U2 42 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 192910 DI 10.1063/1.4807117 PG 5 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800077 ER PT J AU Vlaminck, V Schultheiss, H Pearson, JE Fradin, FY Bader, SD Hoffmann, A AF Vlaminck, Vincent Schultheiss, Helmut Pearson, John E. Fradin, Frank Y. Bader, Sam D. Hoffmann, Axel TI Mapping microwave field distributions via the spin Hall effect (vol 101, 252406, 2012) SO APPLIED PHYSICS LETTERS LA English DT Correction C1 [Vlaminck, Vincent; Schultheiss, Helmut; Pearson, John E.; Fradin, Frank Y.; Bader, Sam D.; Hoffmann, Axel] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Bader, Sam D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Vlaminck, V (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Hoffmann, Axel/A-8152-2009 OI Hoffmann, Axel/0000-0002-1808-2767 NR 1 TC 0 Z9 0 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 199901 DI 10.1063/1.4807019 PG 2 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800132 ER PT J AU Yin, WJ Wu, YL Noufi, R Al-Jassim, M Yan, YF AF Yin, Wan-Jian Wu, Yelong Noufi, Rommel Al-Jassim, Mowafak Yan, Yanfa TI Defect segregation at grain boundary and its impact on photovoltaic performance of CuInSe2 SO APPLIED PHYSICS LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; CU(IN,GA)SE-2 THIN-FILMS; AUGMENTED-WAVE METHOD; BASIS-SET; SEMICONDUCTORS; EFFICIENCY AB Defect segregations at grain boundaries (GBs) of polycrystalline thin-film absorber are crucial to solar cell performance. The Sigma 3(114) GBs in CuInSe2 (CIS) have been studied through first-principle calculations. We reveal that the intrinsic CIS GBs produce deep gap states, which act as nonradiative recombination centers. However, the segregation of Cu-In and O-Se at GBs can clean the gap states and lead to electrically benign behavior. Our results suggest that the defect segregation at GBs could be an important feature for high efficiency CIS-based photovoltaic solar cells and it provides a general guidance for engineering GBs in other chalcogenide polycrystalline devices. (C) 2013 AIP Publishing LLC. C1 [Yin, Wan-Jian; Wu, Yelong; Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. [Yin, Wan-Jian; Wu, Yelong; Yan, Yanfa] Univ Toledo, Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA. [Noufi, Rommel; Al-Jassim, Mowafak] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yin, WJ (reprint author), Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. EM wanjian.yin@utoledo.edu; yanfa.yan@utoledo.edu RI Yin, Wanjian/F-6738-2013; Wu, Yelong/G-1100-2010 OI Wu, Yelong/0000-0002-4211-911X FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC36-08GO28308]; Ohio Research Scholar Program (ORSP) FX This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Work at NREL was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. Y.Y. acknowledges the support from the Ohio Research Scholar Program (ORSP). NR 29 TC 18 Z9 18 U1 1 U2 52 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 13 PY 2013 VL 102 IS 19 AR 193905 DI 10.1063/1.4804606 PG 4 WC Physics, Applied SC Physics GA 164WB UT WOS:000320440800124 ER PT J AU Dong, S Dagotto, E AF Dong, Shuai Dagotto, Elbio TI Quantum confinement induced magnetism in LaNiO3-LaMnO3 superlattices SO PHYSICAL REVIEW B LA English DT Article ID OXIDE INTERFACES; ELECTRONICS; PHASE; STATES AB The emergence of magnetic reconstructions at the interfaces of oxide heterostructures are often explained via subtle modifications in the electronic densities, exchange couplings, or strain. Here, an additional possible route for induced magnetism is studied in the context of the (LaNiO3)(n) /(LaMnO3)(n) superlattices using a hybrid tightbinding model. In the LaNiO3 region, the induced magnetizations decouple from the intensity of charge leakage from Mn to Ni, but originate from the spin-filtered quantum confinement present in these nanostructures. In general, the induced magnetization is the largest for the (111)-stacking and the weakest for the (001)-stacking superlattices; results compatible with the exchange bias effects reported byGibert et al. C1 [Dong, Shuai; Dagotto, Elbio] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Dong, Shuai; Dagotto, Elbio] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Dong, Shuai] Southeast Univ, Dept Phys, Nanjing 211189, Jiangsu, Peoples R China. RP Dong, S (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RI Dong (董), Shuai (帅)/A-5513-2008 OI Dong (董), Shuai (帅)/0000-0002-6910-6319 FU 973 Projects of China [2011CB922101]; NSFC [11004027, 11274060]; NCET; RFDP; National Science Foundation [DMR-1104386]; US DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX We thank J.-M. Triscone, P. Zubko, M. Gibert, and A. Ruegg for helpful discussions. S.D. was supported by the 973 Projects of China (2011CB922101), NSFC (11004027, 11274060), NCET, and RFDP. The visit of S.D. to the University of Tennessee was supported in part by the National Science Foundation Grant No. DMR-1104386. E.D. was supported by the US DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. NR 46 TC 25 Z9 25 U1 2 U2 46 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 13 PY 2013 VL 87 IS 19 AR 195116 DI 10.1103/PhysRevB.87.195116 PG 7 WC Physics, Condensed Matter SC Physics GA 145YO UT WOS:000319056200002 ER PT J AU Ren, JF Vukmirovic, N Wang, LW AF Ren, Junfeng Vukmirovic, Nenad Wang, Lin-Wang TI Nonadiabatic molecular dynamics simulation for carrier transport in a pentathiophene butyric acid monolayer SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ORGANIC SEMICONDUCTORS; INELASTIC COLLISIONS; SEMICLASSICAL THEORY; CHARGE-TRANSFER; ENERGY-TRANSFER; BAND-STRUCTURE; MIXED QUANTUM; CRYSTAL; MOTION AB We present a large-scale nonadiabatic molecular dynamics simulation to study carrier transport in an organic monolayer. This simulation calculates a 4802-atom system for 825 fs in about 3 h using 51 744 computer cores, while deploying a plane-wave pseudopotential density-functional theory Hamiltonian. A new approach is developed that makes such large-scale calculation possible. Our simulation on the pentathiophene butyric acid monolayer reveals the mechanism for the carrier transport in the system: the hole wave functions are localized by thermal fluctuation-induced disorder, while the hole transport is via charge transfer during state energy crossing. The simulation also shows that the system is never in a thermodynamic equilibrium in terms of adiabatic-state populations according to Boltzmann distribution. C1 [Ren, Junfeng; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ren, Junfeng] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China. [Vukmirovic, Nenad] Univ Belgrade, Inst Phys Belgrade, Comp Sci Lab, Belgrade 11080, Serbia. RP Ren, JF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd,Mail Stop 66, Berkeley, CA 94720 USA. EM lwwang@lbl.gov RI Vukmirovic, Nenad/D-9489-2011 OI Vukmirovic, Nenad/0000-0002-4101-1713 FU Office of Science (SC); Basic Energy Sciences; Materials Sciences Engineering Division of the US Department of Energy [DE-AC02-05CH11231]; SC of the Department of Energy [DE-AC05-00OR22725]; European Community FP7 Marie Curie Career Integration; Serbian Ministry of Science [ON171017]; FP7 Projects PRACE-2IP; PRACE-3IP; HP-SEE; EGI-InSPIRE FX We thank F. Martin, B. L. M. Hendriksen, and M. Salmeron for stimulating discussions. J. F. Ren and L.-W. Wang were supported by the Office of Science (SC), Basic Energy Sciences, and Materials Sciences Engineering Division of the US Department of Energy under Contract No. DE-AC02-05CH11231. This research used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences (NCCS) at Oak Ridge National Laboratory, which is supported by the SC of the Department of Energy under Contract No. DE-AC05-00OR22725. The computer time was allocated by the Department of Energy's Innovative and Novel Computational Impact on Theory and Experiment program. N. Vukmirovic was supported by European Community FP7 Marie Curie Career Integration Grant (ELECTROMAT), Serbian Ministry of Science (ON171017), and FP7 Projects PRACE-2IP, PRACE-3IP, HP-SEE, and EGI-InSPIRE. NR 92 TC 17 Z9 17 U1 0 U2 30 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 MAY 13 PY 2013 VL 87 IS 20 AR 205117 DI 10.1103/PhysRevB.87.205117 PG 14 WC Physics, Condensed Matter SC Physics GA 145YQ UT WOS:000319056400006 ER PT J AU Yamaoka, H Tsujii, N Utsumi, Y Sato, H Jarrige, I Yamamoto, Y Lin, JF Hiraoka, N Ishii, H Tsuei, KD Mizuki, J AF Yamaoka, Hitoshi Tsujii, Naohito Utsumi, Yuki Sato, Hitoshi Jarrige, Ignace Yamamoto, Yoshiya Lin, Jung-Fu Hiraoka, Nozomu Ishii, Hirofumi Tsuei, Ku-Ding Mizuki, Jun'ichiro TI Valence transitions in the heavy-fermion compound YbCuAl as a function of temperature and pressure SO PHYSICAL REVIEW B LA English DT Article ID PHASE-TRANSITION; YB; YBXIN1-XCU2; ELECTRON; STATE; RESISTIVITY; EXPANSION; YBINCU4; LATTICE; FIELD AB We report on direct measurements of the Yb valence in the heavy Fermion compound YbCuAl as a function of temperature and pressure using resonant x-ray emission spectroscopy. The increase of the Yb2+ component at T < 100 K and ambient pressure, well described by the single impurity Anderson model, is found to compensate for the thermal contraction of the unit cell volume. Under pressure, the Yb valence increases continuously up to 25 GPa, albeit a marked leveling off close to the critical pressure, at P >= 13 GPa. This finding is reminiscent of a recent report on YbCu2Si2 and further confirms the interplay between electronic and magnetic fluctuations near the magnetic instability point of rare-earth intermediate-valence materials. C1 [Yamaoka, Hitoshi] RIKEN SPring 8, Sayo, Hyogo 6795148, Japan. [Tsujii, Naohito] Natl Inst Mat Sci, Quantum Beam Ctr, Tsukuba, Ibaraki 3050047, Japan. [Utsumi, Yuki] Hiroshima Univ, Grad Sch Sci, Higashihiroshima 7398526, Japan. [Sato, Hitoshi] Hiroshima Univ, Hiroshima Synchrotron Radiat Ctr, Higashihiroshima 7390046, Japan. [Jarrige, Ignace] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Yamamoto, Yoshiya; Mizuki, Jun'ichiro] Kwansei Gakuin Univ, Grad Sch Sci & Technol, Sanda, Hyogo 6691337, Japan. [Lin, Jung-Fu] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [Hiraoka, Nozomu; Ishii, Hirofumi; Tsuei, Ku-Ding] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. [Mizuki, Jun'ichiro] SPring 8, Japan Atom Energy Agcy, Sayo, Hyogo 6795148, Japan. RP Yamaoka, H (reprint author), RIKEN SPring 8, Sayo, Hyogo 6795148, Japan. RI Lin, Jung-Fu/B-4917-2011; Jarrige, Ignace/M-6371-2016; Tsujii, Naohito/H-2544-2011 OI Jarrige, Ignace/0000-0002-1043-5695; Tsujii, Naohito/0000-0002-6181-5911 FU Scientific research (KAKENHI) [22540343, 23540411]; Japan Society for the Promotion of Science; part of EFree, an Energy Frontier Research Center; US Department of Energy Office of Science, Office of Basic Energy Sciences [DE-SC0001057] FX The experiments were performed at SPring-8 Taiwan beamline BL12XU under SPring-8 Proposals No. 2011B4260 No. 2011-2-021-2 and No. 2011-2-021-4. This work is partly supported by Grants in Aid for Scientific research (KAKENHI Kiban C No. 22540343 and No. 23540411) from the Japan Society for the Promotion of Science. This work at UT Austin was supported as part of EFree, an Energy Frontier Research Center funded by the US Department of Energy Office of Science, Office of Basic Energy Sciences under Award DE-SC0001057. The authors thank B. Shalab and L. Dafov for editing the manuscript. NR 42 TC 7 Z9 7 U1 0 U2 31 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 13 PY 2013 VL 87 IS 20 AR 205120 DI 10.1103/PhysRevB.87.205120 PG 7 WC Physics, Condensed Matter SC Physics GA 145YQ UT WOS:000319056400009 ER PT J AU Lin, SZ Reichhardt, C Batista, CD Saxena, A AF Lin, Shi-Zeng Reichhardt, Charles Batista, Cristian D. Saxena, Avadh TI Driven Skyrmions and Dynamical Transitions in Chiral Magnets SO PHYSICAL REVIEW LETTERS LA English DT Article ID ANISOTROPIC SUPEREXCHANGE INTERACTION; LANDAU-LIFSHITZ EQUATION; WEAK FERROMAGNETISM; CRYSTALS; LATTICE; MOTION; STATES AB We study the dynamics of Skyrmions in chiral magnets in the presence of a spin polarized current. The motion of Skyrmions in the ferromagnetic background excites spin waves and contributes to additional damping. At a large current, the spin wave spectrum becomes gapless and Skyrmions are created dynamically from the ferromagnetic state. At an even higher current, these Skyrmions are strongly deformed due to the damping and become unstable at a threshold current, leading to a chiral liquid. We show how Skyrmions can be created by increasing the current in the magnetic spiral state. We then construct a dynamic phase diagram for a chiral magnet with a current. The instability transitions between different states can be observed as experimentally clear signatures in the transport measurements, such as jumps and hysteresis. C1 [Lin, Shi-Zeng; Reichhardt, Charles; Batista, Cristian D.; Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lin, SZ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Lin, Shi-Zeng/B-2906-2008; Batista, Cristian/J-8008-2016 OI Lin, Shi-Zeng/0000-0002-4368-5244; FU Institutional Computing Program in LANL; NNSA of the U.S. DOE at LANL [DE-AC52-06NA25396]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX We thank Christian Pfleiderer, Shinichiro Seki, Ivar Martin, Yasuyuki Kato, and Leonardo Civale for useful discussions and Cynthia Reichhardt for a critical reading of the manuscript. Computer resources for numerical calculations were supported by the Institutional Computing Program in LANL. This work was carried out under the auspices of the NNSA of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396 and was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. NR 31 TC 41 Z9 41 U1 2 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 13 PY 2013 VL 110 IS 20 AR 207202 DI 10.1103/PhysRevLett.110.207202 PG 5 WC Physics, Multidisciplinary SC Physics GA 146AX UT WOS:000319062300023 PM 25167443 ER PT J AU Perez, D Luo, SN Voter, AF Germann, TC AF Perez, Danny Luo, Sheng-Nian Voter, Arthur F. Germann, Timothy C. TI Entropic Stabilization of Nanoscale Voids in Materials under Tension SO PHYSICAL REVIEW LETTERS LA English DT Article ID ACCELERATED MOLECULAR-DYNAMICS; METALS; GROWTH AB While preexisting defects are known to act as nucleation sites for plastic deformation in shocked materials, the kinetics of the early stages of plastic yield are still poorly understood. We use atomistic simulation techniques to investigate the kinetics of plastic yield around small preexisting voids in copper single crystals under uniaxial tensile strain. We demonstrate that at finite temperatures, these voids are stabilized by strong entropic effects that confer them significant lifetimes even when the static mechanical instability limit is exceeded. By virtue of its entropic nature, this effect is shown to be proportionally stronger at higher temperatures. Even accounting for thermal activation, very small voids prove to be extremely inefficient nucleation sites for plasticity. C1 [Perez, Danny; Voter, Arthur F.; Germann, Timothy C.] Los Alamos Natl Lab, Theoret Div T1, Los Alamos, NM 87545 USA. [Luo, Sheng-Nian] Los Alamos Natl Lab, Phys Div P25, Los Alamos, NM 87545 USA. [Luo, Sheng-Nian] Peac Inst Multiscale Sci, Chengdu 610064, Sichuan, Peoples R China. [Luo, Sheng-Nian] Sichuan Univ, Chengdu 610064, Sichuan, Peoples R China. RP Perez, D (reprint author), Los Alamos Natl Lab, Theoret Div T1, POB 1663, Los Alamos, NM 87545 USA. EM danny_perez@lanl.gov RI Luo, Sheng-Nian /D-2257-2010; OI Luo, Sheng-Nian /0000-0002-7538-0541; Germann, Timothy/0000-0002-6813-238X; Voter, Arthur/0000-0001-9788-7194 FU Laboratory Directed Research and Development program at Los Alamos National Laboratory (LANL) [LDRD-20090035DR]; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX We thank James Hammerberg, Brad Holian, Ramon Ravelo, Davis Tonks, Steve Valone, and Jian Wang for useful discussions. This work was supported by the Laboratory Directed Research and Development program at Los Alamos National Laboratory (LANL) under Project No. LDRD-20090035DR. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under Contract No. DE-AC52-06NA25396. NR 25 TC 3 Z9 3 U1 3 U2 47 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 13 PY 2013 VL 110 IS 20 AR 206001 DI 10.1103/PhysRevLett.110.206001 PG 5 WC Physics, Multidisciplinary SC Physics GA 146AX UT WOS:000319062300016 PM 25167430 ER EF